NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6305 8.1633 120.6113 55.4380 34.2668 173.7928 2 K 4.8542 8.9687 122.1111 53.5764 36.6424 173.3159 3 L 5.0768 9.7421 125.7368 53.5844 44.8085 174.7119 4 I 4.8541 8.8295 128.1687 59.9416 39.3677 174.8861 5 V 4.8631 9.2048 127.0567 61.1327 34.1185 173.8704 6 A 5.0949 9.1334 130.1652 50.1183 22.2015 174.7000 7 I 4.8731 8.6954 123.3623 59.8330 39.3220 175.3251 8 V 4.8135 8.7035 120.2862 58.9490 36.1213 175.8890 9 R 4.3228 8.4042 121.1054 55.6063 30.8964 176.3778 10 P 4.2555 0.0000 0.0000 65.6816 31.4664 178.1588 11 E 4.1847 8.1588 113.5219 57.7213 29.8485 177.6769 12 K 4.4547 7.9741 118.7978 56.0826 32.8606 177.4192 13 L 3.9580 7.8043 122.3944 58.4003 42.0011 178.6102 14 N 4.3417 8.0972 115.8010 56.3419 38.5166 177.1056 15 E 3.9834 8.1102 119.5838 59.3129 29.5270 179.4515 16 V 3.5999 7.9465 118.3203 66.0254 31.6506 178.1586 17 L 4.0063 8.2925 119.1769 57.5023 41.3349 179.4813 18 K 3.9893 8.2879 119.5098 59.4983 32.3005 178.7882 19 A 4.0219 8.2027 121.1243 55.0840 18.1954 179.6488 20 L 3.9402 8.2552 117.7268 57.9091 41.7288 179.4222 21 F 4.1215 8.3832 120.5753 61.5425 39.1357 177.1654 22 Q 3.9765 8.3827 115.9558 57.8652 28.5632 177.3025 23 A 4.3430 7.4282 119.7998 51.4011 18.9780 177.0968 24 E 3.4808 7.5169 116.0930 57.0489 27.3475 174.1357 25 V 4.0991 7.9013 119.5648 61.8100 32.3380 175.1983 26 R 4.4445 8.6864 125.2845 57.4583 32.0941 176.6599 27 G 3.8225 7.9817 107.0440 45.0432 0.0000 172.3362 28 L 4.7051 7.8863 123.9616 55.5064 43.1631 173.5803 29 T 4.9743 8.5725 108.9492 60.2236 72.4881 172.6259 30 L 5.3137 8.3054 121.2597 55.1483 43.7154 174.4447 31 S 4.6695 8.7175 113.2644 57.6055 66.7763 173.3560 32 R 4.8393 8.4465 119.5822 55.7302 31.1777 176.2944 33 V 4.6372 8.7154 114.8302 60.0615 36.9276 173.8818 34 Q 5.0121 8.6819 120.2831 54.3571 31.2126 175.2695 35 G 4.3067 9.5500 110.5890 44.7728 0.0000 171.1727 36 H 5.1057 8.6747 118.6522 54.9490 33.2063 173.5211 37 G 3.6134 7.3369 108.8645 47.2769 0.0000 175.8844 *54 E 4.0849 7.6467 119.6239 55.7624 29.7658 174.3583 55 L 4.8956 7.6486 124.5814 54.0306 44.5679 175.6186 56 H 5.0892 8.9815 118.6719 53.6144 32.3963 173.2335 57 E 4.6510 8.7586 121.2062 56.3722 30.1146 176.3239 58 K 4.7746 9.3110 122.2610 54.9023 37.6640 175.0424 59 V 4.7756 8.8610 121.3821 61.1863 34.5368 174.0326 60 R 5.0297 8.9945 128.5521 54.8132 31.8871 174.4810 61 L 5.1868 9.0417 127.0118 53.0146 44.8400 175.2063 62 E 5.0907 9.1339 123.1157 54.5860 32.8249 174.4352 63 I 4.8256 8.9732 127.6414 59.4870 41.2466 174.6422 64 G 4.2087 8.8291 114.9153 45.6206 0.0000 173.0675 65 V 4.6767 8.6800 124.6141 61.0304 35.5295 174.6668 66 S 4.5730 8.9640 121.6457 57.8513 63.4022 174.3943 67 E 3.8268 8.8540 128.2559 59.0285 29.6263 177.6042 68 P 3.9667 0.0000 0.0000 64.6620 31.5691 176.9903 69 F 4.9804 8.2578 115.4145 57.2196 39.7221 177.5858 70 V 3.5996 7.8468 122.7649 65.8808 31.1947 177.7397 71 K 3.8559 8.0752 118.8664 59.3832 32.0058 176.7030 72 P 4.2800 0.0000 0.0000 65.8000 31.2821 178.8591 73 T 3.8863 7.8747 114.2020 66.5635 68.3395 177.0088 74 V 3.5843 8.1122 120.5010 66.0567 31.5529 177.8329 75 E 3.9457 8.5365 118.3815 59.3905 29.3044 179.2380 76 A 4.0094 8.0138 120.7227 55.1881 18.3967 179.8127 77 I 3.6431 7.7320 118.2287 64.4949 37.1730 178.5405 78 L 3.9576 8.2190 120.1972 57.8597 41.2256 179.9062 79 K 3.9647 7.9758 116.9420 59.4722 32.1144 179.0905 80 A 4.1364 7.8857 119.5757 54.3864 18.4670 178.7021 81 A 4.2525 7.9741 117.3275 52.1062 19.6215 177.6924 82 R 4.2927 6.9693 117.8199 56.1851 30.7595 176.1475 83 T 4.4222 9.6816 112.8772 60.6608 70.4733 175.2358 84 G 3.9489 8.8866 109.3596 44.9252 0.0000 172.9064 85 E 4.5409 7.7996 119.3734 54.1865 31.2964 175.7440 86 V 3.6393 8.0599 121.2069 64.7475 30.7625 176.1705 87 G 4.1006 8.9738 114.2321 45.4843 0.0000 174.9170 88 D 4.3203 7.4083 120.0649 55.4839 40.9911 175.3517 89 G 4.2038 7.5240 102.7322 44.8943 0.0000 172.2773 90 K 4.5673 8.1024 115.6525 54.8494 37.0734 175.5339 91 I 4.6671 7.7873 121.4184 59.5859 40.1384 174.9529 92 F 4.9445 9.2297 126.1001 55.6983 41.4981 174.9371 93 V 4.7718 8.6070 123.0797 61.4060 33.0642 174.3876 94 L 4.9338 8.9633 129.1620 52.2953 44.0724 174.8218 95 P 4.7852 0.0000 0.0000 62.7534 32.6314 175.5527 96 V 4.3447 7.6955 119.8633 61.3431 33.4060 175.2246 97 E 4.1397 9.1218 128.9020 58.7579 29.9548 176.7567 98 K 4.6203 7.5698 