NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.8434 8.3544 109.7369 44.7216 0.0000 173.2432 12 K 3.5905 8.7174 125.9115 55.6986 32.3229 174.6529 13 A 3.9661 9.4865 131.1895 52.4948 19.5600 175.9186 14 K 4.4928 8.4460 122.6185 53.8972 34.1906 176.8679 15 S 4.2400 8.6323 119.4978 58.8563 64.6134 175.4094 16 R 3.9019 8.7192 121.8214 59.6645 29.7368 179.6369 17 S 4.1558 7.9943 114.5429 61.6949 62.8863 176.1233 18 N 4.4398 7.8728 119.2684 56.3332 38.0082 177.7399 19 R 3.9270 8.1080 118.6948 59.2120 30.3164 178.6465 20 A 4.1973 7.9872 118.6904 52.4045 18.9129 177.1006 21 G 3.7303 7.7701 105.0229 47.0707 0.0000 173.5004 22 L 4.9845 8.2346 117.3860 52.7301 45.2346 177.3228 23 Q 4.3262 9.8906 120.0546 57.6443 29.3763 177.0300 24 F 4.2128 8.4971 116.2793 56.0377 39.8138 175.0208 25 P 4.5245 0.0000 0.0000 62.9698 29.4034 177.0421 26 V 3.7646 8.6382 126.7598 66.4914 31.6293 177.6320 27 G 3.6350 8.0376 105.2417 47.4156 0.0000 175.7367 28 R 3.8847 7.8948 120.5191 59.4463 30.3231 178.3988 29 I 3.7639 8.1476 120.0447 64.7056 37.1814 177.9283 30 H 4.1746 8.3141 119.0573 59.2507 29.7356 177.3204 31 R 3.9555 8.0762 120.5678 59.5341 29.7082 178.5360 32 L 4.1243 8.2234 118.1431 57.5040 41.9322 179.3435 33 L 4.3130 8.0068 119.1462 57.9158 41.5132 179.3934 34 R 3.9739 7.9212 117.4580 59.6314 30.0913 178.8258 35 K 4.3122 8.2521 113.3034 57.3535 31.8410 177.8471 36 G 3.6491 7.8505 106.9226 44.3654 0.0000 173.7211 37 N 4.0475 7.3258 116.1635 54.4544 36.1895 173.6186 38 Y 4.4319 7.4030 114.1807 59.4074 39.9331 176.3818 39 A 4.4453 7.5056 118.3899 51.1423 21.9050 175.5501 40 E 4.1146 9.1625 120.9723 58.7811 29.7476 177.6255 41 R 4.7078 7.7588 114.8180 54.0691 33.3701 174.8775 42 V 4.3190 8.2593 120.4777 60.7473 33.3418 175.7959 43 G 3.8122 8.4661 115.6347 44.8735 0.0000 173.9605 44 A 3.8848 8.6967 123.2669 55.0684 18.9075 180.6218 45 G 3.5519 8.3163 102.1285 47.6984 0.0000 175.2968 46 A 3.9720 7.4564 123.3941 54.8224 18.3290 178.0297 47 P 4.3537 0.0000 0.0000 65.8069 31.2225 178.6810 48 V 3.5489 7.2747 115.5611 66.0072 31.4729 177.2647 49 Y 3.8914 8.3804 119.5629 60.6146 38.5766 177.8552 50 L 4.0038 8.6236 121.2785 58.2315 42.1498 178.6609 51 A 4.0176 8.5283 120.8790 55.2118 18.2185 179.4850 52 A 3.8328 8.2289 119.3430 55.2644 18.4704 180.0425 53 V 3.5665 7.9901 116.9128 66.2698 31.5202 178.2065 54 M 3.8990 8.1582 118.5865 58.2904 31.7628 178.2057 55 E 2.7465 7.5528 119.5086 59.0100 29.6059 177.8900 56 Y 4.1276 7.9424 119.5002 61.0754 38.8159 178.3167 57 L 3.3660 7.8381 119.2250 57.5660 41.6404 179.5111 58 A 3.9625 8.0366 120.6208 54.8532 18.1596 179.5980 59 A 3.9097 7.9553 119.6535 55.1030 18.6335 179.3235 60 E 3.6129 8.0275 118.2145 59.3419 29.5680 179.3721 61 V 3.5514 7.6237 118.1084 65.9343 31.6166 178.0315 62 L 4.0244 7.9957 118.8293 57.5845 41.0897 179.0348 63 E 3.8949 8.8499 120.1173 59.3283 29.6145 179.0006 64 L 3.9642 7.7244 118.0486 57.8837 41.8080 179.3806 65 A 4.1302 8.5125 121.2100 54.9513 18.0701 179.9628 66 G 3.5061 8.3154 104.5133 48.1198 0.0000 175.6890 67 N 4.3163 7.8612 118.9052 55.9325 38.1375 177.3711 68 A 4.2319 8.3862 123.1687 54.5284 18.4146 179.5012 69 A 3.3265 7.7864 119.0970 54.5616 18.3004 179.3059 70 R 4.2860 7.5969 116.7837 58.1769 29.9996 177.6008 71 D 4.4860 8.0910 117.7529 55.7411 41.1633 176.8121 72 N 4.6899 7.3583 115.8104 52.3566 39.7752 173.9377 73 K 3.8639 7.5749 114.9962 58.4907 29.5802 175.4204 74 K 4.7514 8.5506 116.0863 55.1539 36.1922 177.0017 75 T 4.2374 8.4938 116.6800 64.2424 69.6419 175.2039 76 R 4.4737 7.6897 121.3169 54.0847 31.1490 175.5709 77 I 4.0042 8.4382 127.1729 61.3742 37.7249 175.3040 78 I 4.6080 8.0833 117.4620 57.6572 40.7163 174.3199 79 P 4.1899 0.0000 0.0000 66.0070 30.8822 178.8446 80 R 3.8857 7.8485 116.8691 59.5961 30.0201 178.1262 81 H 4.2803 8.1161 116.1408 58.8820 28.6712 177.7526 