NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4339 8.3049 118.1931 55.1009 32.5564 174.3085 2 L 4.5350 8.3627 119.9378 51.3009 44.1132 174.1280 3 D 5.0404 8.9368 122.1352 50.8282 43.2197 176.2192 4 A 3.7612 8.3877 119.9839 55.4864 17.8639 180.0003 5 F 3.9374 8.1287 115.7590 60.6495 39.1617 178.1324 6 S 4.2327 8.9393 114.2107 60.9282 62.7725 176.3616 7 K 3.8442 8.2719 123.5382 59.4788 31.9554 178.6057 8 A 3.9809 7.6699 120.9205 55.0002 18.1315 179.8099 9 V 3.5226 7.7416 116.9598 66.0349 31.6159 178.3622 10 V 3.5523 8.0441 118.2771 66.1897 30.8867 178.1274 11 S 4.2607 8.0420 114.5447 61.6638 62.6071 176.6212 12 A 3.8523 8.1203 123.4107 55.1618 18.1200 179.1780 13 D 4.2006 8.4065 116.8552 57.5537 41.0797 178.4224 14 Q 4.0960 8.0237 117.5590 57.9606 28.7057 177.9801 15 K 4.4094 7.1880 116.6080 54.9777 33.1019 175.9474 16 T 3.4452 7.8281 115.1047 64.8488 66.6489 172.1385 17 G 4.3083 8.0297 107.7245 43.8078 0.0000 173.1610 18 Y 4.2808 8.5902 118.6024 57.0591 38.9906 175.3473 19 I 4.4355 7.7579 123.4330 59.6369 38.1665 175.4874 20 G 4.1255 8.8947 113.6471 45.0364 0.0000 173.7235 21 G 3.4939 7.4260 103.6040 47.2000 0.0000 176.2682 22 A 3.9724 8.2244 121.9927 54.6700 18.2064 179.6742 23 E 4.0814 8.2750 114.3204 58.4585 30.1647 178.9733 24 L 4.1739 7.8199 119.8553 57.3032 42.0157 178.6976 25 A 3.9954 7.6263 120.5047 55.0938 18.3472 179.3200 26 A 3.9946 8.0072 118.8265 55.3873 18.4400 179.7435 27 L 3.8100 7.4314 114.2366 57.7321 41.6538 179.6986 28 K 4.1155 8.3081 118.5381 59.8487 31.9342 179.5267 29 T 3.9160 7.8948 115.6706 66.6081 67.8908 175.9726 30 Y 3.9735 8.0507 121.5308 60.9358 38.7785 178.4787 31 I 3.9375 8.1896 120.3510 64.4638 37.0312 178.3380 32 A 4.1025 8.1487 120.5770 54.6441 18.5040 178.3602 33 N 4.7880 8.0088 113.7074 53.3459 38.7201 177.3148 34 G 3.5500 7.9876 110.3475 47.9994 0.0000 175.9709 35 N 4.3793 8.1100 118.5806 55.9209 38.5000 177.4532 36 K 3.9553 7.9651 119.3832 59.4270 32.1721 179.0631 37 R 3.8623 7.8357 118.7164 59.4328 29.9756 178.4546 38 L 3.9976 7.9807 118.6506 58.0354 41.6542 179.2921 39 D 4.3712 8.2970 118.5079 57.2185 40.2084 178.6901 40 A 4.0339 8.3574 121.6512 55.0887 18.3900 179.8248 41 V 3.5700 7.9848 116.7850 66.3177 31.6362 177.6403 42 N 4.3316 8.5434 117.7982 56.0699 38.4286 176.5692 43 A 3.9621 7.9492 121.3876 54.9465 18.7254 179.4797 44 I 3.9064 7.5418 117.7368 64.6866 36.8841 178.6855 45 T 3.8673 7.9904 110.6705 64.9673 68.3354 176.5289 46 S 4.2841 8.1276 116.5915 60.0711 62.9289 174.6589 47 N 4.7582 7.5325 118.1593 52.3755 39.5702 176.1470 48 A 3.9645 7.9797 123.0094 55.4362 18.3665 180.5817 49 S 4.0106 7.9496 111.0621 61.5994 62.5535 175.7148 50 C 4.1431 7.9997 120.8738 62.4891 31.5211 175.3143 51 I 3.7859 7.9428 121.4444 64.4593 36.7386 178.6579 52 V 3.6311 7.8018 119.0909 66.0909 31.4633 178.2453 53 S 4.1404 8.1396 114.1069 61.5270 62.7919 175.8706 54 D 4.3124 8.2712 121.5223 56.8518 40.8470 178.1903 55 A 3.9628 7.9501 120.9375 55.0935 18.4781 179.8275 56 V 3.5294 7.9323 116.8156 66.3386 31.5684 178.3740 57 S 4.2668 8.3124 115.0810 61.5364 62.6070 177.0732 58 G 3.5321 8.3465 108.5523 47.8784 0.0000 175.2484 59 M 4.0031 8.0539 120.0139 58.6545 32.5638 178.1940 60 I 3.9193 7.8490 119.9378 64.4610 37.1467 178.2386 61 C 4.2482 8.1715 114.2128 60.9683 29.5408 175.1570 62 E 4.3547 8.0187 119.7079 57.1311 30.7055 176.6992 63 N 4.9740 7.8229 117.2251 50.9838 39.6671 172.6301 64 P 4.4407 