NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.4026 8.3144 120.1320 56.2315 33.6579 174.2411 22 E 4.4080 8.9831 124.7847 53.3520 31.6581 173.2916 23 Q 4.0584 9.4741 129.8602 56.6217 29.8713 174.3222 24 L 4.3014 8.9706 126.9238 56.0235 41.9918 175.9194 25 Y 4.9942 7.5073 114.9234 56.7765 42.9163 173.8554 26 T 4.8705 8.6139 111.6170 60.7732 71.6685 173.8500 27 G 3.9132 8.6998 106.8748 46.3264 0.0000 173.6472 28 L 4.3356 7.8742 119.8695 53.6205 42.7105 177.1082 29 T 4.3950 8.1711 112.7231 61.3620 70.8019 175.4190 30 E 3.9461 8.6268 120.8285 59.4960 29.4395 179.6655 31 K 3.9245 7.9459 119.0398 59.3896 32.5073 178.3039 32 E 3.9421 8.1743 119.3717 59.2484 29.5231 178.6009 33 A 4.0533 8.0777 120.7307 55.2809 18.3906 179.3565 34 N 4.2497 8.3788 115.1870 56.5406 38.6324 177.7181 35 Q 3.9318 8.1703 119.4300 59.2265 28.8152 178.8287 36 M 3.4533 7.7121 119.6256 57.9952 31.8372 178.6490 37 Q 3.8440 8.2943 119.8260 59.1648 29.3359 178.0065 38 A 3.9459 8.1900 122.1724 55.0522 18.4637 179.2939 39 L 3.8793 7.8447 118.6717 58.3253 42.1842 179.3121 40 L 4.0696 7.9435 118.8329 57.8517 41.6069 179.5001 41 L 4.0423 8.2616 119.5587 57.6897 41.3226 179.5185 42 S 4.3377 8.1003 112.7999 60.2321 63.0566 175.1307 43 N 4.7815 7.2701 117.5470 52.2030 38.7576 174.1495 44 D 4.3935 7.8304 118.5157 55.3999 38.9231 173.5414 45 V 4.1348 7.5526 118.7492 61.4855 32.6557 175.0969 46 N 4.6957 8.8137 126.4429 53.4707 39.1073 173.6008 47 V 4.8449 8.2930 125.7396 59.6761 34.2258 175.1294 48 S 4.8855 9.0113 117.4386 56.4120 66.1700 172.6198 49 K 5.2480 8.6479 122.5522 54.6541 34.8727 174.8410 50 E 4.7932 9.0875 123.7951 54.7987 33.3114 173.7414 51 M 4.9483 8.6083 121.8134 54.2692 34.1930 175.6420 52 D 4.7889 8.7913 126.1671 52.0862 41.7346 176.9952 53 K 4.0863 8.4379 117.2849 59.4552 32.0817 178.4729 54 S 4.2567 8.1592 112.8486 59.1472 63.0747 175.0198 55 G 3.9457 8.0788 108.8115 45.0405 0.0000 173.4091 56 N 4.8964 8.1436 117.3205 53.0272 40.4853 173.9479 57 M 5.1775 8.9618 120.3614 54.0377 35.4965 175.0988 58 T 5.1662 8.8485 118.5224 61.8649 71.7979 173.0074 59 L 5.2796 8.7813 126.0500 53.3823 44.3102 175.8160 60 S 5.2170 9.0013 117.6136 57.2194 67.9663 173.2433 61 V 5.1251 9.0725 113.2968 58.2471 36.5386 174.8943 62 A 4.3023 8.6736 123.5534 52.3025 19.0646 178.6200 63 A 3.9535 9.0007 122.8348 55.4353 18.2068 180.0614 64 A 4.1372 8.0290 117.2306 54.2015 18.8027 178.2028 65 D 4.7386 8.0264 116.1903 54.0465 41.4482 178.0124 66 F 3.9880 8.0115 122.7923 61.3892 39.4491 177.0996 67 V 3.5071 7.8904 117.2034 65.9975 31.4425 177.7062 68 R 3.8547 7.9748 117.7369 59.2577 29.8624 178.1642 69 A 3.9173 8.1552 120.7959 55.3272 18.4211 179.7290 70 I 3.5157 7.4839 118.3466 64.5519 36.9473 178.8837 71 T 3.8337 7.8829 116.6104 66.6815 68.1968 176.7277 72 I 3.7174 7.7694 121.5781 64.4083 37.0579 178.5812 73 L 4.1588 8.1869 119.9731 57.8504 41.4749 179.2250 74 N 4.3490 8.6409 116.8182 56.6396 38.3476 177.2991 75 N 4.5036 8.4530 116.3456 55.3103 38.6285 176.1778 76 N 4.8975 7.6594 115.9440 52.1803 39.1181 175.0243 77 G 3.7297 7.8324 108.1737 46.3683 0.0000 173.5872 78 F 4.9203 8.1027 117.8459 54.3883 40.9453 174.4126 79 P 4.8034 0.0000 0.0000 61.5356 31.9989 176.2716 80 K 4.1361 8.7045 119.9849 56.1529 32.5806 177.3594 81 K 4.0951 8.2473 122.5221 56.2204 33.6760 176.5215 82 K 4.2946 7.8451 119.4586 55.3263 33.4742 175.7788 83 F 4.8100 8.1765 118.5293 54.8277 42.6047 174.9023 84 A 4.0124 8.6100 124.5561 52.6901 18.7954 176.9715 85 D 4.7355 8.3774 120.9771 52.6620 43.2188 177.3324 86 I 3.5591 8.0762 126.5015 64.2584 37.8545 177.3399 