NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8319 0.0000 0.0000 62.7684 33.5506 173.9604 2 I 4.9749 8.2352 119.1392 58.1542 39.8695 170.3594 3 V 4.5495 8.9880 125.6509 59.9103 35.8121 173.6406 4 Q 4.8750 8.5505 123.3143 55.1560 30.1522 175.4704 5 N 4.7641 8.9766 124.7794 51.6417 39.0410 175.7544 6 L 4.0340 8.2781 117.0778 57.5521 41.6628 178.4877 7 Q 4.0825 8.1298 115.7592 56.6412 29.0364 176.7207 8 G 3.9493 8.3672 106.5257 44.9815 0.0000 173.3964 9 Q 4.4461 8.3017 118.8825 55.1682 30.6957 174.7443 10 M 4.8560 8.4320 121.8546 54.8317 33.1185 175.9614 11 V 4.6015 8.7748 116.1586 59.5229 36.9771 174.1702 12 H 4.7978 8.8012 121.6799 56.3415 30.5951 173.9532 13 Q 4.6051 8.3393 126.0013 53.7071 30.8601 175.2532 14 A 4.0829 8.6213 129.2510 51.9208 19.1304 177.0290 15 I 3.7110 8.2559 122.2743 61.5722 37.7938 177.2062 16 S 4.3990 8.4495 119.9212 57.3596 65.1252 173.3422 17 P 4.2365 0.0000 0.0000 66.2171 31.1006 179.2028 18 R 3.9718 7.9395 116.0799 59.4460 29.9881 179.1981 19 T 3.9097 8.0168 115.6469 66.4898 68.4091 176.6815 20 L 4.0970 8.1966 122.4497 58.1397 42.1566 178.5176 21 N 4.2968 8.5919 116.6739 56.5260 38.4758 177.1835 22 A 4.0435 8.0791 121.9120 54.9003 18.3727 179.4887 23 W 4.3514 8.5049 126.9876 60.6421 30.8041 178.3191 24 V 3.2666 8.1588 118.5263 65.9123 30.9346 178.1945 25 K 4.0907 7.9795 118.1683 59.3650 31.7813 179.5515 26 V 3.4813 7.9195 118.7981 65.7982 31.4356 178.2651 27 V 2.9211 7.2652 118.3929 65.6597 31.0538 177.7792 28 E 3.8289 8.0889 116.4455 59.3772 29.3540 178.4574 29 E 4.1750 7.8953 118.1863 57.5080 30.1342 177.3891 30 K 4.3289 8.1295 115.8425 55.6116 34.4742 175.9645 31 A 3.2950 7.3454 122.7777 51.9000 18.8894 177.9025 32 F 4.5593 6.3123 122.3353 56.1907 39.8948 175.1131 33 S 4.6146 8.2358 117.0634 57.2386 64.1942 173.8847 34 P 4.3111 0.0000 0.0000 66.5248 29.2878 178.1181 35 E 4.1924 7.8350 117.7875 58.2386 29.2518 179.3086 36 V 3.9040 7.9494 119.8658 64.4669 31.2723 178.6411 37 I 3.8742 7.8352 120.7504 64.1002 37.1807 176.5906 38 P 4.2995 0.0000 0.0000 65.6748 31.0126 178.7313 39 M 4.1296 7.6974 115.2676 58.2478 31.9775 178.3138 40 F 4.0106 8.8119 121.2148 61.5539 39.3311 177.2934 41 S 3.8151 8.2737 113.4487 61.3628 62.8843 176.4003 42 A 4.0480 7.8494 123.1253 55.1726 18.1005 179.7802 43 L 4.0071 7.9686 116.3779 56.9351 41.8875 178.7516 44 S 4.2184 7.3077 113.1674 56.8958 63.1350 173.6492 45 E 3.9361 7.1567 123.0213 58.2047 29.5722 177.5307 46 G 3.8028 8.9006 110.2662 45.5001 0.0000 173.0222 47 A 4.2007 7.7535 123.9730 51.9142 19.0072 178.1226 48 T 4.2255 8.8038 113.2462 60.5206 71.1540 174.1942 49 P 4.4671 0.0000 0.0000 66.0264 31.2403 178.6689 50 Q 3.9917 8.0887 117.6897 59.3676 29.0293 177.9019 51 D 4.3894 8.1314 119.8734 57.3594 40.8065 178.8037 52 L 3.9106 8.2341 119.6817 57.9378 41.5288 179.3638 53 N 4.4676 8.6332 116.6232 56.5121 38.1954 177.6469 54 T 3.9274 7.8535 116.5915 66.8970 68.7267 176.2069 55 M 4.3270 8.1910 120.5991 58.5302 32.0085 178.9007 56 L 4.2725 8.2305 119.1494 57.7518 41.6421 178.5749 57 N 4.7858 8.4052 113.9493 54.6981 38.7753 176.7388 58 T 4.3684 7.6987 117.0643 64.1761 68.8082 174.7872 59 V 3.6871 7.4817 121.2729 62.4500 31.6591 175.2253 60 G 3.9384 8.6168 116.8663 45.1271 0.0000 174.4631 61 G 3.6609 8.5110 111.9934 46.3071 0.0000 171.9907 62 H 4.2909 8.6128 111.0826 56.5987 26.7933 177.1605 63 Q 4.0447 8.4668 118.7340 59.3259 28.7425 178.3429 64 A 4.0113 8.0685 120.7426 55.1581 18.4370 179.3735 65 A 3.9736 8.1055 118.8252 55.6369 18.5603 179.6489 66 M 3.9845 8.5516 117.6415 58.3704 31.9646 178.8206 67 Q 3.9640 8.2248 119.9750 59.2667 29.1775 177.8706 68 M 4.1496 8.0233 119.3256 58.5247 32.1925 177.8485 69 L 3.8487 8.1632 120.8860 58.0697 42.1378 178.9080 70 K 3.9732 8.1904 119.4966 59.5180 32.1534 178.5619 71 E 3.9424 8.3238 118.8907 59.7014 29.2951 179.5188 72 T 3.8267 8.1000 115.7526 66.7451 68.4699 176.6977 73 I 3.7858 8.0601 121.9555 64.5727 37.2151 178.2553 74 N 4.2608 8.4221 117.4653 56.1057 38.2798 176.8311 75 E 3.7847 8.1207 120.6151 59.5372 