0.0000 0.0000 64.3827 32.0718 178.9639 65 G 3.7365 8.2815 107.1993 48.2453 0.0000 175.5735 66 L 3.9914 8.1483 120.3309 56.8665 41.6874 178.4038 67 I 4.5049 7.4554 109.2480 60.3734 38.1260 175.5527 68 S 4.2351 7.6351 116.4623 57.1573 62.9948 172.8409 69 A 2.8786 8.0792 125.2731 53.6082 17.9997 178.1755 70 G 3.9847 8.3941 109.9273 45.8700 0.0000 175.0422 71 G 4.4020 7.5720 116.4896 44.8175 0.0000 175.7087 *73 C 4.3806 8.6553 123.4346 58.9337 29.5654 172.7883 74 Y 4.2242 7.7285 121.8251 58.4235 39.1949 174.8113 75 T 3.2976 7.5579 115.4533 62.0217 69.1707 172.4640 76 N 4.2670 8.4736 120.4197 56.4291 38.4897 177.6273 77 R 3.8495 7.8219 119.6367 59.5439 30.2023 178.7244 78 R 3.9019 7.6626 117.8743 59.3354 30.1028 178.5372 79 M 3.9613 7.9999 117.8416 58.7312 32.2113 178.1443 80 A 3.9901 8.4075 120.9522 55.0591 18.4568 179.4537 81 A 3.9690 7.9906 119.3167 55.3736 18.3598 179.4999 82 C 4.0517 8.3127 117.2856 62.6282 31.6860 175.5838 83 L 3.9824 8.0097 120.6272 57.8773 41.1207 179.5989 84 R 3.8797 8.0880 118.4001 59.6212 30.0973 178.2978 85 D 4.5194 8.4844 119.0144 57.2803 40.7982 178.8834 86 G 3.7683 8.4754 106.6021 48.0088 0.0000 175.3331 87 E 3.9813 8.2662 121.8629 58.8035 29.6293 178.8540 88 I 3.6629 8.0056 120.0876 64.4259 37.1930 178.5219 89 V 3.6341 7.9281 118.9322 65.9369 31.3313 177.7434 90 L 3.9028 7.9268 120.0675 58.0253 41.9400 178.7608 91 R 3.5050 8.1255 118.9587 59.7469 29.9920 178.1725 92 Y 3.6458 7.6051 116.2196 60.7164 37.7581 178.7908 93 V 3.4079 7.8553 119.7546 66.0370 31.5079 178.2307 94 T 3.9275 7.9409 109.7000 64.8315 68.5022 176.0281 95 Y 4.2853 7.9483 119.3886 61.0391 37.9490 178.6105 96 A 4.0622 7.9052 122.7682 54.5156 18.1098 179.4882 97 L 4.2136 7.7674 117.8337 58.1646 42.2487 178.6205 98 L 4.1513 8.0770 119.5705 58.0707 42.3880 178.4924 99 A 4.3110 8.5277 120.6127 52.6575 18.1009 178.7465 100 G 4.0198 8.8231 103.9713 45.6989 0.0000 172.8469 101 D 4.7062 7.5619 116.6246 51.6446 44.1363 175.7077 102 A 3.9942 8.6837 126.2511 53.3676 18.6742 179.8839 103 S 4.0510 8.5153 114.1748 61.3320 62.9511 177.0308 104 V 3.6542 7.7229 122.3132 64.3563 31.0743 177.9727 105 L 3.8321 7.7764 120.4816 57.8249 41.9928 178.6466 106 E 3.8703 8.2439 118.5569 59.5972 29.2220 179.2234 107 D 4.2644 8.2664 117.8648 56.8789 41.0744 177.6966 108 R 4.2951 7.6480 115.4254 56.3533 31.2148 175.7680 109 C 4.2294 7.4218 114.6593 60.7038 33.4574 174.9403 110 L 3.9743 7.9140 119.3926 57.0048 41.5339 176.9638 111 N 4.3147 7.9595 118.0666 55.0981 39.0139 175.0262 112 G 4.0675 8.8977 114.3686 45.3885 0.0000 174.7092 113 L 3.6532 7.7801 121.7221 57.7650 41.9117 178.5136 114 K 3.8810 7.8861 119.1007 59.7230 32.0323 178.3513 115 E 3.9667 8.1057 118.1845 59.6177 29.4183 179.3299 116 T 3.8939 7.9942 115.6930 67.0481 68.6003 176.3300 117 Y 4.4843 8.3032 118.9333 61.4357 37.6698 178.7142 118 M 4.1181 8.5687 119.7568 58.3447 31.8586 178.6367 119 A 4.1222 7.9610 119.8906 55.1320 18.6400 179.3079 120 L 4.2351 8.0543 116.3355 55.5944 41.8035 178.2864 121 G 3.8264 7.5625 104.8117 45.5710 0.0000 173.2985 122 V 3.5238 7.5735 120.1469 61.1761 31.8155 174.5498 123 P 4.3733 0.0000 0.0000 62.6583 31.9894 177.1053 124 I 3.7662 8.3394 124.7445 63.8324 37.2283 176.4108 125 P 4.2883 0.0000 0.0000 65.7564 31.0915 178.8626 126 S 4.0884 8.0131 113.2038 61.4311 62.8474 176.1941 127 A 4.0309 7.9447 123.4934 55.4523 18.1408 179.7509 128 I 3.7194 8.2139 118.5967 64.4476 37.1376 