82 L 3.9955 7.8863 120.2732 57.6862 41.4699 179.0709 83 Q 3.9325 8.1770 119.3999 59.2925 29.1746 178.2775 84 L 3.9691 8.0275 119.6032 57.9562 41.4810 179.5869 85 A 4.0334 7.8240 119.3336 55.0200 18.4535 179.5881 86 I 3.8086 7.9514 118.4303 64.7344 37.1070 178.8347 87 R 4.2951 8.1208 116.2392 57.7101 30.1053 177.3172 88 N 4.5416 7.8763 113.5314 53.8292 39.2630 174.8016 89 D 4.7638 7.6381 119.3856 52.2849 42.6872 175.8950 90 E 3.9163 8.7661 127.7060 59.7038 29.7192 178.6890 91 E 3.9989 8.1195 117.8748 59.4321 29.8437 179.1746 92 L 4.0527 9.3568 120.1586 57.5690 41.6401 179.0629 93 N 4.3601 8.3661 117.4253 56.2386 38.8984 177.0098 94 K 4.0371 7.9112 121.1268 59.3496 32.1418 178.4880 95 L 4.0421 7.7393 119.4786 57.2309 42.0718 177.5094 96 L 4.7645 7.6155 117.4841 54.2255 42.1602 178.5865 97 S 4.0897 7.9427 116.5858 60.8846 62.8191 175.1904 98 G 3.9353 8.0081 107.6331 45.0918 0.0000 173.0782 99 V 4.2977 7.6213 119.7381 61.1705 33.0754 175.0490 100 T 4.4670 8.3123 122.3198 61.8032 70.6581 174.0108 101 I 4.1304 8.1334 127.0850 59.2151 37.1503 174.8089 102 A 4.1096 8.5151 127.9873 54.1084 18.4224 176.8378 103 Q 3.5879 8.7980 119.2307 56.8824 26.4145 175.0805 104 G 3.6542 8.2923 109.3214 45.7460 0.0000 176.3319 105 G 3.8351 7.9834 107.4952 44.9239 0.0000 172.1726 106 V 4.5496 7.9047 111.4416 59.0186 35.6323 174.9434 107 L 4.2166 8.2471 121.0371 53.6994 42.0520 175.7755 108 P 4.2641 0.0000 0.0000 62.8726 31.7629 175.6283 109 N 4.4308 8.2243 117.7954 53.0319 41.4262 173.3500 110 I 4.5080 8.2461 126.4874 59.0116 40.0517 175.4684 111 Q 3.9810 8.7340 124.1790 55.9814 29.3449 177.0479 112 A 3.9924 9.0267 126.3680 55.4117 18.4207 179.8302 113 V 3.7507 7.7243 113.2614 64.1485 31.5067 177.0355 114 L 4.2491 7.8668 119.6788 55.9199 41.9526 177.2631 115 L 4.2506 7.5363 118.5637 53.2391 42.2066 174.7974 116 P 4.0256 0.0000 0.0000 64.0543 31.8060 174.9807 117 K 3.6756 9.2228 126.7239 57.3065 30.9572 177.7294 *118 K 3.8608 8.5531 131.7953 54.5785 29.3593 177.4891 *119 T 3.6635 9.2597 110.2911 61.9106 68.2728 172.9705 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 11 G 8.35 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 8.72 3.59 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 13 A 9.49 3.97 1.26 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 14 K 8.45 4.49 0.00 1.71 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.32 7.81 15 S 8.63 4.24 0.00 4.05 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 16 R 8.72 3.90 0.00 1.90 2.08 0.00 3.17 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 17 S 7.99 4.16 0.00 3.89 4.17 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 18 N 7.87 4.44 0.00 2.87 2.88 0.00 0.00 7.09 7.70 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 19 R 8.11 3.93 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 20 A 7.99 4.20 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 21 G 7.77 3.73 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 0.00 0.00 0.00 22 L 8.23 4.98 0.00 1.61 1.76 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.89 4.33 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 24 F 8.50 4.21 0.00 2.97 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 25 P 0.00 4.52 0.00 2.26 2.19 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 26 V 8.64 3.76 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 1.05 0.00 0.00 1.04 0.00 0.00 27 G 8.04 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.89 3.88 0.00 1.90 2.10 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 29 I 8.15 3.76 1.99 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 1.50 0.85 1.00 0.00 0.00 30 H 8.31 4.17 0.00 3.42 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.08 3.96 0.00 1.96 2.12 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 32 L 8.22 4.12 0.00 1.85 1.82 0.97 