29.7248 178.6515 76 E 3.4303 8.0333 118.2439 59.1379 29.3870 179.3652 77 A 3.5563 7.5276 120.5077 54.9558 18.5640 179.6240 78 A 3.9397 7.7422 119.0834 55.2990 18.4840 179.7135 79 E 3.8845 8.2655 117.3179 59.0480 29.4787 179.1017 80 W 4.2500 8.5016 128.9038 60.8585 30.5372 177.5160 81 D 4.4664 7.9794 116.8718 57.7087 40.3952 178.7636 82 R 3.9852 7.6259 117.2287 58.9257 30.1734 177.7225 83 L 4.2300 7.6770 116.3332 54.9703 43.3375 176.4421 84 H 4.6723 7.3282 114.9574 53.1982 28.8720 171.7397 85 P 4.3888 0.0000 0.0000 62.7605 32.3419 176.6608 86 V 4.5076 7.7771 113.0797 59.5138 35.8195 175.1321 87 H 4.4839 8.3582 117.9197 55.8469 29.1450 176.1024 88 A 4.1462 8.6681 121.4110 51.2320 17.7558 177.7702 89 G 4.2931 7.2740 110.9015 45.4811 0.0000 171.4473 90 P 4.3914 0.0000 0.0000 62.8176 31.7916 176.7902 91 I 3.7897 9.0027 123.1390 65.2456 38.5207 178.4771 92 E 3.7307 6.8041 111.1314 54.8826 31.6263 177.1182 93 P 4.4170 0.0000 0.0000 62.3462 32.1010 174.5705 *96 M 4.1667 8.4580 122.3197 54.7071 32.3902 175.0268 97 R 4.2474 8.4971 122.9405 55.8690 30.4380 176.4299 98 E 4.1835 8.6017 119.9544 55.4728 30.2151 175.2921 99 P 3.9918 0.0000 0.0000 62.5510 32.0910 176.8689 100 R 4.7177 9.0432 120.6681 54.6559 33.0809 178.0471 101 G 3.8770 9.9537 107.0839 48.4565 0.0000 176.1691 102 S 4.2043 8.0813 116.0726 60.8280 63.0593 176.1937 103 D 4.3983 7.8564 122.5572 57.3303 40.4865 178.4035 104 I 3.2279 7.3000 118.9512 64.1218 37.0210 176.9462 105 A 2.5800 7.6852 120.1075 51.7332 18.2792 178.2022 106 G 3.9744 7.7397 104.8966 45.5280 0.0000 174.8260 107 T 4.2062 7.7779 109.8493 62.9649 69.3834 175.6936 108 T 4.5151 7.9162 109.1362 60.9235 69.8842 173.7022 109 S 5.0567 7.8006 116.7067 56.7723 65.6307 174.4696 110 T 4.2551 8.5729 113.2597 60.9776 71.0109 175.6192 111 L 3.8840 8.3134 122.9996 58.4987 41.9963 179.0124 112 Q 3.8871 7.8774 118.9635 58.9989 28.9922 177.7899 113 E 3.3222 8.0054 119.6815 59.0397 29.3246 179.1835 114 Q 4.2478 7.8744 117.9614 59.3072 28.9761 179.2133 115 I 3.8061 7.8447 120.7527 64.0876 36.7961 178.4633 116 G 3.6383 8.2267 107.1167 47.7893 0.0000 175.7226 117 W 4.3898 7.9565 121.5458 59.8432 28.9569 178.7568 118 M 4.3236 8.3411 117.2956 57.4562 31.3739 177.2950 119 T 4.4909 7.3713 106.4809 61.2128 69.1944 173.9857 120 H 4.1945 7.8966 122.4874 56.5331 30.3818 173.8221 121 N 4.8385 8.0504 122.4568 51.1449 38.9359 172.5072 122 P 4.6957 0.0000 0.0000 60.7670 32.9061 174.3803 123 P 4.5179 0.0000 0.0000 62.3841 31.6632 176.8866 124 I 4.3061 8.2859 123.5672 59.2893 37.4652 175.1208 125 P 4.6057 0.0000 0.0000 61.6880 28.1318 176.9546 126 V 3.3753 7.5935 116.7760 64.7304 31.9180 178.4175 127 G 3.6021 7.8142 106.5328 47.3613 0.0000 175.5283 128 E 3.8964 7.9690 121.0033 58.8661 29.5348 179.3987 129 I 3.3325 7.7671 120.1991 64.3972 37.0578 177.8259 130 Y 3.4881 7.4269 120.2616 60.4621 38.4730 178.1730 131 K 3.9598 8.2268 119.7718 59.4102 32.0267 179.2348 132 R 3.9556 7.7904 118.9723 59.2473 30.0313 178.6650 133 W 4.4236 7.9672 118.3046 59.8837 29.0000 178.5199 134 I 3.6574 8.2889 120.1850 64.5850 36.4483 178.6255 135 I 3.6658 8.2225 120.9809 63.9815 36.7497 178.0565 136 L 4.0667 8.3374 121.7021 58.3310 41.8849 179.4205 137 G 3.5669 8.2295 105.4114 47.8277 0.0000 175.6841 138 L 3.8699 8.0964 121.7775 57.4792 41.3431 179.3508 139 N 4.3919 8.2520 116.0744 56.1879 38.6088 177.2979 140 K 4.1405 7.7892 119.7413 59.6251 32.1969 179.5463 141 I 3.8616 7.7279 119.8922 64.0722 36.9966 178.7380 142 V 4.8849 7.8204 114.8203 63.9084 31.0784 178.5506 143 R 4.0883 7.7105 116.9056 58.8099 29.9388 178.0122 144 M 4.1876 8.3970 117.2205 56.2752 32.2556 175.8244 145 Y 4.1060 7.8134 121.8854 57.9287 38.3971 175.3734 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 P 0.00 4.83 0.00 2.07 2.24 0.00 3.79 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 2.07 1.79 0.00 2 I 8.24 4.97 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 1.41 0.79 0.94 0.00 0.00 3 V 8.99 4.55 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 0.82 0.00 