178.7110 129 R 3.8744 8.0277 119.4187 59.2271 29.9611 178.2455 130 A 4.0051 8.1519 120.6934 55.3311 18.3651 179.6915 131 V 3.6943 8.0175 116.6027 66.4521 31.6658 178.3947 132 S 4.0926 8.2474 114.7849 61.6188 62.6181 176.8580 133 I 3.6777 7.8960 122.5085 64.6066 36.8733 178.3085 134 M 4.0018 8.0549 119.5448 58.0492 31.6468 178.7298 135 K 2.4800 7.4936 119.4132 58.8487 32.3466 178.4013 136 A 3.8485 7.5111 120.7998 55.4278 18.2391 179.1300 137 S 3.8250 7.9963 110.9991 61.7716 62.4261 176.3034 138 A 4.2282 8.4515 123.4382 55.2923 18.1566 179.8002 139 V 3.5825 8.0537 116.7280 65.9874 31.6032 178.0896 140 A 4.0211 7.8459 121.9232 54.6466 18.1696 179.6824 141 F 4.3714 8.0631 116.2856 60.6879 38.7441 177.9485 142 I 3.8066 7.8497 118.5547 64.4575 37.1058 177.5638 143 N 4.5800 8.2786 113.8491 52.5503 38.9021 174.3876 144 N 4.2237 7.8381 117.8686 55.2682 37.9691 174.2786 145 T 4.4261 8.2705 103.7428 60.7382 69.4593 173.6446 146 A 3.8472 7.6872 125.4523 52.2502 18.8384 178.4598 147 S 4.2227 8.6006 117.2577 60.5087 63.2910 175.2582 148 K 4.4874 7.8468 116.7106 55.8408 33.2176 175.9308 149 R 4.5977 7.7659 118.8904 55.0056 32.9017 173.9804 150 K 4.8713 8.5918 124.0786 54.7617 34.7455 175.5350 151 I 4.5406 8.9683 121.2067 59.6413 40.0910 175.2163 152 E 4.3915 8.8596 125.6163 55.5355 29.9130 175.7622 153 T 4.7679 8.0599 112.8345 58.6902 72.2193 171.8473 154 P 4.4048 0.0000 0.0000 62.2043 31.9263 176.6629 155 Q 4.1380 8.6853 120.0515 55.2512 29.4338 176.8070 156 G 3.8672 7.3026 106.7194 46.0334 0.0000 169.9398 157 D 4.8952 8.4838 119.2067 52.8543 43.3477 176.4222 158 C 4.8398 8.4633 123.7837 59.3184 29.4408 176.0608 159 A 3.9542 8.1856 124.6627 55.2207 17.7811 180.2391 160 A 3.9113 7.9194 118.7631 55.3265 18.4688 179.6835 161 L 3.9162 7.9012 116.7887 57.8663 41.6904 179.4492 162 A 4.0238 8.2675 120.8761 55.2959 18.3380 179.9081 163 S 4.0316 8.3137 113.8561 61.5244 62.6632 176.4773 164 E 3.6349 8.4550 122.0999 59.0831 29.4770 178.5625 165 A 4.2460 8.2288 121.0659 55.3399 18.4056 179.5939 166 G 3.8671 8.3574 104.5165 48.2856 0.0000 175.8936 167 S 4.1192 8.0843 116.4974 61.3820 62.9102 176.3046 168 Y 4.3672 7.3620 120.1781 60.9228 37.5903 178.2437 169 F 4.2484 8.2182 118.3286 60.7480 38.9403 177.4508 170 D 4.4864 8.6674 118.8076 57.6383 40.5672 178.7913 171 M 4.0778 8.4574 119.1806 58.0793 31.7054 178.3928 172 A 3.9895 7.8244 119.8464 55.2651 18.9455 179.2177 173 A 4.1483 8.0257 118.9712 55.6240 17.9812 180.0584 174 S 4.1156 8.4458 113.6512 61.6658 62.6631 176.7262 175 A 4.1156 8.0900 122.2306 54.2191 18.1669 178.7321 176 L 4.3523 7.5191 115.9144 55.8916 42.2830 176.9244 177 R 4.1468 7.5450 121.4190 56.3889 30.0555 176.1736 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 8.30 4.43 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.36 4.53 0.00 1.78 1.60 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.94 5.04 0.00 3.11 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 4 A 8.39 3.76 0.59 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 0.00 0.00 5 F 8.13 3.94 0.00 3.17 3.09 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 0.00 0.00 0.00 6 S 8.94 4.23 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 7 K 8.27 3.84 0.00 1.98 1.96 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.48 7.81 8 A 7.67 3.98 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.74 3.52 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 1.06 