NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 A 4.3800 8.1233 123.5857 51.3859 20.7884 178.5167 20 K 3.9497 7.9195 116.2708 57.1626 31.8720 177.3131 21 D 4.3901 8.2242 119.7642 56.4338 39.9031 178.1432 22 K 4.0025 8.4051 121.6892 58.8463 32.1911 178.3526 23 E 3.9648 8.6581 120.1668 59.3340 29.5062 178.6470 24 F 4.2522 8.5652 120.7563 61.4473 39.4512 177.0965 25 Q 3.9393 8.4783 117.8216 58.9235 28.4224 179.0172 26 V 3.5978 8.2144 119.6249 66.0211 31.5385 178.1098 27 L 3.9858 8.1060 118.8060 57.5686 41.3406 179.2545 28 F 3.4256 8.2591 120.8481 61.0505 39.2347 177.2735 29 V 3.2683 7.8354 117.7683 65.9866 31.3014 177.8834 30 L 3.8796 8.0317 118.9088 58.0796 41.3812 179.7525 31 T 3.6251 7.7027 115.6816 66.4592 68.2058 176.8347 32 I 3.3742 7.2201 121.8067 64.2987 37.0953 178.4793 33 L 3.9281 7.9458 120.0552 58.1219 41.5125 179.8203 34 T 3.9697 7.9740 115.7130 66.6339 68.2813 176.8553 35 L 4.1986 8.1081 121.0456 57.6951 41.5138 179.6207 36 I 3.7212 8.1415 120.3469 64.4136 36.9722 178.5272 37 S 4.2488 8.3330 116.1920 61.6484 62.5899 177.1117 38 G 3.4943 8.1041 109.3668 47.3936 0.0000 175.8821 39 T 3.9857 8.2007 118.3994 66.5884 68.0129 176.8144 40 I 3.6863 8.0807 122.0184 64.1297 37.0814 178.3422 41 F 3.5071 8.0644 121.5032 61.4584 38.8909 176.9659 42 Y 4.2972 7.9603 116.5764 60.5653 37.4206 178.1481 43 S 5.0235 8.1748 115.9281 59.8384 63.3588 175.5149 44 T 4.2267 7.0366 111.0421 62.9147 69.8558 175.7792 45 V 3.5655 7.4715 120.5146 64.1196 31.7013 176.2021 46 E 4.4013 7.8745 115.9195 55.1620 29.9261 175.6782 47 G 3.9045 7.7809 106.2564 46.5052 0.0000 173.8717 48 L 4.5460 7.4620 118.3323 52.9204 43.3781 177.0274 49 R 4.3685 8.1607 119.9196 55.3183 31.9789 176.0046 50 P 4.2235 0.0000 0.0000 66.0855 31.3212 178.7345 51 I 3.6716 7.7363 116.4630 64.3635 37.9361 177.4969 52 D 4.1945 7.9976 118.9736 57.1000 40.5721 178.4321 53 A 4.0672 8.3381 121.8595 54.9063 18.3281 179.5026 54 L 4.0041 8.2536 120.5214 57.9709 42.2059 178.4049 55 Y 4.1759 8.2736 119.7217 60.8511 38.7224 177.9999 56 F 3.9937 8.7416 121.7847 61.2929 39.4412 177.2236 57 S 4.0726 8.3181 115.0020 61.5331 62.6566 176.9449 58 V 3.4562 7.8842 120.9347 66.0461 31.3259 178.3225 59 V 3.3766 7.6018 117.9287 65.8636 31.1762 178.2247 60 T 3.6474 7.4655 115.5837 66.4956 68.2407 177.1030 61 L 3.8951 7.6545 119.3727 57.3823 41.7234 178.2639 62 T 3.9277 7.5863 106.9997 61.2737 69.0809 175.1142 63 T 3.3902 7.8119 111.1138 62.7862 67.9790 173.4393 64 V 3.3620 7.9415 122.4163 66.2460 32.1118 176.6047 65 G 3.9395 7.6660 105.3967 46.3519 0.0000 172.7603 66 Y 4.3404 7.5176 116.9731 60.6275 38.2738 178.9860 67 G 4.1225 8.6390 106.3576 45.0999 0.0000 174.3140 68 D 4.1663 8.0224 118.4225 55.0226 39.8156 176.3453 69 F 4.7839 7.4818 117.8252 56.0055 43.0536 173.8731 70 S 4.4122 7.8827 115.3296 56.4925 64.8747 173.8451 71 P 4.5100 0.0000 0.0000 63.5463 31.4170 176.0585 72 Q 4.4395 9.4983 120.8490 56.6569 30.4225 176.6912 73 T 4.5917 7.9128 108.5107 60.4667 71.8648 175.5573 74 D 4.4657 8.5959 122.0083 57.4191 40.8765 178.7969 75 F 4.7192 8.4569 120.9909 61.5337 39.4273 177.2780 76 G 3.8859 8.6206 105.5314 47.9151 0.0000 175.8615 77 K 4.1988 8.4498 120.9248 59.2544 31.9480 179.6380 78 I 3.8298 8.2464 120.3643 64.3676 37.0690 178.2611 79 F 3.9198 8.5041 121.6412 61.4636 39.0260 177.2592 80 T 4.2134 8.4054 117.0337 66.0809 68.3538 176.5846 81 I 3.7844 7.8530 121.6830 64.5107 37.1259 178.5381 82 L 4.0342 7.6627 119.4906 57.8477 40.9827 178.8266 83 Y 3.8848 8.1127 119.7558 60.6394 38.6228 178.3343 84 I 3.4982 7.8740 120.5608 64.5284 37.0411 178.5116 85 F 4.0455 7.7077 116.5257 60.4494 38.7746 177.3444 86 I 4.1197 8.0167 118.6586 63.0683 37.3800 177.6850 87 G 3.5876 8.1227 106.2797 46.0655 0.0000 176.0661 88 I 3.8472 7.7153 122.4219 64.2927 37.1155 178.4390 89 G 3.6995 8.0773 106.0037 47.7657 0.0000 175.2353 90 L 3.9408 7.7934 122.4831 57.8254 42.1798 178.9582 91 V 3.5396 7.8473 118.2287 66.1697 31.4047 177.9350 92 F 4.0867 8.7156 117.4479 59.7598 38.7779 178.1553 93 G 3.6503 8.1919 106.1328 47.6033 0.0000 175.6785 94 F 4.2437 8.6589 123.5094 