NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.5730 0.0000 0.0000 62.7623 32.4992 176.3507 6 R 4.2038 9.0017 118.1182 56.0428 30.2636 174.5510 7 N 4.2058 7.8142 115.7812 50.6800 42.0158 175.8081 8 L 3.8510 7.5420 120.9907 58.1360 41.9195 178.6096 9 S 4.0581 7.9092 112.7474 61.4912 62.4046 175.8878 10 E 4.0907 8.8964 121.4869 58.7219 29.0824 179.0954 11 W 4.1738 8.3916 128.8030 60.5700 30.7758 178.0962 12 I 3.5954 8.2519 119.8561 64.1630 36.5231 178.2934 13 K 3.8754 8.0152 120.4503 59.6836 31.9549 178.7513 14 E 3.9889 8.5791 119.2704 59.1944 29.3639 179.0844 15 L 2.7477 7.8842 120.8852 57.3565 41.7025 178.9317 16 K 3.7570 7.7175 118.8732 59.2161 32.5828 178.3094 17 K 4.0006 7.8786 119.5908 59.6544 32.1166 178.6642 18 A 4.0936 8.2354 121.3491 54.8031 18.0507 179.1185 19 S 4.4646 7.5923 112.3307 59.7024 63.1499 175.7576 20 R 4.4118 7.7080 120.4684 57.0617 30.3711 176.3902 21 E 4.8334 8.2354 116.0522 56.1153 31.5862 175.4267 22 A 4.9508 7.5052 119.2557 50.5167 23.1626 175.0471 23 V 3.6228 7.9000 119.3146 61.6974 33.4709 174.9248 24 I 4.5430 8.0918 128.1387 60.0432 39.0961 174.4976 25 L 5.0406 8.6089 126.7776 53.0409 44.2566 176.0814 26 V 4.3861 8.4149 115.7506 59.4534 36.0889 176.5271 27 E 4.1935 9.1723 122.0746 58.9796 30.5829 176.5309 28 G 4.5425 8.6419 107.1294 42.7360 0.0000 173.6690 29 K 3.9548 8.5357 119.5203 59.5519 32.0448 178.5728 30 N 4.4143 8.1227 116.3018 56.0564 38.5192 177.0224 31 D 4.4113 7.9390 120.2395 57.1007 41.0175 178.4209 32 K 3.9392 8.0624 120.2390 59.2972 31.9688 178.8194 33 K 3.9170 8.0146 118.9054 59.3155 32.2781 178.2793 34 A 4.1682 8.1471 121.0655 55.3527 18.3709 179.6779 35 L 4.1848 8.0315 117.4557 57.9804 41.5969 179.6258 36 S 4.2507 8.0678 113.1986 61.3171 62.0317 176.3535 37 K 3.9245 7.6680 120.2839 58.3130 31.6541 177.6225 38 F 4.6798 7.6853 116.3252 56.8762 38.9177 175.7721 39 S 3.7293 8.0496 115.1613 59.7428 60.3609 171.7318 40 I 4.2633 7.8913 121.6966 60.0322 37.0684 175.3590 41 K 4.3638 8.3307 124.6869 56.8403 34.2850 177.2452 42 N 4.6118 7.6596 119.4118 52.4363 36.8177 173.3695 43 V 4.8118 7.3757 119.3333 60.7002 35.5648 174.4542 44 I 4.6154 8.7378 128.1279 59.4072 40.0312 174.0300 45 D 5.1043 8.5922 126.5648 52.0455 40.4717 176.5426 46 L 4.1461 9.2329 125.5343 57.6113 42.5607 177.1359 47 S 4.3222 8.1319 113.7432 60.0328 62.4446 174.1882 48 G 4.0218 9.4002 115.5697 45.0640 0.0000 172.8369 49 K 4.6766 7.6167 117.6707 54.1944 35.7343 176.3119 50 R 4.0527 9.0733 120.8853 55.7610 30.9832 177.5627 51 Y 4.3611 8.0612 118.4893 61.5309 37.8351 179.0857 52 A 4.1861 8.0757 120.6063 54.7435 18.2963 179.1750 53 D 4.3384 8.1207 117.6684 57.3481 40.8812 178.6627 54 V 3.7224 7.4552 118.2182 65.7719 31.7800 177.9537 55 V 3.7663 7.7562 117.5016 65.9850 31.3056 179.3774 56 D 4.7651 7.9427 116.9235 54.4046 40.9211 177.5900 *58 L 4.5726 8.0009 121.4493 54.5223 43.7756 176.9783 59 E 4.1155 8.4072 119.0735 58.0426 29.5724 177.4449 60 G 4.0132 9.0574 113.4271 45.7498 0.0000 173.4888 61 K 4.2182 8.5253 117.9938 56.7420 34.0569 176.7289 62 W 5.0491 8.0602 115.7861 54.9947 32.6821 174.6892 63 E 4.7065 9.0560 120.0850 56.5873 31.5596 175.5432 64 K 5.2784 8.3353 119.9421 54.4858 35.9739 174.9594 65 V 4.7793 8.8837 125.2247 61.2061 35.2388 174.0099 66 I 4.7964 8.8412 128.6689 59.8402 38.8378 174.6522 67 L 4.3500 8.5623 128.3782 53.2152 42.1881 177.6435 68 L 4.8861 7.5048 124.8217 53.5189 40.8387 176.6302 69 F 4.6986 7.7603 117.0353 56.1694 41.0796 176.3409 70 D 4.7063 8.6678 122.6460 54.9597 41.1378 177.3474 71 L 4.3567 8.5680 120.4423 55.3181 42.0558 177.6034 72 D 4.6918 7.6692 120.1947 52.8759 41.8242 176.8961 73 T 3.8270 8.3493 115.1443 67.0391 68.4090 176.1250 74 H 4.1962 8.3355 119.7394 59.3417 29.8485 177.3683 75 G 4.1176 9.6385 109.9214 