0.00 0.91 0.00 0.00 4 Q 8.55 4.87 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 5 N 8.98 4.76 0.00 2.96 2.95 0.00 0.00 6.62 6.49 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 6 L 8.28 4.03 0.00 1.65 1.77 0.91 0.88 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 7 Q 8.13 4.08 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 8 G 8.37 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 9 Q 8.30 4.45 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 10 M 8.43 4.86 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 11 V 8.77 4.60 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 0.71 0.00 0.00 0.97 0.00 0.00 12 H 8.80 4.80 0.00 3.10 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.34 4.61 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 14 A 8.62 4.08 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 15 I 8.26 3.71 1.88 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 1.43 0.68 0.90 0.00 0.00 16 S 8.45 4.40 0.00 4.04 3.97 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 0.00 0.00 0.00 17 P 0.00 4.24 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.77 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 18 R 7.94 3.97 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 19 T 8.02 3.91 4.36 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 1.18 0.00 0.00 20 L 8.20 4.10 0.00 1.97 1.72 1.05 0.82 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 21 N 8.59 4.30 0.00 2.96 2.88 0.00 0.00 6.93 6.86 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 22 A 8.08 4.04 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 23 W 8.50 4.35 0.00 3.40 3.26 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 24 V 8.16 3.27 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 0.81 0.00 0.00 0.97 0.00 0.00 25 K 7.98 4.09 0.00 2.11 1.80 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 V 7.92 3.48 2.17 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 1.07 0.00 0.00 1.04 0.00 0.00 27 V 7.27 2.92 1.64 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 0.61 0.00 0.00 -0.42 0.00 0.00 28 E 8.09 3.83 0.00 2.01 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 2.40 2.25 0.00 29 E 7.90 4.18 0.00 2.00 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 2.26 2.37 0.00 30 K 8.13 4.33 0.00 1.73 1.68 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.26 7.81 31 A 7.35 3.29 -0.24 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 0.00 0.00 0.00 32 F 6.31 4.56 0.00 2.40 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.24 4.61 0.00 3.99 3.98 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 34 P 0.00 4.31 0.00 2.31 2.42 0.00 3.74 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 2.11 2.12 0.00 35 E 7.84 4.19 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 36 V 7.95 3.90 2.17 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 1.22 0.00 0.00 0.90 0.00 0.00 37 I 7.84 3.87 2.06 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 1.60 0.76 1.01 0.00 0.00 38 P 0.00 4.30 0.00 2.20 2.14 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 39 M 7.70 4.13 0.00 2.17 2.43 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.89 0.00 40 F 8.81 4.01 0.00 3.33 3.34 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 41 S 8.27 3.82 0.00 4.01 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 42 A 7.85 4.05 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 43 L 7.97 4.01 0.00 1.54 1.67 1.20 0.88 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 44 S 7.31 4.22 0.00 3.48 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.16 3.94 0.00 1.98 1.86 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 2.45 2.38 0.00 46 G 8.90 3.80 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 0.00 0.00 0.00 47 A 7.75 4.20 1.16 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 0.00 0.00 0.00 48 T 8.80 4.23 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 1.25 0.00 0.00 49 P 0.00 4.47 0.00 2.36 2.32 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 