NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4443 8.1693 122.5103 54.5256 42.7512 177.2654 4 P 4.5136 0.0000 0.0000 59.6776 32.3497 174.4550 5 P 4.6411 0.0000 0.0000 65.1502 33.6676 176.5637 6 D 5.4662 7.7951 119.6880 52.5172 42.7380 175.8153 7 I 4.8156 8.8763 116.7957 59.3347 41.6860 173.8499 8 T 4.6924 8.4827 116.7220 60.5807 71.4868 172.0210 9 F 5.4766 8.4480 120.6301 53.8201 43.1439 175.5810 10 D 4.7454 8.4581 121.7917 52.3249 42.5967 177.5562 11 S 4.0706 8.4440 114.4104 61.8299 62.7366 176.6784 12 L 4.0496 7.8942 122.2469 58.0634 41.7356 178.5955 13 A 3.9738 7.7953 119.9285 54.8588 18.3629 178.9532 14 L 3.4708 7.7411 118.0815 58.1842 42.1742 178.8282 15 I 3.9461 7.2308 118.0506 64.3549 37.4864 180.3638 16 K 3.9716 7.9614 118.8850 56.8860 32.1069 178.5138 *18 H 4.8035 8.2441 117.5424 55.3936 30.6243 174.4050 19 S 4.2525 7.8358 117.0123 58.7421 63.2559 175.8368 20 Q 4.2414 8.9096 121.3188 58.4826 27.9535 178.0240 21 S 4.4412 7.1996 113.1460 58.1955 62.7749 175.0805 *23 K 4.2521 8.1458 125.0603 57.8595 34.4144 177.9095 24 K 4.1216 7.9696 123.0584 59.4032 31.8526 183.4552 25 I 3.9397 7.7175 120.7178 64.1037 36.9931 178.1280 26 L 4.0302 7.8980 120.6410 58.1551 41.9245 178.2366 27 E 3.9379 7.9418 119.3884 59.6688 29.3704 179.0240 28 I 3.8079 7.7998 119.3112 64.4159 37.0790 178.3976 29 T 4.3389 8.3423 116.9506 67.0770 68.2399 176.5741 30 L 4.2118 8.1676 118.5842 57.1660 41.7099 179.0048 31 A 4.1280 7.6946 120.7389 54.2571 18.3437 178.7739 32 K 4.0846 7.6199 115.0342 55.7921 33.7750 176.4821 33 F 5.2130 7.8467 116.1352 55.8060 42.9118 174.9000 34 T 4.4807 9.3699 118.6505 62.6733 70.2854 174.0121 35 V 4.6136 8.6281 126.6290 61.8058 33.2935 174.1841 36 N 5.2930 8.9240 127.8979 51.8030 38.0639 174.0888 37 L 4.2477 9.2182 123.9752 53.6612 43.4475 176.5953 38 S 4.4085 8.5788 117.6371 57.9360 63.3067 174.8567 39 I 3.7087 8.5301 126.5522 63.9901 37.4807 178.6440 40 V 3.8564 7.9115 119.4599 66.1908 31.3035 178.1311 41 T 3.9503 7.8064 116.3561 66.0438 68.4339 176.5404 42 V 3.6666 8.0238 120.3288 66.3447 31.7027 177.3169 43 Y 4.2457 8.5333 119.4535 60.9148 38.0815 178.3840 44 R 3.2594 8.2548 119.2941 58.9651 30.1643 178.3674 45 Y 4.0699 8.2248 119.5034 60.8831 38.8656 178.2464 46 L 3.9331 8.5870 119.8577 57.7129 41.6156 179.8714 47 T 3.8142 7.4381 115.7027 66.7525 68.1711 177.1854 48 V 3.6840 7.0724 111.9899 64.0332 31.8110 178.7311 49 R 3.9165 7.6671 117.6870 59.2507 29.9357 178.8138 50 A 3.9991 8.0863 120.6041 55.4466 18.0886 179.0172 51 Y 4.0460 7.9987 117.1011 60.2974 38.8234 177.2382 52 L 4.3085 7.6113 117.8289 53.6597 41.9796 176.4796 53 K 3.8629 7.7638 116.8031 57.5037 29.8099 176.2733 54 K 4.2457 7.8364 116.5608 55.4915 33.3696 177.6566 55 N 4.5955 8.3541 119.3629 53.0460 38.4715 175.4081 56 I 3.8147 8.1224 122.8082 63.3272 37.9245 177.7153 57 E 4.0397 8.3994 122.9095 59.9187 29.3036 179.7351 58 L 4.0398 8.4226 122.2989 59.6189 41.0950 180.9181 59 E 4.2459 8.4443 120.2216 59.1805 29.3642 179.3557 60 L 4.0730 8.4107 120.7195 58.2108 41.9310 178.6531 61 D 4.4244 7.7267 118.0327 57.4458 40.8622 178.7035 62 V 3.7326 7.8700 118.6402 65.8393 31.4948 177.9905 63 L 4.1412 8.0979 119.0261 57.7534 41.4333 179.3143 64 K 4.4975 8.5405 118.4157 59.1622 32.8418 179.0441 65 D 4.5000 7.6456 123.0790 58.0028 39.9155 182.5689 66 I 4.2897 7.4618 111.0672 60.8109 38.8887 174.7327 67 Y 5.1606 7.6611 117.8354 56.1287 41.1682 174.5542 68 N 4.8412 9.4535 120.7065 52.7425 40.7239 173.6781 69 I 4.8104 8.4460 126.8723 59.7238 39.3213 175.0682 70 V 4.2310 9.2839 129.3987 60.6973 32.5381 173.7322 71 P 4.6174 0.0000 0.0000 62.4712 32.3495 176.5060 72 L 4.1844 8.4249 124.6166 54.1816 41.8725 175.1187 73 N 5.0915 7.8860 126.4046 51.2077 40.3122 174.9026 74 E 3.9205 8.6234 115.9857 59.9879 29.5805 178.9102 75 E 3.9345 7.9543 118.1221 59.5151 29.5857 179.3875 76 I 3.5314 7.5130 119.4458 64.0816 37.0584 178.3257 77 A 3.9393 7.7501 121.2675 55.0668 18.1764 179.4996 78 I 3.5710 7.6840 118.2726 64.4720 37.1626 178.2449 