NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6235 8.3649 120.3163 52.9499 39.5511 174.9926 6 E 4.0041 8.3639 125.0321 56.0712 30.3003 175.3459 7 T 4.4317 8.0932 120.5758 63.1194 70.4605 174.4144 8 A 4.4507 9.0170 127.8087 52.5544 21.4461 176.5143 9 F 5.2070 8.1380 112.0333 55.8686 43.8711 174.3135 10 L 5.1507 9.1686 123.0371 54.0540 45.8475 173.7383 11 N 5.3082 9.6186 125.8049 52.1406 41.0693 173.2860 12 S 4.7510 8.9248 122.1373 56.8124 62.9916 172.6352 13 L 4.7984 8.0732 128.9744 53.6534 44.8862 175.2706 14 F 5.6041 8.4556 121.4145 54.9631 43.6883 172.8181 *16 D 4.8031 8.5382 118.5018 55.0378 42.0056 175.9131 17 F 5.1686 9.3057 123.4551 57.1163 39.9364 176.2416 18 T 4.3850 9.0462 109.7552 62.9482 69.4001 175.2891 19 S 4.4722 7.5684 116.3327 56.3309 66.8882 174.6246 20 E 3.8863 8.3558 122.9927 59.1268 29.4133 178.7549 21 N 4.2952 8.0104 116.3700 56.2407 38.5979 176.9032 22 E 4.0604 8.1632 119.8905 59.2987 29.6025 178.8743 23 L 2.5381 7.2020 119.8024 57.9693 41.9730 178.8705 24 E 3.9154 8.1784 118.2319 59.3878 29.2200 179.0371 25 L 4.0164 7.6836 118.9871 58.1788 42.4188 178.5892 26 F 3.9025 8.4603 120.5995 61.3207 39.1214 177.1555 27 L 4.0566 7.8834 117.1411 57.4677 41.4600 178.7772 28 K 4.4499 8.1573 115.9611 56.7043 32.2900 177.2852 29 S 4.7421 7.7311 114.5742 58.0265 64.5645 175.8884 30 L 3.8965 7.9878 123.7239 58.0321 41.4544 179.3241 31 D 4.1818 8.0589 116.9110 56.8159 40.9082 177.0370 32 E 4.2754 8.0128 117.2932 57.2630 30.0930 176.8322 33 V 4.1147 7.6424 115.9340 64.0260 33.2602 176.6450 34 W 4.4726 8.5079 122.0786 55.2913 27.5315 176.5934 35 S 4.5263 7.5312 117.6894 57.5121 65.2167 174.9574 36 E 4.1199 8.6807 122.2149 59.6055 29.3541 178.1975 37 D 4.3312 8.1263 117.6470 57.0822 41.3051 177.8261 38 L 3.8552 7.7958 120.3822 58.4437 42.1633 178.4123 39 Y 4.4807 7.9083 116.6929 61.2711 37.9154 178.7760 40 S 4.1476 8.5442 114.1177 61.6694 62.3836 176.5631 41 R 3.9968 8.3335 120.9644 59.1319 29.7721 179.1659 42 L 4.1606 8.5781 119.3263 57.7108 41.5658 179.1016 43 S 4.4507 9.0340 114.6332 60.9510 62.1031 176.3561 44 A 4.0760 7.9021 120.6585 54.2650 18.4215 178.4351 45 A 4.4655 8.0044 116.8776 51.8119 19.2630 177.2943 46 G 3.5991 7.3617 106.9001 44.3953 0.0000 173.0058 47 L 4.6246 8.4690 124.7068 54.8931 42.5200 177.2803 48 I 4.0973 8.8406 128.0456 63.4003 38.3292 176.1871 49 R 4.6057 7.5177 119.6617 55.3447 33.8643 173.5620 50 H 4.8928 8.3713 123.2179 54.8467 32.4848 172.3112 51 V 4.1493 8.1061 126.4841 60.9445 33.3882 174.6195 52 I 4.5956 8.0886 128.4436 59.4679 39.1952 175.0265 53 S 4.7670 8.9557 120.9764 56.4233 66.7725 173.7950 54 K 4.6674 8.6464 120.2025 56.2908 33.2569 176.5067 55 V 4.4815 8.0871 120.9786 60.7393 34.2091 174.8195 56 W 4.1481 9.1456 135.0000 57.5787 30.8064 174.7719 57 N 3.9605 7.3583 121.4656 53.5369 40.4056 174.7991 *58 K 4.1769 8.6087 130.9612 57.6235 32.2999 175.4415 59 E 4.1773 8.2409 113.2990 58.2338 29.8617 181.0345 60 Q 4.5841 7.7516 114.3998 54.7035 32.9721 175.2009 61 H 4.8847 8.2459 117.3006 54.2991 27.7303 172.7197 62 R 5.0968 8.0342 120.3111 54.2837 32.4643 174.9608 63 I 4.8012 8.4085 118.4097 59.4845 41.1747 174.8998 64 S 5.3321 8.6443 119.4800 56.0512 65.7153 172.0129 *66 V 4.1683 8.0506 118.2348 62.9121 32.7093 174.4677 67 F 5.0690 9.7003 126.9158 55.6888 41.7136 174.1749 68 E 5.1087 8.7107 123.0938 54.7499 32.2839 174.7937 69 Y 5.5552 9.0982 121.2099 56.2232 41.7435 176.0439 70 D 4.9861 9.4523 121.0983 54.6670 41.0232 175.7701 71 S 4.7707 7.7547 112.9317 56.7342 65.2628 177.1101 72 K 3.2128 8.2894 121.1827 59.2892 31.7930 178.3288 73 E 4.0197 8.1525 119.2903 58.7121 29.4945 178.9162 74 G 3.9995 7.9113 105.6905 47.6861 0.0000 174.7835 75 Y 2.5256 7.5285 122.5454 59.8180 38.6655 178.0907 76 Q 3.2022 7.5193 119.9520 58.8819 29.2261 177.9888 77 K 3.7622 8.1734 120.8926 59.8840 32.2067 178.4714 78 C 4.1550 8.1208 116.9965 62.7391 27.9148 