0.92 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 33 L 8.01 4.31 0.00 1.94 1.78 0.86 0.54 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 34 R 7.92 3.97 0.00 2.12 2.04 0.00 3.15 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 35 K 8.25 4.31 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 36 G 7.85 3.65 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 0.00 0.00 0.00 37 N 7.33 4.05 0.00 2.58 2.72 0.00 0.00 6.84 7.32 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 38 Y 7.40 4.43 0.00 2.99 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 39 A 7.51 4.45 1.23 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 0.00 0.00 0.00 40 E 9.16 4.11 0.00 1.95 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 2.36 0.00 41 R 7.76 4.71 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 42 V 8.26 4.32 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 0.74 0.00 0.00 0.99 0.00 0.00 43 G 8.47 3.81 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 0.00 0.00 0.00 44 A 8.70 3.88 1.34 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 45 G 8.32 3.55 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 0.00 0.00 0.00 46 A 7.46 3.97 1.25 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 0.00 0.00 47 P 0.00 4.35 0.00 2.47 2.28 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.84 0.00 48 V 7.27 3.55 2.33 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 1.07 0.00 0.00 1.04 0.00 0.00 49 Y 8.38 3.89 0.00 3.20 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 50 L 8.62 4.00 0.00 1.84 1.87 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.53 4.02 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 52 A 8.23 3.83 1.26 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 53 V 7.99 3.57 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 1.10 0.00 0.00 1.10 0.00 0.00 54 M 8.16 3.90 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 55 E 7.55 2.75 0.00 1.35 1.87 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 2.25 2.29 0.00 56 Y 7.94 4.13 0.00 2.99 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 57 L 7.84 3.37 0.00 1.73 1.55 0.92 0.61 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 58 A 8.04 3.96 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 59 A 7.96 3.91 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 60 E 8.03 3.61 0.00 1.48 1.74 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 2.13 2.24 0.00 61 V 7.62 3.55 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 0.96 0.00 0.00 0.88 0.00 0.00 62 L 8.00 4.02 0.00 1.81 1.70 0.96 0.68 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 63 E 8.85 3.89 0.00 2.01 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 0.00 2.30 2.39 0.00 64 L 7.72 3.96 0.00 1.87 1.68 0.90 0.81 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 65 A 8.51 4.13 1.32 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 0.00 0.00 66 G 8.32 3.51 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 0.00 0.00 0.00 67 N 7.86 4.32 0.00 2.85 2.86 0.00 0.00 6.97 7.08 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 68 A 8.39 4.23 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 69 A 7.79 3.33 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.60 4.29 0.00 1.81 2.03 0.00 3.08 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 D 8.09 4.49 0.00 2.75 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 72 N 7.36 4.69 0.00 2.75 2.93 0.00 0.00 7.20 6.56 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 73 K 7.57 3.86 0.00 1.90 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.54 7.81 74 K 8.55 4.75 0.00 1.75 1.69 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.54 7.81 75 T 8.49 4.24 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 1.21 0.00 0.00 76 R 7.69 4.47 0.00 1.77 1.84 