NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2927 8.2493 123.5877 52.3675 18.7390 176.1404 2 S 4.5666 8.0788 116.2846 55.5548 64.9717 172.9827 3 N 4.9772 8.6991 114.8850 52.4158 39.5277 176.1427 4 F 4.9483 8.0520 123.0824 57.4191 37.9875 173.4854 5 E 4.7296 7.8833 122.0034 54.1574 32.4293 176.0970 6 E 4.6792 8.5282 118.2316 56.8179 30.6621 175.6759 7 F 4.9906 8.3042 113.7571 55.8306 41.7400 173.2696 8 V 4.0023 8.3995 120.3761 61.3999 31.4282 175.6886 9 L 4.2338 8.3282 127.9162 56.0640 43.0373 176.4530 10 V 4.1637 7.3532 117.5438 60.6344 33.5596 173.3773 11 D 4.6008 8.6367 126.4024 54.2706 40.7449 175.3720 12 N 4.8637 9.2173 125.2684 53.0216 39.1702 176.0892 13 G 4.3830 8.6466 114.6923 43.6158 0.0000 175.8325 14 G 4.7181 7.1211 117.9349 45.6294 0.0000 173.2500 15 T 4.2260 7.7856 111.0603 59.6500 67.4738 174.3480 16 G 3.9477 8.3358 119.1806 46.0623 0.0000 170.9694 17 D 4.4990 7.8656 118.2786 54.1004 41.9734 176.6122 18 V 3.8456 7.9952 122.7574 61.5712 32.1689 174.6937 19 K 4.5408 8.2661 129.4463 55.2170 33.8194 175.7291 20 V 4.6194 8.3976 124.8335 60.9950 34.9372 174.1081 21 A 5.2291 9.3339 128.3914 49.0628 22.8262 173.5113 22 P 4.0627 0.0000 0.0000 63.3110 31.0591 176.3439 23 S 4.5619 8.8372 118.1990 59.4575 65.4392 173.8691 24 N 4.8722 7.7259 115.8464 52.2437 42.1241 174.4427 25 F 5.6825 8.9159 123.2764 56.6347 41.1552 174.2445 26 A 3.9571 8.1813 122.1090 53.0144 18.5824 178.3153 27 N 4.1517 9.4184 116.2396 53.8486 36.1758 174.6740 28 G 3.6602 7.5618 104.1503 46.6949 0.0000 174.6010 29 V 4.6453 7.7497 112.7182 58.7822 34.5932 175.3536 30 A 3.8801 8.7606 128.8580 51.7104 19.3789 175.7073 31 E 5.4170 9.3801 122.8585 54.3073 33.4620 174.5506 32 W 5.7648 9.7344 125.2647 55.3027 33.7936 174.2881 33 I 5.7762 9.4200 116.0535 58.6327 41.3861 174.0274 34 S 4.9813 8.4567 116.2723 56.8847 65.3687 175.1308 35 S 4.4403 8.4989 113.7612 59.4733 62.3888 174.5818 36 N 4.7589 7.4908 119.6465 51.9316 40.2305 174.8372 37 S 4.3722 8.2458 112.6501 58.1187 63.6356 174.8330 38 R 3.8725 8.7732 122.3995 59.7334 29.8362 178.8506 39 S 4.1894 8.0549 111.0170 60.5671 63.3023 174.6736 40 Q 4.2980 7.9784 117.4252 55.3245 28.7908 175.1609 41 A 4.5541 7.2270 119.2964 51.3857 20.0862 177.6046 42 Y 4.2883 9.5582 118.4097 57.7812 39.6877 174.8423 43 K 5.1579 8.7668 122.1197 54.9273 36.5414 175.1933 44 V 5.1690 9.1109 125.6395 61.5454 34.9357 173.9591 45 T 6.0566 9.2726 117.9189 59.4062 72.0282 172.5051 46 C 5.6195 8.7795 123.1524 58.2027 35.7564 172.4283 47 S 5.0638 8.8932 117.2295 57.5874 66.3102 173.6416 48 V 5.4926 8.4099 113.7345 58.7306 35.2062 174.9211 49 R 4.5261 8.1718 119.1758 54.8155 33.3971 173.9855 50 Q 4.2319 8.5423 122.7194 55.3040 27.6493 175.4870 51 S 3.9573 8.4400 119.7509 60.3769 63.0742 176.9132 52 S 4.3686 8.0644 113.0979 56.4661 63.8461 174.4790 53 A 4.1512 8.3785 124.3515 53.6982 18.3712 177.8027 54 N 4.5741 7.9434 111.9362 52.9687 38.6964 173.5165 55 N 5.3698 7.6931 115.0392 51.6017 43.8791 173.3074 56 R 4.9247 8.5615 117.4943 54.4433 34.7822 174.9821 57 K 5.0072 8.8278 121.4325 54.9547 35.1866 174.9314 58 Y 4.6284 9.0930 123.9495 57.5111 39.9108 175.0730 59 T 5.1224 9.3736 120.0557 62.0915 71.9923 173.3008 60 V 5.1790 8.7878 119.8616 59.4848 35.5065 175.2330 61 K 5.1365 9.2558 122.6355 54.7780 36.6478 175.3753 62 V 4.8460 8.7379 123.9797 61.1127 34.9038 173.7755 63 E 4.7884 9.4158 127.6983 54.5920 31.9129 174.8784 64 V 4.4767 8.5878 125.7885 60.4159 33.6078 172.8035 65 P 4.6172 0.0000 0.0000 60.9202 33.9931 175.0338 66 K 3.8474 7.2724 122.7670 54.0670 33.3209 175.1641 67 V 3.7349 8.1129 120.5184 61.6699 32.1174 176.0649 68 A 4.0887 8.2691 128.6277 51.9641 18.6257 176.8455 69 T 4.0804 8.4976 120.2157 62.7423 69.9012 174.9991 *74 G 4.0160 8.2290 114.6419 44.9712 0.0000 171.6051 75 V 4.3589 7.6020 117.0086 62.8816 37.3836 174.1380 76 E 4.2752 8.4828 123.3907 56.4037 27.2115 174.4434 77 L 4.0529 7.4979 119.9279 54.0721 42.4181 174.7667 78 P 4.4864 0.0000 0.0000 62.9383 32.1319 175.9634 79 V 4.1859 7.8654 120.9586 61.5126 33.9798 170.1470 80 A 4.8369 8.4621 122.6907 50.2991 20.1082 177.3047 81 A 4.0549 8.3219 125.7084 54.7285 18.7741 177.5927 82 W 5.1280 6.6810 110.1970 55.9148 31.4687 173.5735 83 R 4.8876 8.8761 