NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3120 8.3231 115.2901 57.4738 63.6957 172.2921 2 G 3.2563 7.8168 106.9178 42.6099 0.0000 172.6776 3 R 4.7289 8.5033 115.4002 53.0276 33.8180 173.7351 4 G 4.3409 8.3868 114.5840 45.6670 0.0000 172.1118 5 K 3.9316 8.3375 128.7479 56.6606 36.9229 174.2137 *11 G 3.8399 7.8046 107.0138 45.2694 0.0000 171.2111 12 K 4.2172 8.2173 115.5963 56.8560 34.0915 176.9871 *16 K 4.1982 8.5672 128.6115 56.0422 34.6844 175.1221 17 R 4.6014 7.7475 117.3408 54.7605 31.9834 176.4015 18 H 4.6267 8.4522 127.3592 58.3759 30.1095 175.0306 19 R 3.8101 8.4341 109.2031 56.7693 25.8668 175.4021 20 K 4.2021 7.4576 121.3409 54.9010 33.5351 176.6208 21 V 3.6344 8.1092 122.6194 62.8642 31.9028 175.1975 22 L 4.5713 8.3609 127.4082 53.2851 42.1738 176.0464 23 R 4.5453 8.1793 118.6941 55.8419 32.3427 174.2097 24 D 4.5378 8.8608 116.5245 55.6440 39.7524 175.0156 25 N 4.5765 7.5730 115.7957 54.6097 38.4387 176.5921 26 I 3.7271 7.7312 120.2710 63.7744 37.9046 176.9630 27 Q 4.3216 7.9497 117.4539 57.4818 28.6716 177.8616 28 G 3.9417 8.1406 106.7847 45.8948 0.0000 174.2439 29 I 4.1198 7.3459 122.4072 60.3228 35.8934 176.3224 30 T 4.1895 7.8814 116.3426 60.4910 71.1057 175.1989 31 K 3.5092 8.3076 121.9661 59.2600 32.0200 176.9446 32 P 4.2203 0.0000 0.0000 65.4134 31.1981 178.4758 33 A 3.9757 7.8345 119.1937 55.3240 18.2777 179.7934 34 I 3.7032 8.0521 118.5535 64.4032 37.0671 178.6311 35 R 3.9839 8.5869 120.0662 59.5389 29.9443 178.7830 36 R 3.9246 8.2469 117.9385 59.3105 30.1082 179.0037 37 L 3.9803 8.1755 118.5998 57.7814 41.5202 179.4975 38 A 4.0075 8.3031 120.8626 55.0751 18.2943 179.8783 39 R 3.8389 8.2991 116.9070 59.5556 29.9919 179.3402 40 R 4.2006 7.9776 117.0939 59.0369 30.1097 177.8866 41 G 3.8879 7.8636 103.0267 44.6817 0.0000 174.1888 42 G 3.8632 8.2155 109.0519 45.6377 0.0000 173.6042 43 V 3.9555 7.8587 119.6492 61.6697 32.1345 175.8125 44 K 4.3510 8.5720 127.1905 56.9901 33.2825 176.1402 45 R 4.6963 7.6153 116.9188 54.5079 33.1051 173.8059 46 I 4.5265 8.0672 124.0667 59.3172 40.8657 175.3456 47 S 4.3175 8.4552 119.5547 57.5965 63.0301 174.9845 48 G 3.8708 8.6887 114.5723 48.6600 0.0000 174.4962 49 L 4.2863 7.8170 117.8750 55.8032 42.2234 178.9370 50 I 3.5586 7.6130 120.8111 64.2873 36.8111 177.8201 51 Y 4.0733 7.1138 117.1601 61.1271 37.8561 178.0394 52 E 4.0492 8.2210 119.7332 58.9589 29.8100 178.2198 53 E 3.9362 7.9459 119.8193 59.5677 29.6265 178.9742 54 T 3.8839 8.2649 116.1813 66.5745 68.3866 176.8749 55 R 4.0412 8.1952 120.2018 59.1991 30.1247 179.2983 56 G 3.6172 8.1514 105.4401 47.8824 0.0000 175.9310 57 V 3.6392 7.9339 120.9591 65.5719 31.5692 177.9005 58 L 3.9976 8.3276 120.5556 57.8534 41.8619 178.8020 59 K 3.9575 8.3987 120.0275 59.4804 32.1616 178.9420 60 V 3.7567 7.8041 118.4422 65.8976 31.5536 177.5843 61 F 4.0467 8.4356 120.4503 61.4726 39.1735 177.0963 62 L 4.0163 8.6666 118.7968 57.8353 41.3487 179.2359 63 E 3.9441 8.5875 118.9253 59.5811 29.2654 179.3333 64 N 4.2314 8.0676 116.2738 56.2292 38.5334 177.7827 65 V 3.4303 7.3092 119.3303 66.0124 31.6153 178.1087 66 I 3.6615 7.9442 119.9577 64.1894 36.9110 178.1751 67 R 3.8356 8.1350 119.7322 59.8522 29.9184 178.3773 68 D 4.2499 7.8808 118.1832 57.1193 40.6871 178.6635 69 A 4.3784 8.4085 121.8322 55.3354 18.3840 179.9245 70 V 3.5828 8.3437 117.1604 66.2349 31.5591 178.4267 71 T 3.8670 7.7791 115.7834 66.6884 68.3418 176.2356 72 Y 4.1819 7.9735 118.6740 61.2581 37.6862 178.4788 73 T 3.9601 8.2205 116.8386 66.9476 68.5846 176.5136 74 E 4.0803 8.6361 120.7490 59.6756 29.2417 178.9276 75 H 4.1140 8.2722 117.2027 58.7342 29.9720 176.1929 76 A 4.3733 7.7885 119.5225 51.0962 18.6873 177.0482 77 K 3.8138 7.8863 115.9670 57.7120 30.1906 175.8654 78 R 4.6282 7.8723 116.4865 54.9209 31.9830 176.6443 79 K 4.4875 8.4711 116.6759 56.4154 33.3730 176.3625 80 T 4.5181 7.5821 116.0780 61.3020 70.5395 173.8021 81 V 3.9842 8.6613 126.4955 62.1373 32.1311 176.1547 82 T 4.4626 8.9371 118.3219 60.3970 71.7539 175.6984 83 A 3.9468 8.3305 123.0222 55.5542 18.3061 179.8807 84 M 3.6224 7.8769 116.7846 58.4073 31.9954 178.3933 85 D 4.3340 7.9365 119.0964 57.3270 40.9834 179.1631 86 V 3.5170 7.4977 118.4861 65.9576 31.4989 178.1541 87 V 3.5540 7.8924 118.3974 66.3756 31.2744 177.6482 88 Y 4.2598 7.7426 116.3229 60.9033 37.0560 178.2115 89 A 4.2843 8.1268 121.8605 55.1958 18.4741 179.7057 90 L 3.9534 8.4364 117.9632 57.7602 