79 K 3.8098 7.8300 119.3486 59.7045 32.0281 178.5314 80 A 3.8594 8.5123 120.8377 55.0402 18.1896 179.3501 81 A 3.9042 8.3395 119.6993 55.4381 18.5758 179.7251 82 Q 3.9050 8.0996 118.0175 59.1436 29.0986 178.2316 83 I 2.5754 7.7518 121.1969 64.0193 36.8949 177.8745 84 E 3.8175 8.2094 118.7500 59.2626 29.5587 178.3036 85 A 4.1278 7.9535 119.6610 55.2391 18.7404 178.7171 86 D 4.5689 8.0269 116.0455 57.4498 41.0999 179.4248 87 L 3.8814 7.6315 115.5031 55.5848 42.0386 178.3508 *89 R 4.3823 7.9807 120.3404 56.4198 31.8598 177.3236 90 K 4.1193 8.1113 114.0253 56.5460 32.3441 176.5874 91 G 3.5286 7.3381 105.6265 45.4653 0.0000 172.3112 *94 P 4.1789 0.0000 0.0000 61.8800 33.0805 177.0572 95 D 4.4557 8.2966 120.2668 54.3993 42.6408 177.7702 96 I 3.6536 8.3144 124.3433 64.5419 37.2239 178.2482 97 E 3.9672 8.1871 119.4752 59.4258 29.4630 178.3694 98 D 4.5183 8.0360 118.1640 57.6711 40.9507 179.0686 99 V 3.6383 7.6959 112.6759 64.5514 31.5318 178.7665 100 L 4.0137 8.1399 118.6771 57.9055 41.4244 179.7415 101 T 3.9207 8.2547 115.7960 66.3419 68.3294 176.8417 102 A 3.8549 8.7737 122.8517 54.9850 18.4851 179.3182 103 A 3.9232 8.4667 119.6852 55.8856 18.3606 179.9954 104 T 3.8791 7.9130 113.8168 66.7666 68.3991 176.8100 105 A 3.9486 7.9991 122.6594 55.1593 17.8955 179.7711 106 I 3.6553 8.1295 118.7735 64.4861 36.8983 178.1562 107 Y 4.1358 7.8639 119.8443 60.8258 38.8908 177.3194 108 T 3.9230 8.1253 107.3113 61.0405 70.2291 174.1471 109 K 3.7549 7.2338 119.8841 58.2122 30.0970 174.8717 110 S 4.9348 8.0042 113.0169 56.2612 66.0866 175.8913 111 L 4.0339 8.3165 126.7631 54.9433 43.3521 175.4293 112 L 4.4084 8.5923 129.5075 54.2546 43.1421 175.2775 113 I 4.3200 8.0491 129.0419 60.4210 38.5057 175.1093 114 T 4.9950 8.1345 120.6145 60.5525 70.8114 173.7567 115 D 4.6315 8.9938 125.2318 55.6051 41.0495 176.2252 116 D 4.7988 8.2778 117.8841 52.9118 41.2760 175.4683 117 S 4.6436 8.2351 119.8193 60.7424 63.8132 177.0482 118 K 4.0864 7.7297 121.1864 59.6320 32.1931 179.2354 119 R 3.9169 7.3207 116.3142 58.2178 29.3686 177.3159 120 Y 4.5367 7.3204 116.0882 58.3131 38.4540 176.5957 121 E 4.2008 8.2517 121.5980 58.3977 30.0632 177.9407 122 P 4.4116 0.0000 0.0000 62.3249 30.8670 177.3869 *124 R 4.5787 8.2472 119.7746 57.5765 31.6377 177.0665 125 R 3.6460 8.1989 112.1341 59.0202 29.0234 176.9174 126 F 4.3257 8.2760 114.5850 57.5552 39.2399 176.0499 127 G 4.0275 8.8668 110.1713 44.8392 0.0000 173.1672 128 L 4.2274 7.7493 121.8266 54.6228 42.7745 175.7854 129 D 4.8964 8.6703 126.4012 53.7436 42.8147 175.7555 130 T 5.6170 7.7866 112.0642 58.5454 72.1756 170.8598 *132 P 4.4196 0.0000 0.0000 62.5251 32.8049 177.0626 133 L 4.0946 8.7660 124.7242 58.5992 42.1096 179.3583 134 D 4.3859 8.1495 118.4349 56.3992 39.3025 178.3072 135 K 4.0233 8.0541 120.6285 59.0872 32.3054 178.5093 136 F 4.1866 8.5478 121.4436 61.1911 39.1915 177.2736 137 V 3.4927 8.3848 120.6952 66.5129 31.3011 178.8606 138 K 4.0745 8.1270 125.5572 60.3750 31.3340 181.7393 139 E 4.1950 8.0657 118.7334 60.8639 29.6625 181.2510 140 V 3.8734 7.2089 118.0369 65.9505 31.8783 177.7469 141 E 4.1359 7.8727 118.4630 59.0194 29.2324 179.7407 142 L 3.8135 7.8195 121.4018 56.1638 42.4750 179.7590 *144 V 4.0933 7.7915 115.9106 60.3316 33.9150 180.4417 145 E 3.9821 8.2372 121.6580 59.8175 29.2202 178.7858 146 K 4.3060 8.7002 118.5814 53.9516 31.7276 178.6660 147 E 3.9641 7.6544 116.6052 58.5767 27.5361 174.7371 148 L 4.2786 7.2548 120.2602 54.9201 41.8560 176.7516 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 3 L 8.17 4.44 0.00 1.67 1.83 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.51 0.00 2.37 2.19 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 5 P 0.00 4.64 0.00 2.18 2.38 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 6 D 7.80 5.47 0.00 2.69 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 7 I 8.88 4.82 1.16 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.99 0.43 0.00 0.00 8 T 8.48 4.69 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 