87 E 4.0612 8.4657 118.5259 58.0437 29.0653 179.0591 88 V 3.7178 7.3327 117.5939 65.5611 32.1020 177.3707 89 I 3.7043 7.3959 118.1442 62.8702 38.1228 176.4871 90 F 5.0474 7.8018 117.6475 55.2168 38.9059 172.5445 91 P 4.9637 0.0000 0.0000 62.4985 31.7555 177.4719 *98 S 4.1394 7.8013 112.6846 57.6698 64.1821 171.9777 99 P 4.2098 0.0000 0.0000 66.0533 31.3466 179.0909 100 S 4.1223 7.8989 112.2205 61.2193 63.1684 176.1081 101 Q 3.2315 7.5931 123.3617 58.5773 28.6520 177.5806 102 E 3.8520 8.2707 120.6889 59.5507 29.6199 178.6643 103 N 4.2961 8.1858 116.1394 56.1553 38.5415 177.3291 104 A 4.0197 7.8444 121.9810 55.0027 18.3713 179.8929 105 K 4.0937 8.0141 116.8876 59.5784 32.1289 179.6855 106 I 3.7207 8.0730 120.4427 64.3574 36.9395 177.9737 107 N 4.3187 8.4607 118.1095 56.7983 38.6995 176.3309 108 Y 4.2619 8.2059 120.9602 60.5951 38.8469 177.4665 109 L 3.7262 8.2119 121.4556 58.0528 42.1194 178.9137 110 K 3.8642 8.0224 119.3509 59.5252 32.0884 178.4186 111 E 3.9132 8.2958 119.0145 59.7395 29.3184 179.5422 112 Q 3.8223 8.0159 118.0419 58.9298 28.6729 178.5102 113 D 4.2967 8.2724 120.2429 57.4003 40.7445 178.9905 114 I 3.7298 7.9060 120.3647 64.2513 37.1396 178.2193 115 E 3.9185 8.3190 119.6669 59.4113 29.0717 179.3897 116 R 3.8576 7.9549 117.7399 59.2377 30.4236 178.1035 117 L 4.0688 7.8501 119.9918 58.3432 42.2082 179.0350 118 L 4.0667 8.2270 119.1170 57.6332 41.3079 179.0882 119 S 4.3851 7.9472 113.0970 59.8237 62.9442 175.5812 120 K 4.3166 7.8306 120.5515 56.2088 32.5017 177.0002 121 I 3.8168 7.2516 122.3653 60.2316 37.3985 173.8431 122 P 4.4371 0.0000 0.0000 64.1961 31.7083 176.6191 123 G 3.9635 9.0560 111.3503 45.1337 0.0000 173.0966 124 V 4.2056 7.5455 120.3437 62.4840 31.8349 175.3521 125 I 4.5193 8.4536 120.0311 60.9979 39.2956 174.8443 126 D 4.7255 7.8220 120.8838 53.7670 44.5951 173.2972 127 C 5.1861 8.3593 122.3971 58.3548 34.8419 173.0912 128 S 4.9637 9.3068 121.5688 56.7028 66.4919 173.0612 129 V 4.7894 8.9120 123.6243 61.0647 34.0402 174.4354 130 S 4.8829 9.1187 122.7399 56.5857 64.6895 172.3839 131 L 4.8727 9.1187 127.7262 53.1816 43.7256 176.1052 132 N 4.7690 9.0915 122.1059 51.9078 40.6355 173.1943 133 V 4.5850 8.4283 125.3361 59.1972 32.6005 173.3167 *140 P 4.1107 0.0000 0.0000 62.2885 31.8522 176.6814 141 S 4.7419 8.2453 119.3648 58.7890 64.3562 173.2124 142 S 4.8738 9.0004 114.8337 57.4763 66.9813 172.6592 143 A 5.0969 9.0343 120.7223 50.5168 22.8826 174.8760 144 A 5.0307 9.0694 123.5572 50.0951 21.9217 175.8047 145 V 4.6636 8.8859 122.1734 61.0245 34.8798 173.7706 146 L 5.0903 8.9974 130.7092 53.2287 44.5879 174.9741 147 V 4.7739 8.7972 126.1645 61.1600 34.5804 173.8943 148 I 5.0230 8.7665 129.1810 59.7731 39.2886 175.1508 149 S 5.2811 8.9261 121.8330 56.2120 66.3439 173.7178 150 S 4.5198 8.6497 116.9079 58.5560 63.1531 174.4481 151 P 4.7590 0.0000 0.0000 64.8832 31.2689 177.1756 152 E 4.3905 8.0767 115.1913 56.1146 29.7717 175.8798 153 V 4.3165 7.5372 118.7234 60.7598 33.9816 174.2524 154 N 4.7946 8.6272 124.6973 52.1046 39.6653 174.0275 155 L 4.3569 8.3616 124.9168 54.8856 42.6774 178.4646 156 A 3.9797 8.5488 122.8272 55.0245 18.0118 178.1891 157 P 4.3208 0.0000 0.0000 64.9868 31.6655 177.9329 158 S 4.5117 8.0597 112.9508 58.7531 62.9814 176.1181 159 V 3.5841 7.6750 122.7025 66.1243 31.2821 177.8316 160 I 3.6900 7.7308 119.0056 64.4245 36.8602 178.3309 161 Q 3.9643 7.9762 118.3504 58.9712 28.6755 178.4589 162 I 3.6773 8.0647 121.1965 64.5003 37.1016 178.6465 163 K 3.9884 8.2691 119.2945 59.5565 31.8731 179.2447 164 N 4.3594 8.2260 116.8084 56.1286 38.2077 177.4633 