41.6498 179.5856 91 K 3.9958 8.4151 120.0966 59.5326 31.9967 178.8369 92 R 4.1310 8.2103 114.3796 58.1829 29.4613 177.5886 93 Q 4.5574 7.4009 116.9823 54.9066 29.0586 175.3871 94 G 3.9757 8.1920 107.4802 47.0000 0.0000 174.7146 95 R 4.7310 8.1482 115.2019 54.5123 30.7982 176.8627 96 T 3.8821 7.9789 113.1350 64.2797 69.2662 173.7082 97 L 4.7583 8.5451 126.8892 53.3697 44.5047 174.9294 98 Y 4.9874 8.3393 123.0536 57.4794 40.0654 175.6095 99 G 3.9248 8.8218 109.2759 45.7384 0.0000 174.5475 100 F 4.5105 8.3117 117.0375 57.2680 39.8198 174.3975 101 G 3.6671 8.6351 106.6422 45.3098 0.0000 174.7108 102 G 4.1508 8.4311 106.3921 45.9142 0.0000 173.6947 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 S 8.32 4.31 0.00 3.85 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 2 G 7.82 3.26 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 0.00 3 R 8.50 4.73 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 4 G 8.39 4.34 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 0.00 5 K 8.34 3.93 0.00 1.68 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.26 7.81 *11 G 7.80 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 0.00 0.00 0.00 12 K 8.22 4.22 0.00 1.70 1.57 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *16 K 8.57 4.20 0.00 1.74 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 17 R 7.75 4.60 0.00 1.81 1.85 0.00 3.32 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 18 H 8.45 4.63 0.00 3.07 3.13 0.00 5.76 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.43 3.81 0.00 1.96 2.17 0.00 3.26 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 20 K 7.46 4.20 0.00 1.63 1.63 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 21 V 8.11 3.63 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 0.85 0.00 0.00 0.92 0.00 0.00 22 L 8.36 4.57 0.00 1.66 1.59 0.92 0.87 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 23 R 8.18 4.55 0.00 1.93 1.97 0.00 3.12 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 24 D 8.86 4.54 0.00 2.93 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 25 N 7.57 4.58 0.00 2.96 2.85 0.00 0.00 6.68 7.10 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 26 I 7.73 3.73 1.89 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 1.66 1.24 0.92 0.00 0.00 27 Q 7.95 4.32 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 28 G 8.14 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 29 I 7.35 4.12 2.01 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 1.49 0.89 0.93 0.00 0.00 30 T 7.88 4.19 4.19 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 1.26 0.00 0.00 31 K 8.31 3.51 0.00 1.25 1.54 0.00 0.90 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 0.21 7.81 32 P 0.00 4.22 0.00 2.17 2.05 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 33 A 7.83 3.98 1.36 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 0.00 0.00 0.00 34 I 8.05 3.70 2.29 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 1.47 0.78 1.00 0.00 0.00 35 R 8.59 3.98 0.00 2.05 2.15 0.00 3.12 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 36 R 8.25 3.92 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 37 L 8.18 3.98 0.00 1.83 1.70 0.91 0.62 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 38 A 8.30 4.01 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 39 R 8.30 3.84 0.00 2.01 2.00 0.00 3.31 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 40 R 7.98 4.20 0.00 1.81 2.10 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 41 G 7.86 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 42 G 8.22 3.86 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 0.00 0.00 0.00 43 V 7.86 3.96 2.10 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 0.76 0.00 0.00 0.94 0.00 0.00 44 K 8.57 4.35 0.00 1.74 1.80 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 45 R 7.62 4.70 0.00 1.74 1.71 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 46 I 8.07 4.53 1.90 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 1.25 0.78 0.57 0.00 0.00 47 S 8.46 4.32 0.00 3.82 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 48 G 8.69 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 0.00 0.00 0.00 0.00 49 L 7.82 4.29 0.00 1.73 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.61 3.56 1.42 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.58 0.00 0.00 51 Y 7.11 4.07 0.00 3.13 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 