0.98 0.00 0.00 9 F 8.45 5.48 0.00 2.69 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 10 D 8.46 4.75 0.00 3.05 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 11 S 8.44 4.07 0.00 3.90 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 12 L 7.89 4.05 0.00 1.76 1.68 0.93 0.96 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 13 A 7.80 3.97 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 14 L 7.74 3.47 0.00 1.46 1.66 0.29 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.23 3.95 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.94 0.00 0.00 16 K 7.96 3.97 0.00 1.89 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.70 7.81 *18 H 8.24 4.80 0.00 3.34 3.45 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.84 4.25 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 20 Q 8.91 4.24 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.80 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 21 S 7.20 4.44 0.00 4.10 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 *23 K 8.15 4.25 0.00 2.10 1.90 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 24 K 7.97 4.12 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.09 7.81 25 I 7.72 3.94 1.92 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 1.54 0.76 0.97 0.00 0.00 26 L 7.90 4.03 0.00 1.80 1.86 1.04 0.86 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 27 E 7.94 3.94 0.00 2.18 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 0.00 2.32 2.37 0.00 28 I 7.80 3.81 1.91 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 1.31 0.94 0.00 0.00 29 T 8.34 4.34 4.70 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 1.74 0.00 0.00 30 L 8.17 4.21 0.00 1.66 1.76 0.87 0.83 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 31 A 7.69 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 32 K 7.62 4.08 0.00 1.39 0.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.31 7.81 33 F 7.85 5.21 0.00 3.10 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 34 T 9.37 4.48 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 V 8.63 4.61 2.55 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 0.87 0.00 0.00 1.30 0.00 0.00 36 N 8.92 5.29 0.00 2.58 2.76 0.00 0.00 7.10 7.48 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 37 L 9.22 4.25 0.00 1.51 1.49 0.41 0.57 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 38 S 8.58 4.41 0.00 3.85 3.74 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 0.00 0.00 0.00 39 I 8.53 3.71 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.93 0.00 0.00 40 V 7.91 3.86 2.15 0.00 0.00 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 0.00 0.00 0.96 0.00 0.00 41 T 7.81 3.95 4.38 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 1.27 0.00 0.00 42 V 8.02 3.67 2.30 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 0.94 0.00 0.00 1.03 0.00 0.00 43 Y 8.53 4.25 0.00 3.08 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 44 R 8.25 3.26 0.00 1.91 1.82 0.00 2.70 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 1.84 2.11 0.00 45 Y 8.22 4.07 0.00 3.05 3.18 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 0.00 0.00 0.00 0.00 46 L 8.59 3.93 0.00 1.72 1.73 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.44 3.81 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 1.12 0.00 0.00 48 V 7.07 3.68 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 0.61 0.00 0.00 0.87 0.00 0.00 49 R 7.67 3.92 0.00 1.79 1.82 0.00 3.05 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.20 0.00 50 A 8.09 4.00 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 51 Y 8.00 4.05 0.00 3.03 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 52 L 7.61 4.31 0.00 1.81 1.64 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.76 3.86 0.00 2.11 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.27 7.81 54 K 7.84 4.25 0.00 1.70 1.83 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.32 7.81 55 N 8.35 4.60 0.00 2.75 2.74 0.00 0.00 6.66 7.73 