50 Q 8.09 3.99 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 51 D 8.13 4.39 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.23 3.91 0.00 1.82 1.44 0.83 0.79 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 53 N 8.63 4.47 0.00 2.99 2.96 0.00 0.00 7.06 7.90 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 54 T 7.85 3.93 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 1.27 0.00 0.00 55 M 8.19 4.33 0.00 1.44 2.12 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.24 0.00 56 L 8.23 4.27 0.00 1.78 1.80 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.41 4.79 0.00 2.87 2.93 0.00 0.00 7.10 8.04 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 58 T 7.70 4.37 4.81 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 1.30 0.00 0.00 59 V 7.48 3.69 2.35 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 0.88 0.00 0.00 1.21 0.00 0.00 60 G 8.62 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 61 G 8.51 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.61 4.29 0.00 3.60 3.74 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.47 4.04 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 64 A 8.07 4.01 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 65 A 8.11 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.55 3.98 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.03 0.00 67 Q 8.22 3.96 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 68 M 8.02 4.15 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 69 L 8.16 3.85 0.00 1.64 1.75 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.19 3.97 0.00 1.90 2.03 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 71 E 8.32 3.94 0.00 2.22 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 2.32 2.50 0.00 72 T 8.10 3.83 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 I 8.06 3.79 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.92 1.20 0.00 0.00 74 N 8.42 4.26 0.00 2.84 2.83 0.00 0.00 6.65 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 75 E 8.12 3.78 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 76 E 8.03 3.43 0.00 1.16 1.12 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 2.24 2.18 0.00 77 A 7.53 3.56 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 78 A 7.74 3.94 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 79 E 8.27 3.88 0.00 1.88 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 2.35 2.39 0.00 80 W 8.50 4.25 0.00 3.73 3.38 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 81 D 7.98 4.47 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.63 3.99 0.00 1.81 2.05 0.00 3.22 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.68 4.23 0.00 1.35 1.36 0.85 0.69 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 84 H 7.33 4.67 0.00 2.77 3.01 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.39 0.00 1.98 1.94 0.00 3.49 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 86 V 7.78 4.51 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 87 H 8.36 4.48 0.00 3.23 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.67 4.15 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 89 G 7.27 4.29 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 0.00 90 P 0.00 4.39 0.00 2.22 2.13 0.00 3.80 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 2.02 2.03 0.00 91 I 9.00 3.79 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.91 0.00 0.00 92 E 6.80 3.73 0.00 2.03 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 2.31 2.40 0.00 93 P 0.00 4.42 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 *96 M 8.46 4.17 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 97 R 8.50 4.25 0.00 2.09 2.03 0.00 3.22 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 98 E 8.60 4.18 0.00 2.01 1.92 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 2.36 2.26 0.00 99 P 0.00 3.99 0.00 1.31 0.49 0.00 3.41 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 0.00 100 R 9.04 4.72 0.00 1.82 2.29 0.00 3.35 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 101 G 9.