165 L 3.9539 7.9365 119.7821 57.7920 42.1621 179.4698 166 V 3.6972 7.8909 118.1046 65.7300 31.3829 177.6885 167 K 3.8476 8.3083 119.8005 59.7067 31.8470 177.6515 168 N 4.7937 7.7847 112.5771 54.0014 38.8234 176.6711 169 S 4.3969 7.7283 116.5722 58.8003 63.5794 174.2856 170 V 4.3857 6.8168 119.1308 60.2262 34.2005 174.4836 171 D 4.1895 8.7998 126.0937 55.7586 42.0570 175.6196 172 D 4.3125 8.7701 125.8830 55.6734 39.3108 172.6381 173 L 4.9359 7.6848 119.1421 53.1712 45.0034 175.1606 174 K 4.6281 8.2574 124.6188 54.3940 34.6828 177.1159 175 L 3.9972 8.6397 121.9399 58.1002 41.6279 179.7249 176 E 4.0954 8.1805 114.3244 58.5135 29.8295 176.8658 177 N 5.0105 8.1871 117.1424 52.9555 40.0869 173.8349 178 I 4.8855 7.6437 119.7613 59.6134 39.6256 174.9684 179 S 4.6672 8.9324 122.6903 56.6704 64.0802 172.6832 180 V 4.8128 8.4160 126.9805 61.0667 33.5378 174.5275 181 V 4.5771 8.8792 128.1470 60.8880 34.2967 173.9445 182 I 5.0478 8.4264 120.7395 59.1173 39.8736 174.9466 183 K 4.7078 8.8426 124.2362 54.3677 36.6323 175.7250 184 S 4.7734 8.6371 118.6800 58.0431 63.1011 175.3015 185 S 4.2249 8.7383 121.3854 61.0889 62.8514 175.6019 186 S 4.1711 7.8749 113.9938 58.7822 63.3825 172.7135 187 G 3.9442 7.6531 107.3345 43.4348 0.0000 174.6312 188 Q 4.0095 8.5250 118.0190 58.7785 28.6213 177.5073 189 D 4.5742 7.8647 115.0102 53.8830 41.3449 176.5323 190 G 4.0416 7.9537 114.4150 45.8256 0.0000 173.8842 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 21 K 8.31 4.40 0.00 1.76 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 22 E 8.98 4.41 0.00 2.04 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 1.47 1.91 0.00 23 Q 9.47 4.06 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 24 L 8.97 4.30 0.00 1.69 1.50 0.92 0.67 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 25 Y 7.51 4.99 0.00 2.98 2.81 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 26 T 8.61 4.87 4.27 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 0.00 0.00 0.00 1.27 0.00 0.00 27 G 8.70 3.91 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 0.00 0.00 0.00 28 L 7.87 4.34 0.00 1.84 1.59 0.98 0.48 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 29 T 8.17 4.40 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 1.22 0.00 0.00 30 E 8.63 3.95 0.00 2.04 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 2.40 2.38 0.00 31 K 7.95 3.92 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.52 7.81 32 E 8.17 3.94 0.00 2.13 1.93 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 2.29 2.39 0.00 33 A 8.08 4.05 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 N 8.38 4.25 0.00 2.90 2.86 0.00 0.00 7.08 8.60 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 35 Q 8.17 3.93 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 36 M 7.71 3.45 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.55 0.00 37 Q 8.29 3.84 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 A 8.19 3.95 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 39 L 7.84 3.88 0.00 1.79 1.78 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.94 4.07 0.00 1.82 1.67 0.88 0.48 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 41 L 8.26 4.04 0.00 1.65 1.71 0.91 0.81 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 42 S 8.10 4.34 0.00 4.04 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 43 N 7.27 4.78 0.00 2.88 2.85 0.00 0.00 6.99 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 44 D 7.83 4.39 0.00 2.84 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 45 V 7.55 4.13 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 