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 56 I 8.12 3.81 1.89 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 1.65 0.95 0.93 0.00 0.00 57 E 8.40 4.04 0.00 2.27 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 2.42 2.46 0.00 58 L 8.42 4.04 0.00 1.65 1.67 0.92 0.79 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 59 E 8.44 4.25 0.00 2.04 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 0.00 2.36 2.44 0.00 60 L 8.41 4.07 0.00 1.87 1.94 1.01 1.34 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 61 D 7.73 4.42 0.00 2.87 2.74 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 0.00 0.00 0.00 62 V 7.87 3.73 2.26 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 1.02 0.00 0.00 0.99 0.00 0.00 63 L 8.10 4.14 0.00 2.10 1.92 1.15 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.54 4.50 0.00 1.91 2.01 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.48 7.81 65 D 7.65 4.50 0.00 2.78 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 66 I 7.46 4.29 1.47 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.25 0.77 0.00 0.00 67 Y 7.66 5.16 0.00 3.05 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 68 N 9.45 4.84 0.00 2.86 2.98 0.00 0.00 7.37 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 69 I 8.45 4.81 1.93 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 1.32 0.86 0.97 0.00 0.00 70 V 9.28 4.23 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 1.07 0.00 0.00 1.02 0.00 0.00 71 P 0.00 4.62 0.00 1.97 1.97 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 72 L 8.42 4.18 0.00 1.54 1.56 0.84 0.89 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 73 N 7.89 5.09 0.00 2.89 2.88 0.00 0.00 6.19 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 74 E 8.62 3.92 0.00 2.04 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 2.38 2.43 0.00 75 E 7.95 3.93 0.00 1.67 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 2.45 2.40 0.00 76 I 7.51 3.53 1.63 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 1.12 -0.36 0.83 0.00 0.00 77 A 7.75 3.94 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 78 I 7.68 3.57 2.03 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 1.40 0.76 0.92 0.00 0.00 79 K 7.83 3.81 0.00 1.96 1.96 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.50 7.81 80 A 8.51 3.86 1.27 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 0.00 0.00 0.00 81 A 8.34 3.90 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 82 Q 8.10 3.91 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 83 I 7.75 2.58 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.12 0.58 0.00 0.00 84 E 8.21 3.82 0.00 1.91 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 2.30 2.30 0.00 85 A 7.95 4.13 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 D 8.03 4.57 0.00 3.19 3.13 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 87 L 7.63 3.88 0.00 1.81 1.69 0.89 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 *89 R 7.98 4.38 0.00 2.19 2.04 0.00 3.23 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.23 0.00 90 K 8.11 4.12 0.00 1.92 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.37 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.61 7.81 91 G 7.34 3.53 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 0.00 *94 P 0.00 4.18 0.00 2.21 2.10 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 95 D 8.30 4.46 0.00 2.88 2.60 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 0.00 0.00 0.00 0.00 96 I 8.31 3.65 1.87 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 0.64 0.91 0.00 0.00 97 E 8.19 3.97 0.00 2.07 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 2.44 2.49 0.00 98 D 8.04 4.52 0.00 2.82 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 99 V 7.70 3.64 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 0.87 0.00 0.00 1.02 0.00 0.00 100 L 8.14 4.01 0.00 1.71 1.71 0.91 0.57 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 0.00 101 T 8.25 3.92 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 