52 E 8.22 4.05 0.00 2.13 1.96 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 2.40 2.44 0.00 53 E 7.95 3.94 0.00 2.15 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 2.27 2.37 0.00 54 T 8.26 3.88 4.39 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 1.21 0.00 0.00 55 R 8.20 4.04 0.00 2.06 2.01 0.00 3.37 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 56 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.64 2.21 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 1.07 0.00 0.00 0.98 0.00 0.00 58 L 8.33 4.00 0.00 1.77 1.88 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.40 3.96 0.00 1.96 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.47 7.81 60 V 7.80 3.76 2.27 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 0.97 0.00 0.00 0.98 0.00 0.00 61 F 8.44 4.05 0.00 3.19 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 62 L 8.67 4.02 0.00 1.84 1.74 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.59 3.94 0.00 2.16 1.99 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 2.33 2.50 0.00 64 N 8.07 4.23 0.00 2.70 2.73 0.00 0.00 6.69 7.35 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 65 V 7.31 3.43 1.83 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 1.03 0.00 0.00 0.34 0.00 0.00 66 I 7.94 3.66 1.96 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 1.40 0.43 0.90 0.00 0.00 67 R 8.13 3.84 0.00 1.92 2.07 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 68 D 7.88 4.25 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.38 1.41 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 0.00 0.00 70 V 8.34 3.58 2.14 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 1.07 0.00 0.00 1.00 0.00 0.00 71 T 7.78 3.87 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 1.02 0.00 0.00 72 Y 7.97 4.18 0.00 3.38 3.16 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 73 T 8.22 3.96 4.45 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 1.32 0.00 0.00 74 E 8.64 4.08 0.00 1.98 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 2.34 2.52 0.00 75 H 8.27 4.11 0.00 3.20 3.57 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.79 4.37 1.43 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 0.00 0.00 0.00 77 K 7.89 3.81 0.00 1.92 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 78 R 7.87 4.63 0.00 1.98 1.87 0.00 3.15 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 79 K 8.47 4.49 0.00 1.72 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 80 T 7.58 4.52 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 1.22 0.00 0.00 81 V 8.66 3.98 2.09 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 0.84 0.00 0.00 0.95 0.00 0.00 82 T 8.94 4.46 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 1.22 0.00 0.00 83 A 8.33 3.95 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 84 M 7.88 3.62 0.00 1.59 1.99 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 85 D 7.94 4.33 0.00 2.88 3.01 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 86 V 7.50 3.52 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 0.87 0.00 0.00 0.91 0.00 0.00 87 V 7.89 3.55 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 1.00 0.00 0.00 0.94 0.00 0.00 88 Y 7.74 4.26 0.00 2.42 2.25 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 0.00 89 A 8.13 4.28 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 0.00 0.00 0.00 0.00 0.00 90 L 8.44 3.95 0.00 1.88 2.01 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.42 4.00 0.00 2.01 2.05 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.53 7.81 92 R 8.21 4.13 0.00 2.08 2.18 0.00 3.35 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.73 0.00 93 Q 7.40 4.56 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 94 G 8.19 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.15 4.73 0.00 1.89 1.98 0.00 3.47 0.00 0.00 3.45 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 96 T 7.98 3.88 4.22 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 1.35 0.00 0.00 97 L 8.55 4.76 0.00 1.60 1.59 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.34 4.99 0.00 2.96 2.71 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 0.00 0.00 0.00 0.00 99 G 8.82 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 0.00 0.00 0.00 100 F 8.31 4.51 0.00 3.02 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 0.00 101 G 8.64 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.