47.3408 0.0000 175.2937 76 E 3.9521 8.4463 121.9657 59.0015 29.6149 179.1818 77 R 3.8499 7.8975 118.1666 59.3124 29.9080 179.1475 78 I 3.3784 7.0849 118.0276 63.8882 37.0051 177.6331 79 N 4.4443 7.8458 117.4416 56.9328 39.1503 176.6458 80 Q 4.1503 8.0778 119.3604 58.6193 28.6645 178.7074 81 K 3.7643 7.5855 116.3910 57.2896 31.7475 177.9845 *83 K 4.1886 7.8903 120.0132 56.2301 34.0468 177.4136 84 E 3.9350 8.2147 118.9349 59.0876 29.4564 178.5252 85 L 3.9220 8.0306 120.3631 58.2921 42.2792 178.9057 86 L 4.2075 7.9237 118.7066 57.8833 41.6017 179.5764 87 S 4.4551 8.3391 114.5665 61.4828 62.7753 176.7057 88 S 4.2490 8.0911 116.9223 60.6268 62.7662 175.4580 89 Q 4.4696 7.7730 119.0797 55.5369 28.8738 176.3387 90 G 3.8483 8.0229 108.8793 44.8705 0.0000 173.7827 91 F 4.7717 7.8815 117.8364 56.6352 40.4455 175.2598 92 L 4.5246 9.1908 122.2943 54.0632 43.1206 175.7966 93 V 4.7300 8.4756 123.5393 61.1966 33.6316 173.9336 94 D 4.9423 9.3631 128.2705 52.9840 42.8048 176.1690 95 E 4.7685 8.7836 123.7999 56.0312 30.5940 177.3889 96 N 4.3321 8.6201 118.8072 56.4513 38.2928 177.1695 97 F 4.3027 8.2630 118.5312 60.6411 39.1295 177.5142 98 R 4.1338 8.3086 117.8824 59.7235 30.1084 178.1682 99 N 4.3630 8.6415 116.3619 56.1593 38.5289 177.4194 100 F 3.4285 8.0849 119.1380 59.9952 38.8089 177.7249 101 L 3.8815 7.5640 118.5673 57.3820 41.3849 179.4218 102 K 3.8349 7.7897 118.5509 59.4684 31.7988 179.1409 103 K 3.8232 7.3500 117.9049 58.8244 32.0768 177.8501 104 W 4.8551 7.3443 115.6819 55.5549 29.4170 175.7592 105 N 4.1049 7.8488 115.1076 54.4623 35.9456 175.3020 106 I 4.2385 7.7590 120.4210 59.8693 36.8929 176.1826 107 I 3.8416 8.2206 127.5504 63.4655 37.6315 176.3161 108 H 5.5001 8.4990 117.4313 53.6390 31.2146 175.2058 109 I 3.7961 8.9261 124.9869 64.5435 37.1380 178.4111 110 E 4.0757 8.2161 118.3265 58.9912 29.4412 178.0822 111 E 4.1355 8.0753 117.8264 58.7690 29.8057 176.9945 112 I 4.0243 7.7679 124.0272 61.5056 37.1733 175.5344 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 P 0.00 4.57 0.00 2.66 2.13 0.00 2.52 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.63 0.00 6 R 9.00 4.20 0.00 2.02 2.17 0.00 3.13 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.65 0.00 7 N 7.81 4.21 0.00 2.70 2.77 0.00 0.00 5.90 6.67 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 8 L 7.54 3.85 0.00 1.29 1.46 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.91 4.06 0.00 3.90 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 10 E 8.90 4.09 0.00 2.25 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 2.35 2.54 0.00 11 W 8.39 4.17 0.00 3.87 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 12 I 8.25 3.60 1.94 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.67 0.00 0.00 13 K 8.02 3.88 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 E 8.58 3.99 0.00 2.16 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 2.54 2.40 0.00 15 L 7.88 2.75 0.00 0.35 1.09 -0.46 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.72 3.76 0.00 1.80 1.92 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.41 7.81 17 K 7.88 4.00 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 A 8.24 4.09 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 19 S 7.59 4.46 0.00 3.85 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 20 R 7.71 4.41 0.00 2.01 2.09 0.00 3.28 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 21 E 8.24 4.83 0.00 2.00 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 2.29 2.41 0.00 22 A 7.51 4.95 1.22 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 0.00 0.00 23 V 7.90 3.62 1.70 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 0.63 0.00 0.00 -0.47 0.00 0.00 24 I 8.09 4.54 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.22 0.72 0.00 0.00 