NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.6080 8.2876 120.2309 56.4798 31.5431 177.4232 3 T 3.8508 7.8668 113.5839 64.2259 68.6417 174.9353 4 L 4.1628 9.0774 122.6118 57.7448 42.1635 180.0124 5 N 4.1754 8.6184 115.9437 56.0981 38.5516 176.9085 6 D 4.5063 8.0223 120.3968 57.1629 40.9118 179.8511 7 I 3.8494 7.4599 118.7622 61.5132 37.1042 178.2909 *9 K 4.1789 8.0546 121.0847 56.6365 34.0912 178.5342 10 I 3.7917 7.4889 119.6137 64.2584 36.9162 178.4901 11 L 4.0789 8.0938 119.9439 57.8559 41.4842 179.5809 12 I 3.5331 7.6991 119.2601 64.4277 36.8503 178.0361 13 N 4.2896 7.8746 116.3050 56.1138 38.4855 177.3252 14 V 3.9066 8.1384 119.9518 66.0444 31.7115 178.1664 15 G 2.9490 7.9212 105.3551 47.6802 0.0000 175.4525 16 L 3.8928 7.4764 122.3446 57.1066 41.3121 179.2737 17 Y 3.8307 7.2586 115.6548 60.2832 38.0355 177.3048 18 Q 4.1415 7.3168 117.6664 55.3893 28.5842 176.9013 19 G 4.0027 8.0264 108.4499 45.2234 0.0000 173.4267 20 F 4.8547 6.9804 112.7649 54.5988 41.1517 173.2943 21 D 4.8546 8.4173 121.4829 52.2927 41.4384 176.7391 22 L 3.8909 8.2624 127.7324 57.3127 41.7343 179.0028 23 T 4.4159 8.0094 107.4933 62.8741 69.1312 173.9555 24 D 4.5918 8.0647 123.6271 52.6807 41.5038 175.0578 25 P 4.3581 0.0000 0.0000 65.5126 31.0826 178.6553 26 K 3.9848 8.2128 116.7739 58.9619 32.0363 178.9789 27 V 3.8690 8.0252 119.1433 65.3045 31.6487 177.8544 28 S 4.3437 7.9103 110.1874 59.5634 63.4641 174.1617 29 E 4.6061 7.9772 119.5323 55.8874 30.0159 175.8061 30 E 4.0165 7.7845 120.5308 56.0688 30.2422 176.1730 31 V 3.8952 7.9571 124.6903 61.5882 32.8185 174.9058 32 N 4.4936 8.8154 126.1972 53.0437 38.5831 175.2236 33 H 4.4750 8.5878 122.7428 57.0282 29.4241 176.3659 34 E 4.1245 8.6791 121.3530 58.6595 29.5835 177.4370 35 T 4.1156 8.0534 106.0962 61.0382 69.7691 175.1629 36 A 3.8132 8.3022 123.4454 52.6544 17.9836 177.6924 37 N 4.8476 7.5683 114.9552 53.3652 38.7059 175.2949 *40 W 5.0078 8.4572 125.5052 57.9501 30.0833 175.0482 41 I 3.9565 9.1561 123.1045 61.9968 36.1669 175.3287 *43 D 4.3674 7.8984 119.6815 54.7744 41.1937 174.4930 44 Y 4.4858 8.5207 123.5293 57.9057 38.8682 176.0470 45 T 4.4873 8.2892 111.9400 60.6880 69.8438 175.9690 46 S 4.1712 8.4790 116.7578 61.3085 63.1443 175.3800 47 D 4.4784 8.0813 119.6215 56.0445 41.0109 176.9850 48 G 3.7775 7.6562 107.9559 45.7898 0.0000 174.0586 49 N 4.7270 8.3834 118.8870 51.1139 40.6992 175.0254 50 W 4.4536 9.3526 129.5527 59.7661 29.1934 178.1730 51 D 4.5330 8.5514 118.4641 57.5396 40.2445 178.3727 52 N 4.4143 8.8279 117.0641 56.3051 38.5383 177.2591 53 E 3.9630 8.2041 119.5843 59.3477 29.5168 179.1029 54 F 4.0692 8.2752 120.5045 61.3384 39.2676 177.1764 55 K 3.9057 8.3567 116.9929 59.4313 31.9357 178.6467 56 E 4.0243 8.1876 118.4769 59.4276 29.8639 178.2657 57 D 4.5804 8.0827 118.8933 57.1189 40.8274 179.2094 58 L 4.1647 7.6130 117.8070 55.9780 41.8269 178.1665 *60 N 4.4577 8.1368 116.8484 52.7101 40.5120 176.6415 61 F 4.4834 8.3333 119.0376 61.5629 39.5802 176.9547 62 L 3.8297 8.1294 117.5341 57.6495 41.6477 178.9416 63 D 4.4325 7.8782 118.3658 57.3464 40.8526 179.4060 64 Y 4.0472 7.7034 116.6734 58.0342 37.9202 177.8873 *66 E 4.1750 8.1950 122.3503 56.2530 31.7092 177.7917 67 V 3.6025 7.6902 117.8879 65.8744 31.3994 177.4842 68 C 4.0767 8.2161 118.5930 62.6513 31.4589 175.4785 69 Q 3.9515 7.9881 120.5494 59.0884 28.4870 177.9106 70 L 3.9560 7.8434 119.0308 57.6730 41.8190 178.9411 71 A 4.0569 8.4050 121.1734 55.0901 18.0513 179.7115 72 L 3.6268 7.7028 116.6108 57.9696 41.7898 179.2147 73 N 4.4124 7.9964 115.2169 56.5549 38.4362 175.6579 74 D 4.5768 7.4968 119.7010 54.8251 41.9922 176.2874 *76 N 4.2991 7.5641 124.9917 53.8323 39.6084 174.9277 77 F 4.4209 7.9715 130.0183 57.1720 39.3090 177.8218 *79 I 4.1071 7.6660 122.4942 61.4174 39.6432 178.6293 80 A 3.9983 8.0691 122.0629 55.0963 18.1660 179.5552 81 S 4.0685 8.1872 111.6183 61.6982 62.3159 175.9108 82 N 4.3684 8.1216 117.7068 56.8923 38.8299 176.4823 83 S 4.4417 8.2546 