175.8790 79 Q 3.7652 7.9217 121.6510 59.0384 28.5182 178.1396 80 E 3.8463 8.0294 119.6301 59.3735 29.4797 179.4129 81 I 3.5986 7.5729 119.7489 64.3030 37.1592 178.6455 82 I 3.2206 7.6762 120.5646 64.2873 36.9249 178.1855 83 D 4.3730 8.1844 120.0119 57.1690 40.6484 178.9300 84 K 3.8253 7.8689 119.9893 59.3577 32.0024 178.1513 85 E 3.6765 7.7638 119.5705 59.5425 29.1664 178.7461 86 F 4.5937 7.5916 115.5011 59.7373 39.4179 178.1056 87 G 3.8318 8.4263 104.9989 46.5605 0.0000 173.8530 88 I 4.4377 7.4175 118.7669 63.4046 39.6790 177.6636 89 T 3.8736 7.9767 115.1764 66.6872 68.6188 176.5373 90 L 4.6193 9.0041 120.9193 54.5601 41.9557 178.5651 91 K 3.8637 7.4494 120.3107 60.2117 31.9213 178.0912 92 E 4.1355 8.1328 117.8888 59.3554 29.2703 179.3814 93 K 4.1206 8.0436 117.1597 59.1111 32.5185 178.5141 94 L 4.6589 8.0160 117.7094 55.9756 41.6272 178.9549 95 K 4.0189 7.5798 117.3290 58.9446 32.0833 178.1134 96 K 3.9915 7.8227 115.8766 57.7113 32.8985 176.4264 97 F 5.2325 7.9581 119.5272 55.8535 40.5884 174.6996 98 V 4.3289 9.2672 126.8637 60.9548 32.8908 174.6369 99 F 5.0627 7.7074 121.3195 55.5844 41.1806 173.0271 100 K 4.6368 8.7920 120.8725 54.7420 33.9020 175.1897 101 I 4.7027 8.4311 127.6833 60.3970 39.1293 174.7434 102 H 4.9350 9.3928 123.1033 54.2869 31.6186 172.5151 103 N 5.2429 8.9534 120.5243 52.0653 41.3071 175.2985 104 N 4.8944 9.2037 118.8283 52.2454 41.6244 172.3778 105 R 4.6442 8.4793 121.8309 54.7603 31.2646 175.8056 106 G 4.4336 9.2116 111.1558 44.4064 0.0000 170.8217 107 V 4.2421 8.1678 119.7532 59.5337 33.0469 175.9969 108 V 3.6393 8.0489 125.9049 63.2132 31.2023 175.9824 109 V 4.1802 8.4245 120.3316 62.2679 33.3642 175.7849 110 S 4.6262 7.5762 111.0600 57.2004 65.0673 172.8253 111 E 4.6177 8.4704 125.0989 54.9171 32.3368 173.8766 112 F 4.8837 8.7871 128.0948 56.4084 41.3613 174.6480 113 I 4.2114 6.7606 126.7198 58.9808 40.5814 175.1730 114 R 3.8256 8.0547 125.2747 55.8658 30.7436 176.3308 115 S 4.2390 8.4932 119.2777 58.9562 62.7854 174.1359 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 5 D 8.36 4.62 0.00 2.83 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 6 E 8.36 4.00 0.00 2.32 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 0.00 2.31 1.96 0.00 7 T 8.09 4.43 4.24 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 1.33 0.00 0.00 8 A 9.02 4.45 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 9 F 8.14 5.21 0.00 3.14 2.98 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 10 L 9.17 5.15 0.00 1.73 1.52 0.94 0.87 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 11 N 9.62 5.31 0.00 3.00 2.91 0.00 0.00 6.27 8.49 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 12 S 8.92 4.75 0.00 3.91 3.80 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 0.00 0.00 0.00 0.00 13 L 8.07 4.80 0.00 1.83 1.57 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.46 5.60 0.00 3.02 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 *16 D 8.54 4.80 0.00 2.68 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 17 F 9.31 5.17 0.00 3.04 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 18 T 9.05 4.38 4.31 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 1.28 0.00 0.00 19 S 7.57 4.47 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 20 E 8.36 3.89 0.00 1.98 1.90 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 2.34 2.54 0.00 21 N 8.01 4.30 0.00 2.85 2.85 0.00 0.00 7.17 7.66 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 22 E 8.16 4.06 0.00 2.31 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 0.00 2.51 2.43 0.00 23 L 7.20 2.54 0.00 1.34 1.68 1.03 1.38 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 24 E 8.18 3.92 0.00 2.03 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 2.32 2.44 0.00 25 L 7.68 4.02 0.00 1.82 2.16 1.01 0.83 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 26 F 8.46 3.90 0.00 2.64 