115.0003 54.7552 36.3622 175.4719 99 V 4.5965 7.7801 120.2938 60.2167 34.7897 173.7217 100 Y 5.1500 8.7043 120.1406 56.1987 41.5373 174.7595 101 R 4.4086 8.9978 124.1363 55.1229 30.9113 177.4149 102 I 3.7460 8.6238 127.9972 64.2837 37.6329 177.2893 103 R 4.0502 8.2738 119.9131 58.9166 29.7943 176.8756 104 T 4.3873 7.8828 103.9141 60.5845 70.1093 175.1224 105 G 3.9879 8.5153 110.4683 45.4533 0.0000 173.6247 106 E 4.0629 7.8039 121.2859 55.7336 30.2198 175.2880 107 E 4.2123 8.5959 126.7019 55.3945 29.8572 176.0128 108 D 4.4796 8.6597 126.1747 54.6517 40.8491 176.3500 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 M 8.16 4.63 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 2 K 8.97 4.85 0.00 1.69 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.61 7.81 3 L 9.74 5.08 0.00 1.72 1.53 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.83 4.85 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.93 0.00 0.00 5 V 9.20 4.86 2.38 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 1.13 0.00 0.00 1.01 0.00 0.00 6 A 9.13 5.09 1.20 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 0.00 0.00 0.00 7 I 8.70 4.87 1.85 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 1.31 1.21 0.94 0.00 0.00 8 V 8.70 4.81 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 0.75 0.00 0.00 0.99 0.00 0.00 9 R 8.40 4.32 0.00 1.86 2.03 0.00 3.13 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.26 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 11 E 8.16 4.18 0.00 2.07 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 2.27 2.27 0.00 12 K 7.97 4.45 0.00 1.90 1.84 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.35 1.71 7.81 13 L 7.80 3.96 0.00 1.77 1.73 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.10 4.34 0.00 2.80 2.84 0.00 0.00 7.12 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 15 E 8.11 3.98 0.00 2.18 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 2.40 2.36 0.00 16 V 7.95 3.60 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 1.12 0.00 0.00 1.00 0.00 0.00 17 L 8.29 4.01 0.00 1.71 1.70 0.92 0.75 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 18 K 8.29 3.99 0.00 1.90 2.01 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 19 A 8.20 4.02 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 20 L 8.26 3.94 0.00 1.90 1.77 0.95 1.17 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 21 F 8.38 4.12 0.00 3.20 3.24 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 22 Q 8.38 3.98 0.00 2.09 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 2.47 2.67 0.00 23 A 7.43 4.34 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 24 E 7.52 3.48 0.00 1.97 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 0.00 2.05 2.20 0.00 25 V 7.90 4.10 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 0.78 0.00 0.00 0.91 0.00 0.00 26 R 8.69 4.44 0.00 1.81 1.96 0.00 3.53 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 27 G 7.98 3.82 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 0.00 0.00 0.00 28 L 7.89 4.71 0.00 1.72 1.64 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.57 4.97 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 1.23 0.00 0.00 30 L 8.31 5.31 0.00 1.68 1.64 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.72 4.67 0.00 3.91 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 32 R 8.45 4.84 0.00 1.72 1.90 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 33 V 8.72 4.64 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 0.79 0.00 0.00 0.96 0.00 0.00 34 Q 8.68 5.01 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 35 G 9.55 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 0.00 0.00 0.00 0.00 36 H 8.67 5.11 0.00 3.02 3.17 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.34 3.61 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 0.00 0.00 0.00 0.00 *54 E 7.65 4.08 0.00 2.12 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 2.21 2.43 0.00 55 L 7.65 4.90 0.00 1.60 1.60 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.98 5.09 0.00 3.08 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.76 4.65 0.00 1.87 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 2.33 2.15 0.00 58 K 9.31 4.77 0.00 1.62 1.66 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.55 7.81 59 V 8.86 4.78 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 1.09 0.00 0.00 0.94 0.00 