0.70 0.00 0.00 0.92 0.00 0.00 46 N 8.81 4.70 0.00 2.94 2.87 0.00 0.00 6.37 7.59 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 47 V 8.29 4.84 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 48 S 9.01 4.89 0.00 3.87 3.96 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 49 K 8.65 5.25 0.00 1.73 1.67 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.53 7.81 50 E 9.09 4.79 0.00 2.03 1.97 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 2.18 2.23 0.00 51 M 8.61 4.95 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 52 D 8.79 4.79 0.00 2.89 2.83 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 53 K 8.44 4.09 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.41 7.81 54 S 8.16 4.26 0.00 3.97 3.91 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 55 G 8.08 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 56 N 8.14 4.90 0.00 3.01 2.74 0.00 0.00 6.81 7.69 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 57 M 8.96 5.18 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 58 T 8.85 5.17 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 1.30 0.00 0.00 59 L 8.78 5.28 0.00 1.66 1.58 0.91 0.55 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 60 S 9.00 5.22 0.00 3.72 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 61 V 9.07 5.13 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 0.90 0.00 0.00 1.05 0.00 0.00 62 A 8.67 4.30 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 63 A 9.00 3.95 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 64 A 8.03 4.14 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 65 D 8.03 4.74 0.00 2.87 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 66 F 8.01 3.99 0.00 3.18 3.14 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 67 V 7.89 3.51 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 0.99 0.00 0.00 1.06 0.00 0.00 68 R 7.97 3.85 0.00 1.91 2.03 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 69 A 8.16 3.92 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 70 I 7.48 3.52 1.55 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.09 0.91 0.00 0.00 71 T 7.88 3.83 4.37 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 1.21 0.00 0.00 72 I 7.77 3.72 1.99 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 1.52 0.78 0.93 0.00 0.00 73 L 8.19 4.16 0.00 1.75 2.02 1.03 0.90 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 74 N 8.64 4.35 0.00 2.91 2.89 0.00 0.00 7.07 6.85 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 75 N 8.45 4.50 0.00 2.74 2.90 0.00 0.00 7.01 8.02 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 76 N 7.66 4.90 0.00 2.98 3.03 0.00 0.00 7.02 7.51 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 77 G 7.83 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 78 F 8.10 4.92 0.00 3.13 2.83 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 79 P 0.00 4.80 0.00 1.97 1.60 0.00 3.26 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 1.75 1.13 0.00 80 K 8.70 4.14 0.00 1.74 1.74 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.15 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.31 7.81 81 K 8.25 4.10 0.00 1.54 1.62 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.51 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.60 7.81 82 K 7.85 4.29 0.00 1.61 1.68 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.33 7.81 83 F 8.18 4.81 0.00 2.98 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 84 A 8.61 4.01 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 85 D 8.38 4.74 