115.8678 61.5501 63.0025 176.1258 84 L 4.2399 7.9151 122.3284 57.8256 41.8438 178.9789 85 F 4.2409 8.0030 115.9663 58.8868 39.1870 174.9332 *87 A 4.4750 7.7935 118.0786 51.9083 20.1908 179.5050 *89 I 3.7546 7.7905 121.1258 63.1163 39.0802 178.0636 90 Y 3.8898 7.6955 116.8967 60.5258 37.6349 177.8807 91 A 3.4615 8.2689 122.6604 54.7707 18.2833 179.8448 92 G 3.4373 7.7958 103.7098 47.9574 0.0000 175.4066 93 N 4.2349 7.9296 118.9408 56.0279 38.1746 177.4624 94 L 4.0023 7.9737 120.3377 57.7991 41.7323 179.4719 95 S 4.0865 8.2068 113.1423 61.4333 62.2666 175.9501 96 L 3.9407 8.2174 123.2740 58.0372 41.6531 178.7507 97 I 3.3949 7.6443 119.8431 64.6135 36.9945 178.2897 98 F 4.2221 7.5497 117.7576 60.0316 38.8378 177.4062 99 D 4.3843 8.2622 117.9059 57.5855 41.0054 178.6904 100 S 4.1020 8.2234 115.6509 61.5356 62.7264 176.7092 101 I 3.6682 7.3814 122.1685 64.1899 36.8480 178.0433 102 K 3.8807 8.4272 120.8962 60.1576 31.9405 178.7149 103 T 3.8883 8.0528 115.5209 66.8684 68.4179 176.4209 104 D 4.6229 8.3770 120.7449 57.4628 40.7906 178.8852 105 I 3.9038 8.3037 120.6610 64.5703 37.1475 178.2382 106 S 4.0976 8.3478 113.9522 61.9160 61.9076 176.4794 107 T 3.8145 7.6842 117.4595 66.4439 68.5130 176.4873 108 L 4.5919 8.3569 121.1485 57.9157 41.4981 179.5007 109 L 3.9592 8.2057 118.6954 57.4210 41.5860 179.1480 110 S 4.3762 8.2148 112.8593 58.6429 63.5033 174.3709 111 A 4.5752 8.1531 123.3567 52.1131 16.6403 178.7327 112 E 3.8704 8.0486 121.6148 60.2940 29.6177 177.4169 113 Y 4.9988 7.6288 114.1853 57.2461 38.4156 175.7508 114 K 4.5945 8.0252 119.2732 57.6471 32.9058 176.7460 115 K 4.7034 9.4215 119.4343 56.1766 33.0214 175.9516 116 N 4.9165 7.7023 116.2417 52.2983 39.3364 174.7837 117 S 4.6561 8.6756 117.3092 58.5423 63.3943 173.6582 118 F 3.9622 8.5550 123.4410 59.3360 39.4046 174.6259 119 S 4.3342 7.0653 120.6043 55.9034 65.2153 173.4521 120 W 4.1813 8.4628 127.7554 55.8083 29.4420 174.3108 121 P 4.3282 0.0000 0.0000 62.3757 31.3017 176.4482 122 S 4.3080 8.6352 118.2597 58.4926 63.5060 174.0290 123 L 4.3687 8.4398 122.4355 53.7823 42.8300 176.2347 124 D 4.7696 8.1001 122.9346 54.7800 40.7733 173.4175 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 2 E 8.29 4.61 0.00 2.02 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 0.00 2.31 2.26 0.00 3 T 7.87 3.85 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 1.22 0.00 0.00 4 L 9.08 4.16 0.00 1.92 2.11 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.62 4.18 0.00 2.91 2.75 0.00 0.00 7.08 8.92 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 6 D 8.02 4.51 0.00 2.90 2.70 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 7 I 7.46 3.85 2.20 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.25 1.10 0.00 0.00 *9 K 8.05 4.18 0.00 1.99 1.84 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.53 7.81 10 I 7.49 3.79 2.03 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 1.54 0.72 0.96 0.00 0.00 11 L 8.09 4.08 0.00 1.90 1.89 1.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.70 3.53 1.97 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 1.56 0.93 0.80 0.00 0.00 13 N 7.87 4.29 0.00 2.92 2.96 0.00 0.00 7.01 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 14 V 8.14 3.91 2.31 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 1.27 0.00 0.00 1.10 0.00 0.00 15 G 7.92 2.95 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 16 L 7.48 3.89 0.00 1.57 1.38 0.76 0.39 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 17 Y 7.26 3.83 0.00 2.70 2.78 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 0.00 0.00 0.00 0.00 18 Q 7.32 4.14 0.00 1.