61.1762 39.3880 177.2619 95 I 3.4859 8.0670 119.7232 64.4390 36.7842 177.8741 96 H 4.0985 8.4637 119.0935 59.3631 29.6887 177.5201 97 K 3.9446 8.1561 120.2377 59.2171 31.8158 179.0895 98 L 3.7079 8.1963 120.8123 57.9413 41.9084 178.9679 99 A 4.3633 7.9268 122.0652 54.9023 18.1836 179.8964 100 V 3.6433 7.6334 109.0922 63.1537 31.9647 177.5618 101 N 4.7032 8.1576 114.0406 52.9712 39.5947 174.8273 102 V 3.9721 7.0663 117.3676 64.2016 34.0253 177.3902 103 Q 3.9003 8.4280 118.9495 58.7099 28.4316 178.4124 104 L 3.8864 7.9281 121.3831 57.8908 42.1310 177.2898 105 P 4.1758 0.0000 0.0000 65.5269 31.2699 178.5687 106 S 4.0385 7.8879 111.5662 61.3021 62.0730 176.2929 107 I 3.6836 7.8053 121.8047 64.3847 37.2330 178.0326 108 L 4.1324 8.1388 120.2913 57.8697 41.2341 179.8188 109 S 4.1559 8.2383 114.2111 61.3760 62.7472 175.6206 110 N 4.5997 8.0101 117.3816 54.1080 38.5713 176.0320 111 L 4.5232 7.3512 119.4021 53.4015 42.6334 176.5933 112 V 3.7394 6.9542 120.6534 61.8510 31.9777 173.6873 113 P 4.6179 0.0000 0.0000 62.2964 32.4590 176.2661 114 R 4.1921 8.2742 118.5755 56.5584 30.9397 175.1970 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 19 A 8.12 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.92 3.95 0.00 1.90 2.02 0.00 1.67 0.00 0.00 1.98 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.57 7.81 21 D 8.22 4.39 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.41 4.00 0.00 1.92 2.03 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.52 7.81 23 E 8.66 3.96 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 24 F 8.57 4.25 0.00 3.17 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.48 3.94 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 26 V 8.21 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 27 L 8.11 3.99 0.00 2.00 1.92 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.26 3.43 0.00 2.72 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.84 3.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 30 L 8.03 3.88 0.00 1.78 1.62 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.70 3.63 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 32 I 7.22 3.37 1.54 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.03 0.71 0.00 0.00 33 L 7.95 3.93 0.00 1.73 1.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.97 3.97 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 35 L 8.11 4.20 0.00 1.77 1.72 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.14 3.72 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.90 0.00 0.00 37 S 8.33 4.25 0.00 4.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.10 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.20 3.99 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 40 I 8.08 3.69 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.85 0.00 0.00 41 F 8.06 3.51 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.96 4.30 0.00 3.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.17 5.02 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.04 4.23 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 45 V 7.47 3.57 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.23 0.00 0.00 46 E 7.87 4.40 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 47 G 7.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.46 4.55 0.00 1.89 1.47 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.16 4.37 0.00 1.83 1.83 0.00 3.16 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 50 P 0.00 4.22 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 51 I 7.74 3.67 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.89 0.00 0.00 52 D 8.00 4.19 0.00 2.69 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.34 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.25 4.00 0.00 1.80 1.90 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.27 4.18 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.74 3.99 0.00 2.88 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.32 4.07 0.00 4.17 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.88 3.