A 8.77 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 0.00 103 A 8.47 3.92 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 0.00 104 T 7.91 3.88 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 1.25 0.00 0.00 105 A 8.00 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 0.00 106 I 8.13 3.66 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.98 0.00 0.00 107 Y 7.86 4.14 0.00 2.99 3.22 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 0.00 108 T 8.13 3.92 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 1.35 0.00 0.00 109 K 7.23 3.75 0.00 2.11 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 110 S 8.00 4.93 0.00 3.60 3.48 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 0.00 111 L 8.32 4.03 0.00 1.67 1.33 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.59 4.41 0.00 1.51 1.37 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.05 4.32 1.16 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.17 0.74 0.00 0.00 114 T 8.13 5.00 4.32 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 1.29 0.00 0.00 115 D 8.99 4.63 0.00 2.70 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 0.00 116 D 8.28 4.80 0.00 2.66 2.47 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 0.00 0.00 0.00 0.00 117 S 8.24 4.64 0.00 3.98 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 0.00 118 K 7.73 4.09 0.00 2.17 2.08 0.00 1.32 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.43 7.81 119 R 7.32 3.92 0.00 1.95 1.95 0.00 2.88 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.00 120 Y 7.32 4.54 0.00 3.13 2.98 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 0.00 0.00 0.00 121 E 8.25 4.20 0.00 2.00 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 2.35 2.40 0.00 122 P 0.00 4.41 0.00 2.27 2.19 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 *124 R 8.25 4.58 0.00 1.94 2.21 0.00 3.45 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 125 R 8.20 3.65 0.00 2.01 2.01 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.00 126 F 8.28 4.33 0.00 3.07 3.18 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 0.00 0.00 0.00 0.00 127 G 8.87 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 0.00 0.00 0.00 128 L 7.75 4.23 0.00 1.68 1.63 0.79 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.67 4.90 0.00 2.57 2.51 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 0.00 130 T 7.79 5.62 4.16 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 0.00 0.00 0.00 1.07 0.00 0.00 *132 P 0.00 4.42 0.00 2.32 2.09 0.00 3.64 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 2.11 0.00 133 L 8.77 4.09 0.00 1.84 1.75 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.15 4.39 0.00 3.07 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 0.00 135 K 8.05 4.02 0.00 1.89 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 136 F 8.55 4.19 0.00 3.12 3.27 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 0.00 137 V 8.38 3.49 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 0.93 0.00 0.00 1.08 0.00 0.00 138 K 8.13 4.07 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 139 E 8.07 4.20 0.00 2.06 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 2.26 2.19 0.00 140 V 7.21 3.87 1.76 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 0.96 0.00 0.00 0.41 0.00 0.00 141 E 7.87 4.14 0.00 1.97 1.96 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 2.31 2.44 0.00 142 L 7.82 3.81 0.00 1.96 1.78 0.92 1.05 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 *144 V 7.79 4.09 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 0.73 0.00 0.00 0.97 0.00 0.00 145 E 8.24 3.98 0.00 2.17 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 2.48 2.40 0.00 146 K 8.70 4.31 0.00 1.64 1.78 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.28 7.81 147 E 7.65 3.96 0.00 2.13 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 2.24 2.25 0.00 148 L 7.25 4.28 0.00 1.67 1.53 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.