118.5706 54.4887 33.4077 174.8703 84 S 4.8507 9.3531 118.2674 57.4098 63.8761 172.2854 85 Y 4.8509 8.9185 125.0720 56.8628 39.6014 174.6581 86 M 4.8589 8.9524 123.0635 53.8187 35.6160 174.0619 87 N 5.3439 8.7098 123.6796 52.6586 41.9895 172.8549 88 M 4.9055 9.4178 126.3049 53.6246 36.1731 173.6331 89 E 5.0127 8.9080 125.2936 54.4932 32.2381 174.6544 90 L 4.6021 9.3170 130.9547 53.8487 43.8544 175.2570 91 T 4.8528 8.5248 124.1913 62.6118 69.6096 174.6375 92 I 4.5417 8.6767 127.8795 58.5865 40.1612 173.7250 93 P 4.5024 0.0000 0.0000 62.7226 31.7974 177.1195 94 V 3.5888 8.5405 123.0252 66.1497 31.4924 178.3893 95 F 4.4705 7.3525 116.1279 59.5793 39.0140 175.6155 96 A 4.2978 7.6417 123.7949 52.4344 18.8135 177.8913 97 T 4.4967 9.0912 113.3974 60.3783 72.0182 176.0496 98 N 4.3232 8.5565 118.3517 56.6338 38.4210 177.3247 99 D 4.3520 8.0535 119.6032 57.5103 40.9967 178.0916 100 D 4.4000 8.0221 119.3330 57.9398 40.7499 178.8266 101 C 4.0201 8.1382 116.5420 62.7416 28.2118 175.7568 102 A 3.8990 8.0518 122.0957 55.4718 17.8526 179.1509 103 L 3.8125 8.2034 118.5904 58.4058 42.0941 178.9200 104 I 3.6313 7.5824 119.5287 64.6413 37.1542 178.0464 105 V 3.5616 7.9264 118.7848 66.1603 31.2032 177.7730 106 K 3.7844 8.4416 117.9365 59.6741 32.0033 178.8216 107 A 3.9256 8.2829 120.9252 55.1180 17.8823 179.1363 108 L 3.8586 8.4662 119.1098 58.6030 41.9027 179.0515 109 Q 4.2149 8.4226 116.6666 59.0490 29.0038 179.0671 110 G 3.7740 8.7328 106.7843 48.3626 0.0000 175.5476 111 T 3.6711 7.7245 117.9325 65.7598 68.4920 175.4742 112 F 4.7876 7.1019 114.9164 55.9812 40.0343 176.0293 113 K 4.0920 7.9482 121.9463 56.3743 32.6238 176.4353 114 T 4.0900 8.3008 121.9905 65.3419 68.8720 174.2815 115 G 4.0317 9.0315 113.3517 45.5027 0.0000 173.7835 116 N 4.7970 8.1202 117.7856 52.5278 40.9414 174.2129 117 P 3.6692 0.0000 0.0000 64.4368 32.3886 177.9873 118 I 3.5996 7.7321 118.7734 63.6357 37.4388 177.7696 119 A 4.0621 8.0135 120.4476 55.6312 18.0834 179.1893 120 T 3.7875 7.7511 112.4798 67.1327 68.8196 175.9395 121 A 4.0979 8.5943 122.3268 55.3861 18.2682 179.3412 122 I 3.6799 7.7529 116.7454 64.7397 37.2043 177.9789 123 A 4.3672 7.9193 117.8299 53.3167 18.1746 177.5043 124 A 4.5802 8.3465 119.8141 50.7562 20.4772 176.1102 125 N 4.2157 7.9991 113.8549 55.2367 36.5385 173.5961 126 S 4.6893 7.5714 109.3942 56.7190 66.7346 173.9223 127 G 4.0394 8.4573 110.5252 44.2752 0.0000 173.0470 128 I 4.0844 8.0793 120.3683 60.6126 37.9358 176.0773 129 Y 4.4061 7.6058 122.0448 57.4579 37.5491 174.5001 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 1 A 8.25 4.29 1.31 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 0.00 0.00 2 S 8.08 4.57 0.00 4.25 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 3 N 8.70 4.98 0.00 2.83 2.94 0.00 0.00 5.92 7.43 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 4 F 8.05 4.95 0.00 2.72 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 5 E 7.88 4.73 0.00 2.12 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 0.00 2.28 2.31 0.00 6 E 8.53 4.68 0.00 2.27 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 0.00 2.32 2.34 0.00 7 F 8.30 4.99 0.00 3.03 3.10 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 0.00 8 V 8.40 4.00 2.02 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 0.71 0.00 0.00 0.88 0.00 0.00 9 L 8.33 4.23 0.00 1.28 1.50 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.35 4.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.66 0.00 0.00 11 D 8.64 4.60 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.22 4.86 0.00 2.79 2.75 0.00 0.00 7.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.65 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.12 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.79 4.23 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 16 G 8.34 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.87 4.50 0.00 2.50 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.00 3.85 1.57 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 -0.12 0.00 0.00 0.56 0.00 0.00 19 K 8.27 4.54 0.00 1.69 1.56 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.32 7.81 20 V 8.40 4.62 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.86 0.00 0.00 21 A 9.33 5.23 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.06 0.00 1.36 0.49 0.00 3.51 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 23 S 8.84 4.56 0.00 3.