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 59 V 7.60 3.38 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.49 0.00 0.00 60 T 7.47 3.65 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 61 L 7.65 3.90 0.00 1.45 1.52 0.38 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.59 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 63 T 7.81 3.39 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 64 V 7.94 3.36 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.79 0.00 0.00 65 G 7.67 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.52 4.34 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.64 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.02 4.17 0.00 2.62 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.48 4.78 0.00 3.10 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.88 4.41 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.51 0.00 2.44 2.40 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 72 Q 9.50 4.44 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 73 T 7.91 4.59 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 74 D 8.60 4.47 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.46 4.72 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.62 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.45 4.20 0.00 2.09 1.99 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.80 7.81 78 I 8.25 3.83 2.28 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 1.05 0.00 0.00 79 F 8.50 3.92 0.00 2.37 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.41 4.21 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 81 I 7.85 3.78 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 1.09 0.00 0.00 82 L 7.66 4.03 0.00 1.52 1.59 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.11 3.88 0.00 2.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.87 3.50 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.58 0.00 0.00 85 F 7.71 4.05 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.02 4.12 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.87 0.00 0.00 87 G 8.12 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.72 3.85 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.95 0.00 0.00 89 G 8.08 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.79 3.94 0.00 1.73 1.76 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.85 3.54 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.79 0.00 0.00 92 F 8.72 4.09 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.19 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.66 4.24 0.00 3.02 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.07 3.49 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.89 0.00 0.00 96 H 8.46 4.10 0.00 3.37 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.16 3.94 0.00 2.11 2.05 0.00 1.77 0.00 0.00 1.98 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.59 7.81 98 L 8.20 3.71 0.00 1.24 1.58 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.93 4.36 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.63 3.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.85 0.00 0.00 101 N 8.16 4.70 0.00 2.72 2.74 0.00 0.00 6.71 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.07 3.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.20 0.00 0.00 103 Q 8.43 3.90 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 104 L 7.93 3.89 0.00 1.80 1.77 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 106 S 7.89 4.04 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.81 3.68 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.89 0.00 0.00 108 L 8.14 4.13 0.00 1.80 1.70 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.24 4.16 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.01 4.60 0.00 2.89 2.89 0.00 0.00 6.97 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.35 4.52 0.00 1.78 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.95 3.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 113 P 0.00 4.62 0.00 2.21 2.02 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 114 R 8.27 4.19 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00