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.56 1.49 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 0.00 0.00 87 E 8.47 4.06 0.00 2.13 1.97 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 2.27 2.47 0.00 88 V 7.33 3.72 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 0.83 0.00 0.00 0.90 0.00 0.00 89 I 7.40 3.70 1.34 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 -0.07 0.00 0.00 90 F 7.80 5.05 0.00 3.09 2.80 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 91 P 0.00 4.96 0.00 2.19 2.23 0.00 3.48 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 *98 S 7.80 4.14 0.00 3.89 3.72 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 99 P 0.00 4.21 0.00 2.16 2.07 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 100 S 7.90 4.12 0.00 3.99 4.07 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 0.00 0.00 0.00 101 Q 7.59 3.23 0.00 1.58 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.02 1.27 0.00 102 E 8.27 3.85 0.00 2.11 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 0.00 2.28 2.38 0.00 103 N 8.19 4.30 0.00 2.92 2.83 0.00 0.00 6.97 6.90 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 0.00 104 A 7.84 4.02 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 0.00 105 K 8.01 4.09 0.00 2.01 1.92 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.58 7.81 106 I 8.07 3.72 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 1.60 0.83 0.92 0.00 0.00 107 N 8.46 4.32 0.00 2.98 3.04 0.00 0.00 6.88 7.95 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 0.00 108 Y 8.21 4.26 0.00 3.18 3.21 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 0.00 109 L 8.21 3.73 0.00 1.90 1.84 0.93 0.74 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 0.00 110 K 8.02 3.86 0.00 1.91 1.94 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 111 E 8.30 3.91 0.00 2.13 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 2.39 2.51 0.00 112 Q 8.02 3.82 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 113 D 8.27 4.30 0.00 2.80 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 0.00 114 I 7.91 3.73 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 1.50 0.83 0.89 0.00 0.00 115 E 8.32 3.92 0.00 2.10 1.97 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 2.30 2.46 0.00 116 R 7.95 3.86 0.00 1.82 2.09 0.00 3.24 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 1.62 1.62 0.00 117 L 7.85 4.07 0.00 1.84 1.79 0.91 0.71 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 0.00 118 L 8.23 4.07 0.00 1.69 1.69 0.90 0.93 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 0.00 119 S 7.95 4.39 0.00 3.99 3.90 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 0.00 0.00 0.00 120 K 7.83 4.32 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.65 7.81 121 I 7.25 3.82 1.96 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 1.29 0.73 0.91 0.00 0.00 122 P 0.00 4.44 0.00 2.03 2.00 0.00 3.63 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 2.02 2.09 0.00 123 G 9.06 3.96 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 0.00 0.00 0.00 124 V 7.55 4.21 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 0.84 0.00 0.00 0.99 0.00 0.00 125 I 8.45 4.52 1.88 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 1.28 0.85 0.91 0.00 0.00 126 D 7.82 4.73 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.36 5.19 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 0.00 128 S 9.31 4.96 0.00 3.