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.08 4.20 0.00 4.06 4.15 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 0.00 0.00 0.00 0.00 103 D 7.86 4.40 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.30 3.23 1.53 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 0.53 -0.03 -0.26 0.00 0.00 105 A 7.69 2.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.74 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.78 4.21 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 0.00 108 T 7.92 4.52 4.28 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 1.23 0.00 0.00 109 S 7.80 5.06 0.00 4.18 4.34 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 0.00 110 T 8.57 4.26 4.18 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 1.17 0.00 0.00 111 L 8.31 3.88 0.00 1.84 1.64 0.83 0.37 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 0.00 112 Q 7.88 3.89 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 113 E 8.01 3.32 0.00 1.82 1.12 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 1.87 2.08 0.00 114 Q 7.87 4.25 0.00 2.28 2.22 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 2.56 2.63 0.00 115 I 7.84 3.81 1.81 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 1.46 1.24 0.93 0.00 0.00 116 G 8.23 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 0.00 0.00 0.00 117 W 7.96 4.39 0.00 3.63 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 0.00 118 M 8.34 4.32 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 119 T 7.37 4.49 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 1.26 0.00 0.00 120 H 7.90 4.19 0.00 3.54 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.05 4.84 0.00 2.63 2.64 0.00 0.00 7.03 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 0.00 122 P 0.00 4.70 0.00 2.26 2.06 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 123 P 0.00 4.52 0.00 2.09 2.27 0.00 3.72 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 124 I 8.29 4.31 1.97 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 1.37 0.64 0.70 0.00 0.00 125 P 0.00 4.61 0.00 2.21 2.20 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 126 V 7.59 3.38 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 0.43 0.00 0.00 1.06 0.00 0.00 127 G 7.81 3.60 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 0.00 0.00 0.00 128 E 7.97 3.90 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 129 I 7.77 3.33 1.09 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 -0.44 0.00 0.00 130 Y 7.43 3.49 0.00 2.73 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 0.00 131 K 8.23 3.96 0.00 1.94 1.84 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.47 7.81 132 R 7.79 3.96 0.00 2.03 2.08 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 133 W 7.97 4.42 0.00 3.75 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 0.00 134 I 8.29 3.66 1.90 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.27 0.00 0.00 135 I 8.22 3.67 2.03 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 1.55 0.88 0.97 0.00 0.00 136 L 8.34 4.07 0.00 2.00 1.97 0.96 1.16 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 0.00 137 G 8.23 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.10 3.87 0.00 1.77 1.70 0.53 0.47 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 0.00 139 N 8.25 4.39 0.00 2.92 2.90 0.00 0.00 7.07 8.15 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 0.00 140 K 7.79 4.14 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 141 I 7.73 3.86 1.82 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.86 0.00 0.00 142 V 7.82 4.88 2.17 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 0.95 0.00 0.00 1.03 0.00 0.00 143 R 7.71 4.09 0.00 1.88 2.01 0.00 3.17 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 144 M 8.40 4.19 0.00 1.61 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 145 Y 7.81 4.11 0.00 3.21 2.94 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 * Residues marked with a * may have inaccurate shift predictions.