25 L 8.61 5.04 0.00 1.21 1.40 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.41 4.39 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 0.95 0.00 0.00 27 E 9.17 4.19 0.00 2.37 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 2.51 2.43 0.00 28 G 8.64 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.54 3.95 0.00 1.85 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 30 N 8.12 4.41 0.00 2.79 2.99 0.00 0.00 7.18 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 31 D 7.94 4.41 0.00 2.86 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 32 K 8.06 3.94 0.00 1.84 2.01 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 K 8.01 3.92 0.00 1.89 1.99 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 A 8.15 4.17 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.03 4.18 0.00 1.89 1.76 0.89 0.91 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 36 S 8.07 4.25 0.00 4.01 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 37 K 7.67 3.92 0.00 1.47 1.45 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.57 7.81 38 F 7.69 4.68 0.00 3.24 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 39 S 8.05 3.73 0.00 4.06 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 40 I 7.89 4.26 2.04 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.78 0.00 0.00 41 K 8.33 4.36 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.32 7.81 42 N 7.66 4.61 0.00 2.70 2.52 0.00 0.00 6.61 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 43 V 7.38 4.81 2.01 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 0.85 0.00 0.00 0.83 0.00 0.00 44 I 8.74 4.62 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 0.90 0.00 0.00 45 D 8.59 5.10 0.00 2.70 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 46 L 9.23 4.15 0.00 1.96 1.90 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.13 4.32 0.00 4.23 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 48 G 9.40 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 49 K 7.62 4.68 0.00 1.88 1.69 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 50 R 9.07 4.05 0.00 1.99 1.75 0.00 3.26 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 51 Y 8.06 4.36 0.00 3.01 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 52 A 8.08 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.34 0.00 2.83 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 54 V 7.46 3.72 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 0.71 0.00 0.00 0.99 0.00 0.00 55 V 7.76 3.77 2.34 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 1.34 0.00 0.00 1.03 0.00 0.00 56 D 7.94 4.77 0.00 2.87 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 *58 L 8.00 4.57 0.00 1.69 1.97 0.50 0.74 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 59 E 8.41 4.12 0.00 2.26 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 2.38 2.34 0.00 60 G 9.06 4.01 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 0.00 0.00 0.00 61 K 8.53 4.22 0.00 1.99 1.57 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 62 W 8.06 5.05 0.00 3.32 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 63 E 9.06 4.71 0.00 2.01 2.04 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 2.32 2.32 0.00 64 K 8.34 5.28 0.00 1.91 1.73 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.60 7.81 65 V 8.88 4.78 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 0.73 0.00 0.00 0.75 0.00 0.00 66 I 8.84 4.80 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.83 0.00 0.00 67 L 8.56 4.35 0.00 1.59 1.68 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.50 4.89 0.00 1.43 1.52 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.76 4.70 0.00 3.10 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 70 D 8.67 4.71 0.00 2.83 2.77 