0.00 60 R 8.99 5.03 0.00 1.94 1.80 0.00 3.16 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 61 L 9.04 5.19 0.00 1.64 1.55 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.13 5.09 0.00 2.02 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 0.00 2.22 2.29 0.00 63 I 8.97 4.83 1.90 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 1.19 0.68 0.97 0.00 0.00 64 G 8.83 4.21 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 0.00 65 V 8.68 4.68 2.13 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 1.15 0.00 0.00 0.97 0.00 0.00 66 S 8.96 4.57 0.00 3.96 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 67 E 8.85 3.83 0.00 2.05 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 0.00 2.32 2.39 0.00 68 P 0.00 3.97 0.00 0.78 1.54 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 69 F 8.26 4.98 0.00 3.12 2.97 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 70 V 7.85 3.60 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 1.10 0.00 0.00 1.00 0.00 0.00 71 K 8.08 3.86 0.00 1.82 1.81 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 72 P 0.00 4.28 0.00 2.31 2.16 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 73 T 7.87 3.89 4.41 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 1.23 0.00 0.00 74 V 8.11 3.58 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 1.10 0.00 0.00 1.01 0.00 0.00 75 E 8.54 3.95 0.00 2.21 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 2.54 0.00 76 A 8.01 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 77 I 7.73 3.64 1.98 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 1.53 0.73 0.90 0.00 0.00 78 L 8.22 3.96 0.00 1.80 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.98 3.96 0.00 1.73 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 80 A 7.89 4.14 1.33 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 0.00 0.00 81 A 7.97 4.25 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 82 R 6.97 4.29 0.00 2.09 1.82 0.00 3.19 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 83 T 9.68 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 1.24 0.00 0.00 84 G 8.89 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 85 E 7.80 4.54 0.00 2.04 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 2.25 2.21 0.00 86 V 8.06 3.64 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 0.75 0.00 0.00 0.92 0.00 0.00 87 G 8.97 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 0.00 0.00 0.00 0.00 88 D 7.41 4.32 0.00 2.67 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 89 G 7.52 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 0.00 0.00 0.00 0.00 90 K 8.10 4.57 0.00 1.07 1.03 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 91 I 7.79 4.67 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.87 0.00 0.00 92 F 9.23 4.94 0.00 3.04 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 93 V 8.61 4.77 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 0.84 0.00 0.00 0.96 0.00 0.00 94 L 8.96 4.93 0.00 1.62 1.55 0.93 0.74 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 P 0.00 4.79 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 96 V 7.70 4.34 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 0.80 0.00 0.00 0.96 0.00 0.00 97 E 9.12 4.14 0.00 1.98 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 2.30 2.33 0.00 98 K 7.57 4.62 0.00 1.82 1.46 0.00 1.89 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 99 V 7.78 4.60 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 0.87 0.00 0.00 0.93 0.00 0.00 100 Y 8.70 5.15 0.00 2.81 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 0.00 101 R 9.00 4.41 0.00 2.18 1.84 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 102 I 8.62 3.75 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 1.32 0.69 0.92 0.00 0.00 103 R 8.27 4.05 0.00 1.78 1.99 0.00 3.20 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 T 7.88 4.39 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 1.23 0.00 0.00 105 G 8.52 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 0.00 0.00 0.00 106 E 7.80 4.06 0.00 2.04 1.85 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 2.30 2.25 0.00 107 E 8.60 4.21 0.00 1.58 1.73 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 2.03 1.86 0.00 108 D 8.66 4.48 0.00 2.64 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 * Residues marked with a * may have inaccurate shift predictions.