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 77 I 8.44 4.00 1.90 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 1.62 0.66 0.95 0.00 0.00 78 I 8.08 4.61 1.81 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 0.96 0.66 0.95 0.00 0.00 79 P 0.00 4.19 0.00 2.27 2.30 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 80 R 7.85 3.89 0.00 1.87 1.80 0.00 3.31 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 81 H 8.12 4.28 0.00 3.38 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.89 4.00 0.00 1.84 1.72 0.93 0.95 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 83 Q 8.18 3.93 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 84 L 8.03 3.97 0.00 1.89 1.72 0.95 0.94 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 85 A 7.82 4.03 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 86 I 7.95 3.81 2.05 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 1.51 0.71 0.91 0.00 0.00 87 R 8.12 4.30 0.00 1.76 1.99 0.00 3.30 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 1.84 1.70 0.00 88 N 7.88 4.54 0.00 2.90 2.86 0.00 0.00 6.81 7.47 0.00 0.00 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 D 7.64 4.76 0.00 2.79 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 90 E 8.77 3.92 0.00 2.07 1.94 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 2.38 2.42 0.00 91 E 8.12 4.00 0.00 2.17 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 2.40 0.00 92 L 9.36 4.05 0.00 1.65 1.70 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.37 4.36 0.00 3.11 2.96 0.00 0.00 6.74 6.31 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 94 K 7.91 4.04 0.00 1.83 1.91 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 95 L 7.74 4.04 0.00 1.68 1.87 0.93 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 96 L 7.62 4.76 0.00 1.83 1.61 0.91 0.58 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 97 S 7.94 4.09 0.00 4.01 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 98 G 8.01 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 99 V 7.62 4.30 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 0.82 0.00 0.00 0.94 0.00 0.00 100 T 8.31 4.47 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 1.21 0.00 0.00 101 I 8.13 4.13 1.87 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 1.35 0.86 0.91 0.00 0.00 102 A 8.52 4.11 1.25 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 0.00 0.00 103 Q 8.80 3.59 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 104 G 8.29 3.65 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 0.00 0.00 0.00 105 G 7.98 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 0.00 106 V 7.90 4.55 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 107 L 8.25 4.22 0.00 1.64 1.60 1.03 1.02 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 0.00 108 P 0.00 4.26 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 109 N 8.22 4.43 0.00 2.62 2.65 0.00 0.00 6.93 7.94 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 0.00 110 I 8.25 4.51 1.87 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 1.41 0.80 0.91 0.00 0.00 111 Q 8.73 3.98 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 112 A 9.03 3.99 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 0.00 113 V 7.72 3.75 2.08 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 0.76 0.00 0.00 1.02 0.00 0.00 114 L 7.87 4.25 0.00 1.76 1.76 0.92 1.12 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 0.00 115 L 7.54 4.25 0.00 1.78 1.60 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.03 0.00 2.03 2.03 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 117 K 9.22 3.68 0.00 1.88 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.42 7.81 *118 K 8.55 3.86 0.00 2.01 1.19 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.23 0.99 7.81 *119 T 9.26 3.66 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.