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.73 4.87 0.00 2.87 2.84 0.00 0.00 6.59 7.71 0.00 0.00 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 F 8.92 5.68 0.00 3.20 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 26 A 8.18 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.42 4.15 0.00 2.90 2.90 0.00 0.00 6.95 7.65 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 28 G 7.56 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.65 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 0.84 0.00 0.00 1.12 0.00 0.00 30 A 8.76 3.88 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.38 5.42 0.00 2.11 2.05 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 2.33 2.40 0.00 32 W 9.73 5.76 0.00 3.26 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 9.42 5.78 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 2.12 0.99 0.00 0.00 34 S 8.46 4.98 0.00 4.14 4.04 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 35 S 8.50 4.44 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.49 4.76 0.00 2.66 2.79 0.00 0.00 6.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.25 4.37 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 3.87 0.00 1.91 2.00 0.00 3.24 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 39 S 8.05 4.19 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.98 4.30 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 41 A 7.23 4.55 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.56 4.29 0.00 2.83 2.85 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 43 K 8.77 5.16 0.00 1.84 1.59 0.00 1.62 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.45 7.81 44 V 9.11 5.17 2.20 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 0.88 0.00 0.00 0.95 0.00 0.00 45 T 9.27 6.06 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 46 C 8.78 5.62 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.89 5.06 0.00 3.93 3.95 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 0.00 0.00 0.00 48 V 8.41 5.49 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 49 R 8.17 4.53 0.00 1.78 1.92 0.00 2.93 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 50 Q 8.54 4.23 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 51 S 8.44 3.96 0.00 4.14 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.06 4.37 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.57 0.00 2.69 2.67 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.69 5.37 0.00 2.62 2.63 0.00 0.00 6.65 7.43 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 56 R 8.56 4.92 0.00 1.68 1.64 0.00 3.03 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 57 K 8.83 5.01 0.00 1.63 1.68 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 58 Y 9.09 4.63 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 9.37 5.12 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 1.31 0.00 0.00 60 V 8.79 5.18 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 61 K 9.26 5.14 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 62 V 8.74 4.85 2.08 0.00 0.00 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 0.92 0.00 0.00 63 E 9.42 4.79 0.00 1.80 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.01 0.00 64 V 8.59 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 65 P 0.00 4.62 0.00 1.69 1.62 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.35 0.00 66 K 7.27 3.85 0.00 0.79 0.74 0.00 1.30 0.00 0.00 1.42 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.88 0.97 7.81 67 V 8.11 3.73 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 0.62 0.00 0.00 0.84 0.00 0.00 68 A 8.27 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.08 4.23 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 0.00 0.00 0.00 1.23 0.00 0.00 *74 G 8.23 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 0.00 0.00 0.00 0.00 75 V 7.60 4.