I took a look at Nagy, and I think what is wrong here is that his eyes are not in the proper position, nor is his mouth (and by that I mean teeth really). Looking at the model in-game the eyes seem to slightly clip with the eye-sockets/lids or whatever and there are a few cases where the bottom row of teeth (or the gums or whatever) clip on the chin. I tried to Nif-Swap him on to Alexander and that did not work. So I think the following things are going on:
1) It seems that the original model was formed from either the Rufus T. Firefly LH by CFK or the Trudeau LH by Bernie.
2) In my experience, when you model an LH from a premade LH it is important to know the process used to create it. At this point I can not do much to fix this LH because I can't resculpt the head the way you did, I am not good at doing that (I am capable of making minor adjustments, but to completely reconfigure the head the way you did is beyond my abilities and, quite frankly, beyond my available time).
3) In all honesty the issues are quite small, and the LH doesn't look horrible as it is now. If you want to fix it you might have to go back to the drawing board. What you should do is look to the original model used, I'm guessing you used Rufus T. Firefly. Did you check that it worked to begin with? Are these problems apparent in the RTF LH as well? If they are the problem is in the original model and not a whole lot can really be done to correct them. What you should do in this case is open up the original Rufus T. Firefly in Blender and try to correct the issues there (make the head a little bigger so the eyes don't clip with the lids, and do the same with the chin.
I know this sounds like pretty bad news, and in a way it is. But the only way to learn is by making mistakes. If the Rufus T. Firefly LH has the same problems that this one has then there is little you can do unless you really want to learn to make leaderheads and learn all of the tricks of the trade. I did manage to change the camera and BG a little bit so the leader looks a bit more prominent in the diplomacy screen. So I at least was able to manage that part. This isn't completely over, but an overhaul is certainly in order. Now what I think occured was this; CFK used Trudeau (who was based on Alexander) to make Firefly. He altered the face in a way that caused clipping, you took this LH and in turn altered it yourself (I am not sure if you resculpted the face as I am not familiar with the Rufus T. Firefly LH). So there is a double alteration here from the original Alexander. A NifSwap did not work on Alexander and I am not entirely sure why as I have never seen this recursive error message that pops up in my leaderhead expereince.
I basically have two suggestions here. The first is that you check the Rufus T. Firefly LH you based this on, in game, and see if the same issues pop up. If they do not you are in a good position because it simply means you need to go back and attempt the LH over again. Try NifSwapping it on to Alexander rather than Rufus. If this does not work try NifSwapping it on to Trudeau (although it is always better to NifSwap on to the original model), if this does not work try NifSwapping on to Rufus (although this is the least desireable option). Then test it in-game again. If you encounter the same problems you will probably have to start over. The second option I'd suggest is to try and recreate this LH from the Trudeau LH, the reason I suggest this is because it is going to be hard to sculpt the face from Alexander into Nagy without good experience which I am assuming you don't have much of. Another reason I suggest this second option is because Trudeau, as far as I know, was the LH that the Rufus T. Firefly LH was based on to begin with and you MIGHT find it easier to sculpt in Blender. If you are able to successfully accomplish this try the NifSwap on Alexander rather than Trudeau, if that does not work this may be a lost cause which brings us to the third, and ultimately least disireable, option; start from scratch.
I know it isn't great news, but as I said the problems are not THAT terrible. If you want to skip all of these steps and just go with the Nagy you have I altered the camera a bit so I think it looks a little better. Here is the LH with the new camera settings... Sorry I couldn't do more for you but its hard to work with a leaderhead based on a leaderhead based on a leaderhead based on a leaderhead.