0.00 0.00 0.99 0.00 0.00 10 V 8.04 3.55 2.20 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 0.96 0.00 0.00 0.96 0.00 0.00 11 S 8.04 4.26 0.00 4.03 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 12 A 8.12 3.85 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 13 D 8.41 4.20 0.00 2.81 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 14 Q 8.02 4.10 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 15 K 7.19 4.41 0.00 1.67 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 16 T 7.83 3.45 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 17 G 8.03 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 18 Y 8.59 4.28 0.00 2.91 2.92 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 0.00 0.00 0.00 19 I 7.76 4.44 1.92 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 1.04 0.95 0.00 0.00 20 G 8.89 4.13 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 0.00 0.00 0.00 21 G 7.43 3.49 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 0.00 22 A 8.22 3.97 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 23 E 8.28 4.08 0.00 2.13 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 0.00 2.33 2.30 0.00 24 L 7.82 4.17 0.00 1.89 1.80 0.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.63 4.00 1.43 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 26 A 8.01 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 27 L 7.43 3.81 0.00 1.96 1.72 0.93 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.31 4.12 0.00 2.03 1.92 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.71 7.81 29 T 7.89 3.92 4.48 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 1.23 0.00 0.00 30 Y 8.05 3.97 0.00 3.04 3.08 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 31 I 8.19 3.94 2.21 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 1.00 0.00 0.00 32 A 8.15 4.10 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 33 N 8.01 4.79 0.00 2.75 2.73 0.00 0.00 6.77 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 34 G 7.99 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 35 N 8.11 4.38 0.00 2.74 2.88 0.00 0.00 7.11 7.53 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 36 K 7.97 3.96 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.48 7.81 37 R 7.84 3.86 0.00 1.78 2.03 0.00 3.03 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 38 L 7.98 4.00 0.00 2.01 1.71 0.94 0.86 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 39 D 8.30 4.37 0.00 2.88 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 40 A 8.36 4.03 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 41 V 7.98 3.57 2.24 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 1.02 0.00 0.00 1.02 0.00 0.00 42 N 8.54 4.33 0.00 2.97 2.97 0.00 0.00 6.63 7.04 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 43 A 7.95 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.91 1.92 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 1.73 0.91 0.99 0.00 0.00 45 T 7.99 3.87 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 1.26 0.00 0.00 46 S 8.13 4.28 0.00 3.84 3.87 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0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 4.38 0.00 3.17 3.03 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 74 Y 7.73 4.22 0.00 3.08 3.08 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 75 T 7.56 3.30 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 0.75 0.00 0.00 76 N 