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.91 4.79 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 0.72 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9.07 5.03 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 0.00 145 V 8.89 4.66 2.16 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 1.01 0.00 0.00 0.92 0.00 0.00 146 L 9.00 5.09 0.00 1.74 1.45 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.80 4.77 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 0.92 0.00 0.00 0.92 0.00 0.00 148 I 8.77 5.02 1.86 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 1.27 0.87 0.91 0.00 0.00 149 S 8.93 5.28 0.00 3.93 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 0.00 150 S 8.65 4.52 0.00 3.80 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 0.00 151 P 0.00 4.76 0.00 2.04 2.12 0.00 3.72 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 152 E 8.08 4.39 0.00 1.95 1.98 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.38 0.91 0.00 0.00 161 Q 7.98 3.96 0.00 2.26 2.14 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 2.44 2.44 0.00 162 I 8.06 3.68 2.00 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 1.51 0.80 0.90 0.00 0.00 163 K 8.27 3.99 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 164 N 8.23 4.36 0.00 2.88 2.86 0.00 0.00 7.03 6.89 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 0.00 165 L 7.94 3.95 0.00 1.74 1.72 0.91 1.20 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 0.00 166 V 7.89 3.70 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 0.98 0.00 0.00 0.99 0.00 0.00 167 K 8.31 3.85 0.00 1.94 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.64 7.81 168 N 7.78 4.79 0.00 2.85 2.83 0.00 0.00 7.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.73 4.40 0.00 4.01 3.90 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 0.00 0.00 0.00 170 V 6.82 4.39 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 0.76 0.00 0.00 0.97 0.00 0.00 171 D 8.80 4.19 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.77 4.31 0.00 2.90 2.63 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 0.00 173 L 7.68 4.94 0.00 1.57 1.49 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.26 4.63 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.99 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 175 L 8.64 4.00 0.00 1.74 1.73 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.18 4.10 0.00 2.07 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 0.00 2.27 2.33 0.00 177 N 8.19 5.01 0.00 2.69 2.82 0.00 0.00 6.61 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 0.00 178 I 7.64 4.89 1.86 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 1.11 0.76 0.90 0.00 0.00 179 S 8.93 4.67 0.00 3.88 3.71 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 0.00 180 V 8.42 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 0.83 0.00 0.00 0.92 0.00 0.00 181 V 8.88 4.58 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 1.02 0.00 0.00 0.92 0.00 0.00 182 I 8.43 5.05 1.86 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 1.34 0.84 0.90 0.00 0.00 183 K 8.84 4.71 0.00 1.64 1.66 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.49 7.81 184 S 8.64 4.77 0.00 3.91 3.72 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 0.00 185 S 8.74 4.22 0.00 4.04 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 0.00 186 S 7.87 4.17 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 0.00 187 G 7.65 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 0.00 188 Q 8.52 4.01 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 189 D 7.86 4.57 0.00 2.66 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 0.00 190 G 7.95 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.