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.61 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 19 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.98 4.85 0.00 3.06 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 21 D 8.42 4.85 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.89 0.00 1.29 1.15 -0.30 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.01 4.42 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 1.18 0.00 0.00 24 D 8.06 4.59 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 26 K 8.21 3.98 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 27 V 8.03 3.87 2.31 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 0.94 0.00 0.00 0.94 0.00 0.00 28 S 7.91 4.34 0.00 4.15 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 29 E 7.98 4.61 0.00 2.19 2.03 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 2.31 2.28 0.00 30 E 7.78 4.02 0.00 2.06 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 2.23 2.21 0.00 31 V 7.96 3.90 1.91 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 0.71 0.00 0.00 0.90 0.00 0.00 32 N 8.82 4.49 0.00 2.63 2.77 0.00 0.00 7.06 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 33 H 8.59 4.48 0.00 3.20 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.68 4.12 0.00 1.94 2.12 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 2.32 2.25 0.00 35 T 8.05 4.12 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 1.21 0.00 0.00 36 A 8.30 3.81 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 37 N 7.57 4.85 0.00 2.73 2.45 0.00 0.00 6.97 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 W 8.46 5.01 0.00 3.64 3.48 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 0.00 0.00 0.00 0.00 41 I 9.16 3.96 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.88 0.00 0.00 *43 D 7.90 4.37 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.52 4.49 0.00 3.21 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 45 T 8.29 4.49 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 1.27 0.00 0.00 46 S 8.48 4.17 0.00 3.98 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 47 D 8.08 4.48 0.00 2.71 2.78 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 0.00 0.00 0.00 0.00 48 G 7.66 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.38 4.73 0.00 2.75 2.72 0.00 0.00 6.98 7.95 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 50 W 9.35 4.45 0.00 3.54 3.14 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 0.00 0.00 0.00 0.00 51 D 8.55 4.53 0.00 2.89 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 52 N 8.83 4.41 0.00 2.96 2.91 0.00 0.00 7.04 7.28 0.00 0.00 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 E 8.20 3.96 0.00 2.20 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 0.00 2.35 2.62 0.00 54 F 8.28 4.07 0.00 3.13 3.27 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 55 K 8.36 3.91 0.00 1.90 1.91 0.00 1.96 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.90 1.70 7.81 56 E 8.19 4.02 0.00 1.97 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 0.00 2.31 2.32 0.00 57 D 8.08 4.58 0.00 2.64 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 58 L 7.61 4.16 0.00 1.09 1.52 1.01 0.77 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 *60 N 8.14 4.46 0.00 2.14 1.80 0.00 0.00 6.66 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.33 4.48 0.00 3.01 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.13 3.83 0.00 1.53 1.61 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.88 4.43 0.00 2.56 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.70 4.05 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.17 0.00 1.95 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 0.00 2.22 2.26 0.00 67 V 7.69 3.60 2.26 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 1.00 0.00 0.00 0.89 0.00 0.00 68 C 8.22 4.08 0.00 3.18 2.93 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 69 Q 7.99 3.95 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 70 L 7.84 3.96 0.00 1.79 1.68 0.89 0.57 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 71 A 8.40 4.06 1.40 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 0.00 0.00 72 L 7.70 3.63 0.00 1.75 1.72 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.00 4.41 0.00 2.82 2.85 0.00 0.00 7.05 7.48 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 