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 27 L 7.88 4.06 0.00 1.81 1.73 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.16 4.45 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.59 7.81 29 S 7.73 4.74 0.00 3.83 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 30 L 7.99 3.90 0.00 1.71 1.79 0.91 0.90 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 31 D 8.06 4.18 0.00 2.67 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 32 E 8.01 4.28 0.00 2.13 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 2.33 2.25 0.00 33 V 7.64 4.11 1.92 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 0.43 0.00 0.00 0.79 0.00 0.00 34 W 8.51 4.47 0.00 3.41 2.98 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 35 S 7.53 4.53 0.00 4.08 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 36 E 8.68 4.12 0.00 2.15 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 2.46 2.47 0.00 37 D 8.13 4.33 0.00 2.84 2.65 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 38 L 7.80 3.86 0.00 1.66 1.66 0.65 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.91 4.48 0.00 3.30 2.98 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 40 S 8.54 4.15 0.00 4.02 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 41 R 8.33 4.00 0.00 1.99 1.96 0.00 3.14 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 42 L 8.58 4.16 0.00 1.86 1.93 1.21 0.86 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 43 S 9.03 4.45 0.00 4.03 4.14 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 44 A 7.90 4.08 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 45 A 8.00 4.47 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 46 G 7.36 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.47 4.62 0.00 2.05 1.73 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.84 4.10 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.95 0.00 0.00 49 R 7.52 4.61 0.00 1.77 1.61 0.00 3.08 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 50 H 8.37 4.89 0.00 2.97 2.97 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.11 4.15 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 0.71 0.00 0.00 0.78 0.00 0.00 52 I 8.09 4.60 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.20 0.88 0.00 0.00 53 S 8.96 4.77 0.00 3.83 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 54 K 8.65 4.67 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 V 8.09 4.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.08 0.00 0.00 56 W 9.15 4.15 0.00 3.42 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 57 N 7.36 3.96 0.00 2.56 2.51 0.00 0.00 7.14 6.68 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 *58 K 8.61 4.18 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 59 E 8.24 4.18 0.00 1.99 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 0.00 2.26 2.15 0.00 60 Q 7.75 4.58 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.26 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 61 H 8.25 4.88 0.00 3.27 3.30 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.03 5.10 0.00 1.89 1.81 0.00 3.04 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 63 I 8.41 4.80 1.95 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 1.40 0.62 1.04 0.00 0.00 64 S 8.64 5.33 0.00 4.23 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 *66 V 8.05 4.17 1.92 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 0.94 0.00 0.00 0.84 0.00 0.00 67 F 9.70 5.07 0.00 3.04 2.56 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 68 E 8.71 5.11 0.00 1.83 1.80 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 0.00 2.21 2.20 0.00 69 Y 9.10 5.56 0.00 3.05 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 70 D 9.45 4.99 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 71 S 7.75 4.77 0.00 4.06 4.08 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 72 K 8.29 3.21 0.00 1.25 1.66 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.32 