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 76 E 8.48 4.28 0.00 2.15 2.22 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 2.17 2.21 0.00 77 L 7.50 4.05 0.00 1.57 1.58 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.49 0.00 1.95 2.15 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 79 V 7.87 4.19 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 0.62 0.00 0.00 0.91 0.00 0.00 80 A 8.46 4.84 1.05 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 0.00 0.00 81 A 8.32 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 W 6.68 5.13 0.00 3.48 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 83 R 8.88 4.89 0.00 1.70 1.31 0.00 3.21 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 84 S 9.35 4.85 0.00 4.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.92 4.85 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.95 4.86 0.00 2.19 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 87 N 8.71 5.34 0.00 2.79 2.69 0.00 0.00 6.78 7.65 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 88 M 9.42 4.91 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 89 E 8.91 5.01 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 90 L 9.32 4.60 0.00 1.79 1.65 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.52 4.85 4.27 0.00 0.00 0.00 0.00 0.00 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 92 I 8.68 4.54 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.65 0.96 0.00 0.00 93 P 0.00 4.50 0.00 1.98 1.99 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 94 V 8.54 3.59 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.85 0.00 0.00 95 F 7.35 4.47 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.64 4.30 1.31 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 0.00 0.00 97 T 9.09 4.50 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 98 N 8.56 4.32 0.00 2.76 2.92 0.00 0.00 6.81 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.05 4.35 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.40 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.14 4.02 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 3.90 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 0.00 103 L 8.20 3.81 0.00 1.84 1.84 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.58 3.63 2.01 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 1.40 0.87 0.88 0.00 0.00 105 V 7.93 3.56 2.20 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 0.98 0.00 0.00 0.84 0.00 0.00 106 K 8.44 3.78 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.64 7.81 107 A 8.28 3.93 1.31 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 0.00 0.00 108 L 8.47 3.86 0.00 1.99 1.75 0.95 0.97 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 0.00 109 Q 8.42 4.21 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 110 G 8.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.67 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 112 F 7.10 4.79 0.00 3.06 3.05 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 0.00 113 K 7.95 4.09 0.00 1.88 1.68 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 114 T 8.30 4.09 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 115 G 9.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.12 4.80 0.00 2.93 2.69 0.00 0.00 6.58 8.06 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 0.00 117 P 0.00 3.67 0.00 2.21 2.07 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 118 I 7.73 3.60 1.94 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 1.51 0.89 0.88 0.00 0.00 119 A 8.01 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.75 3.79 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 1.19 0.00 0.00 121 A 8.59 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.75 3.68 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.96 0.00 0.00 123 A 7.92 4.37 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.35 4.58 1.29 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 0.00 0.00 0.00 125 N 8.00 4.22 0.00 2.81 2.85 0.00 0.00 6.62 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.57 4.69 0.00 4.11 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.46 4.04 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 0.00 0.00 0.00 128 I 8.08 4.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.85 0.00 0.00 129 Y 7.61 4.41 0.00 3.03 2.89 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 * Residues marked with a * may have inaccurate shift predictions.