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 71 L 8.57 4.36 0.00 1.58 1.70 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.67 4.69 0.00 2.99 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 73 T 8.35 3.83 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 74 H 8.34 4.20 0.00 3.25 3.50 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.64 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.45 3.95 0.00 2.19 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 0.00 2.30 2.38 0.00 77 R 7.90 3.85 0.00 1.98 1.88 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 78 I 7.08 3.38 1.34 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.28 -0.19 0.00 0.00 79 N 7.85 4.44 0.00 2.94 3.04 0.00 0.00 7.28 7.18 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 80 Q 8.08 4.15 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 81 K 7.59 3.76 0.00 1.72 1.51 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.60 0.84 7.81 *83 K 7.89 4.19 0.00 1.99 2.01 0.00 2.05 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 E 8.21 3.93 0.00 2.17 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 2.29 2.35 0.00 85 L 8.03 3.92 0.00 1.75 1.66 0.99 0.67 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 86 L 7.92 4.21 0.00 1.77 1.77 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.34 4.46 0.00 4.11 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 88 S 8.09 4.25 0.00 4.09 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 89 Q 7.77 4.47 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.58 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 90 G 8.02 3.85 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 0.00 0.00 0.00 91 F 7.88 4.77 0.00 3.14 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 92 L 9.19 4.52 0.00 1.65 1.65 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.48 4.73 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 0.82 0.00 0.00 1.00 0.00 0.00 94 D 9.36 4.94 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.77 0.00 2.04 1.95 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 2.35 2.40 0.00 96 N 8.62 4.33 0.00 2.65 2.78 0.00 0.00 6.97 8.90 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 97 F 8.26 4.30 0.00 3.09 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 98 R 8.31 4.13 0.00 2.23 2.19 0.00 3.40 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 99 N 8.64 4.36 0.00 2.84 2.70 0.00 0.00 7.06 8.96 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 0.00 100 F 8.08 3.43 0.00 3.35 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 0.00 0.00 0.00 0.00 101 L 7.56 3.88 0.00 1.83 1.80 0.89 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.79 3.83 0.00 1.93 1.79 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.60 7.81 103 K 7.35 3.82 0.00 1.37 1.37 0.00 1.66 0.00 0.00 1.31 0.00 0.00 2.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 104 W 7.34 4.86 0.00 3.42 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 0.00 105 N 7.85 4.10 0.00 2.93 2.91 0.00 0.00 6.84 7.46 0.00 0.00 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 I 7.76 4.24 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.85 0.00 0.00 107 I 8.22 3.84 1.88 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 1.37 0.63 0.65 0.00 0.00 108 H 8.50 5.50 0.00 3.29 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.93 3.80 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.04 1.01 0.00 0.00 110 E 8.22 4.08 0.00 1.99 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 2.35 2.64 0.00 111 E 8.08 4.14 0.00 2.21 2.04 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 2.39 2.36 0.00 112 I 7.77 4.02 2.09 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.45 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.