8.47 4.27 0.00 2.69 2.88 0.00 0.00 6.69 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 77 R 7.82 3.85 0.00 1.84 1.88 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 78 R 7.66 3.90 0.00 1.98 1.95 0.00 3.35 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 79 M 8.00 3.96 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 80 A 8.41 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 89 V 7.93 3.63 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 1.11 0.00 0.00 1.00 0.00 0.00 90 L 7.93 3.90 0.00 2.01 1.79 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.13 3.51 0.00 1.74 1.63 0.00 3.01 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 92 Y 7.61 3.65 0.00 2.93 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 93 V 7.86 3.41 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 0.53 0.00 0.00 0.45 0.00 0.00 94 T 7.94 3.93 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 95 Y 7.95 4.29 0.00 3.11 2.92 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 0.00 0.00 0.00 96 A 7.91 4.06 0.53 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 0.00 0.00 97 L 7.77 4.21 0.00 1.94 1.95 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0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.24 3.87 0.00 1.97 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 2.45 2.49 0.00 107 D 8.27 4.26 0.00 2.62 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 0.00 108 R 7.65 4.30 0.00 1.76 1.89 0.00 3.32 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 109 C 7.42 4.23 0.00 1.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.97 0.00 1.67 1.63 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.96 4.31 0.00 2.74 2.67 0.00 0.00 7.35 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 0.00 112 G 8.90 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 0.00 0.00 0.00 113 L 7.78 3.65 0.00 1.75 1.55 0.16 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 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7.57 3.52 1.54 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 -0.09 0.00 0.00 0.70 0.00 0.00 123 P 0.00 4.37 0.00 2.27 2.16 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 124 I 8.34 3.77 1.92 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 1.83 0.93 1.03 0.00 0.00 125 P 0.00 4.29 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 126 S 8.01 4.09 0.00 3.99 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 0.00 127 A 7.94 4.03 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.21 3.72 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.95 0.00 0.00 129 R 8.03 3.87 0.00 1.95 2.10 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 130 A 8.15 4.01 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 0.00 131 V 8.02 3.69 2.32 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 1.26 0.00 0.00 1.11 0.00 0.00 132 S 8.25 4.09 0.00 4.06 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 0.00 133 I 7.90 3.68 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 1.50 0.86 0.89 0.00 0.00 134 M 8.05 4.00 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.78 0.00 135 K 7.49 2.48 0.00 1.24 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.25 7.81 136 A 7.51 3.