7.81 73 E 8.15 4.02 0.00 2.01 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 0.00 2.32 2.29 0.00 74 G 7.91 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 75 Y 7.53 2.53 0.00 2.42 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.20 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 77 K 8.17 3.76 0.00 1.97 1.73 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.50 7.81 78 C 8.12 4.16 0.00 3.13 3.13 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 0.00 0.00 0.00 0.00 79 Q 7.92 3.77 0.00 1.38 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.44 0.00 80 E 8.03 3.85 0.00 2.14 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 0.00 2.21 2.42 0.00 81 I 7.57 3.60 1.95 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 1.45 0.95 0.80 0.00 0.00 82 I 7.68 3.22 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.05 0.00 0.00 83 D 8.18 4.37 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.87 3.83 0.00 1.76 1.68 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 85 E 7.76 3.68 0.00 1.82 1.12 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 1.47 1.86 0.00 86 F 7.59 4.59 0.00 3.09 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 87 G 8.43 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.42 4.44 1.98 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 1.41 1.25 0.90 0.00 0.00 89 T 7.98 3.87 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 1.18 0.00 0.00 90 L 9.00 4.62 0.00 1.74 1.77 1.11 0.57 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 7.45 3.86 0.00 1.81 1.96 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 92 E 8.13 4.14 0.00 2.03 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 2.41 2.35 0.00 93 K 8.04 4.12 0.00 1.94 1.97 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 94 L 8.02 4.66 0.00 2.03 1.88 1.11 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.58 4.02 0.00 1.76 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.52 7.81 96 K 7.82 3.99 0.00 1.56 1.71 0.00 1.17 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.97 0.21 7.81 97 F 7.96 5.23 0.00 3.49 3.56 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 98 V 9.27 4.33 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 0.73 0.00 0.00 0.90 0.00 0.00 99 F 7.71 5.06 0.00 2.52 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 0.00 0.00 0.00 100 K 8.79 4.64 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.34 7.81 101 I 8.43 4.70 1.94 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 1.60 1.15 0.97 0.00 0.00 102 H 9.39 4.94 0.00 3.32 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.95 5.24 0.00 2.64 2.77 0.00 0.00 6.94 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.20 4.89 0.00 2.86 2.77 0.00 0.00 7.12 7.72 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 0.00 105 R 8.48 4.64 0.00 1.62 1.65 0.00 3.12 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 106 G 9.21 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 0.00 0.00 0.00 0.00 107 V 8.17 4.24 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 0.70 0.00 0.00 0.52 0.00 0.00 108 V 8.05 3.64 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 0.76 0.00 0.00 0.89 0.00 0.00 109 V 8.42 4.18 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 0.73 0.00 0.00 0.92 0.00 0.00 110 S 7.58 4.63 0.00 3.78 3.68 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 0.00 111 E 8.47 4.62 0.00 1.91 1.75 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 2.17 2.30 0.00 112 F 8.79 4.88 0.00 3.01 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 0.00 113 I 6.76 4.21 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.75 0.00 0.00 114 R 8.05 3.83 0.00 1.86 1.78 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 115 S 8.49 4.24 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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.