74 D 7.50 4.58 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.56 4.30 0.00 2.65 2.66 0.00 0.00 6.95 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 77 F 7.97 4.42 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 I 7.67 4.11 1.86 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 1.37 0.78 0.94 0.00 0.00 80 A 8.07 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.07 0.00 4.08 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 82 N 8.12 4.37 0.00 2.77 2.89 0.00 0.00 6.99 7.63 0.00 0.00 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 S 8.25 4.44 0.00 3.98 4.35 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 84 L 7.92 4.24 0.00 1.91 1.96 0.98 0.89 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 85 F 8.00 4.24 0.00 3.06 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 *87 A 7.79 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 *89 I 7.79 3.75 1.45 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.30 0.32 0.00 0.00 90 Y 7.70 3.89 0.00 3.28 3.09 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 0.00 91 A 8.27 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.80 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.93 4.23 0.00 2.91 3.10 0.00 0.00 7.05 6.90 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 94 L 7.97 4.00 0.00 1.73 1.80 0.66 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.21 4.09 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.94 0.00 1.79 1.83 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.64 3.39 1.64 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 1.33 1.29 0.17 0.00 0.00 98 F 7.55 4.22 0.00 3.13 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 99 D 8.26 4.38 0.00 2.92 2.66 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 0.00 100 S 8.22 4.10 0.00 3.90 3.76 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 I 7.38 3.67 2.03 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 1.08 0.00 0.00 102 K 8.43 3.88 0.00 1.93 2.08 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 103 T 8.05 3.89 4.42 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 1.21 0.00 0.00 104 D 8.38 4.62 0.00 3.18 3.32 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 0.00 105 I 8.30 3.90 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 0.97 0.00 0.00 106 S 8.35 4.10 0.00 3.90 4.11 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 0.00 107 T 7.68 3.81 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 0.37 0.00 0.00 108 L 8.36 4.59 0.00 2.14 2.05 1.18 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.21 3.96 0.00 1.73 1.61 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.21 4.38 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.05 3.87 0.00 1.72 1.56 0.00 0.00 0.00 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 1.84 0.00 113 Y 7.63 5.00 0.00 2.98 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.03 4.59 0.00 2.15 2.08 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.72 1.55 7.81 115 K 9.42 4.70 0.00 1.95 1.91 0.00 2.01 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.56 7.81 116 N 7.70 4.92 0.00 2.78 2.81 0.00 0.00 6.13 7.64 0.00 0.00 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 S 8.68 4.66 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.55 3.96 0.00 3.09 2.96 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 0.00 119 S 7.07 4.33 0.00 3.69 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.46 4.18 0.00 3.35 3.08 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 0.00 0.00 0.00 0.00 121 P 0.00 4.33 0.00 2.09 2.01 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 122 S 8.64 4.31 0.00 4.07 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 0.00 123 L 8.44 4.37 0.00 1.63 1.73 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.10 4.77 0.00 2.83 2.66 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 * Residues marked with a * may have inaccurate shift predictions.