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.00 3.83 0.00 4.09 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 0.00 138 A 8.45 4.23 1.54 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 0.00 139 V 8.05 3.58 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 1.06 0.00 0.00 1.03 0.00 0.00 140 A 7.85 4.02 1.13 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 0.00 0.00 141 F 8.06 4.37 0.00 3.30 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 0.00 142 I 7.85 3.81 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.75 0.96 0.00 0.00 143 N 8.28 4.58 0.00 2.75 2.85 0.00 0.00 7.07 8.47 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 0.00 144 N 7.84 4.22 0.00 2.84 2.87 0.00 0.00 6.96 8.53 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 0.00 145 T 8.27 4.43 4.19 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 0.00 0.00 0.00 1.24 0.00 0.00 146 A 7.69 3.85 0.70 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 0.00 0.00 147 S 8.60 4.22 0.00 3.96 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 0.00 148 K 7.85 4.49 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.38 7.81 149 R 7.77 4.60 0.00 1.85 2.08 0.00 3.58 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 150 K 8.59 4.87 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 151 I 8.97 4.54 1.93 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 1.33 0.72 0.93 0.00 0.00 152 E 8.86 4.39 0.00 1.96 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 2.29 2.30 0.00 153 T 8.06 4.77 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 1.23 0.00 0.00 154 P 0.00 4.40 0.00 2.07 2.03 0.00 3.69 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 0.00 155 Q 8.69 4.14 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 156 G 7.30 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 0.00 0.00 0.00 157 D 8.48 4.90 0.00 2.58 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 0.00 158 C 8.46 4.84 0.00 2.99 2.87 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 0.00 159 A 8.19 3.95 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 0.00 160 A 7.92 3.91 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 0.00 161 L 7.90 3.92 0.00 1.86 1.75 0.93 0.80 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 0.00 162 A 8.27 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 0.00 163 S 8.31 4.03 0.00 4.00 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 0.00 164 E 8.46 3.63 0.00 2.01 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 1.95 2.07 0.00 165 A 8.23 4.25 1.55 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 0.00 166 G 8.36 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 0.00 0.00 0.00 167 S 8.08 4.12 0.00 3.98 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 0.00 168 Y 7.36 4.37 0.00 2.98 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 0.00 169 F 8.22 4.25 0.00 3.29 3.10 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 0.00 170 D 8.67 4.49 0.00 2.88 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 0.00 171 M 8.46 4.08 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.62 0.00 172 A 7.82 3.99 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 0.00 173 A 8.03 4.15 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 0.00 174 S 8.45 4.12 0.00 4.02 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 0.00 175 A 8.09 4.12 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 0.00 176 L 7.52 4.35 0.00 1.87 1.81 1.07 0.87 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 0.00 177 R 7.54 4.15 0.00 1.97 1.86 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.