NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2759 8.1185 123.5840 51.9774 19.7004 177.7217 4 A 3.7811 8.7479 114.1528 55.5527 18.4471 177.9119 5 A 3.9332 8.7699 119.9484 55.3315 18.9367 177.9719 6 L 3.9335 7.8643 116.7676 58.1575 41.8190 179.8519 7 R 3.9782 8.1832 117.9861 59.4000 29.9070 178.9235 8 D 4.3704 8.4342 118.9082 57.3823 40.7955 178.6510 9 Q 4.0009 8.2194 118.6205 58.9820 28.7059 179.0320 10 L 3.9631 8.3905 121.4069 58.4517 42.2164 178.7740 11 T 3.8928 8.4912 115.8321 66.8498 68.4505 176.2267 12 A 4.0159 8.2975 122.6059 54.9861 18.3326 179.2566 13 L 3.8676 8.0773 118.7750 58.4881 42.1465 179.3155 14 L 4.0828 8.1953 118.8593 57.8335 41.5293 179.4083 15 S 4.2006 8.3152 113.1435 61.6070 62.3532 176.2302 16 S 4.1179 8.2047 115.7888 61.6649 62.1116 176.0323 17 M 3.9817 8.2443 121.6128 58.2283 31.7270 178.8116 18 F 4.3162 8.5740 118.4691 60.4839 39.0048 178.1164 19 S 4.2511 8.4873 112.5729 60.8633 63.0458 174.8997 20 Q 4.3089 8.1708 117.6913 55.1486 27.2813 176.1269 21 G 3.9563 8.1113 106.1636 46.1557 0.0000 176.1228 22 L 4.0956 7.8548 122.5607 56.6267 41.7571 177.7362 23 V 5.0354 7.2876 108.5221 58.2746 35.4067 174.3780 24 D 5.2899 7.9639 120.8915 51.2094 42.2218 175.6915 25 E 4.2252 8.9931 115.8557 60.2982 29.1368 178.8793 26 Q 4.0839 8.6748 119.1986 58.6368 28.6446 178.3065 27 F 4.3765 8.5069 123.3984 60.7583 39.1117 176.9260 28 Q 4.2927 8.2705 120.1237 58.8389 28.8071 178.1290 29 Q 4.0016 8.5455 119.4993 58.7794 28.5709 178.5957 30 L 3.9489 7.5825 120.9103 58.3296 41.8143 179.0314 31 Q 3.9205 7.9115 117.7986 58.7234 28.4859 178.3699 32 M 4.1640 7.5302 118.6836 56.8410 32.4752 177.8062 33 L 3.8494 8.4839 120.9194 58.4641 42.1090 178.6750 34 Q 4.0356 7.7244 118.6911 58.4443 30.3850 176.5857 35 D 4.5624 7.7001 121.0439 52.6925 39.2361 174.3457 *40 P 4.4177 0.0000 0.0000 62.2809 33.8369 178.8882 41 G 4.0688 7.8714 104.3996 44.4727 0.0000 174.8761 42 F 4.2561 8.2478 124.6196 61.3249 39.2667 177.3868 43 V 3.2625 7.7411 117.1694 65.7574 31.4546 177.6572 44 S 3.9994 7.9444 112.4114 61.5570 62.2988 175.8806 45 E 3.9357 8.2878 121.3340 59.1963 29.0641 179.5470 46 V 3.3631 7.6756 118.5805 65.8969 31.5822 178.2735 47 V 3.3946 7.7907 118.2360 66.1948 31.2445 178.1246 48 T 3.8923 7.8652 115.3906 66.6908 68.2317 176.7215 49 L 3.9713 8.0351 120.9211 57.5252 41.6011 179.1178 50 F 4.1403 8.5630 121.0658 61.7188 39.3412 176.9593 51 C 4.2903 8.2884 115.9939 62.9682 28.0304 175.9425 52 D 4.3457 8.2512 120.3593 57.5299 40.3731 178.5998 53 D 4.2488 8.2599 119.3941 57.2358 40.7125 178.7772 54 A 3.4879 7.7532 121.5870 54.9511 18.1665 179.1759 55 D 4.1913 7.6532 116.5117 57.3614 41.2155 178.5420 56 R 3.8803 7.6609 118.8004 59.3379 30.0986 178.5536 57 I 3.7848 7.8738 119.8439 64.3652 37.0524 178.2689 58 I 3.6647 7.8114 120.8455 64.7353 37.0012 178.2686 59 N 4.3556 8.1236 117.0083 56.2945 38.2748 177.4162 60 E 3.9053 8.6180 120.4966 59.3236 29.5514 179.4047 61 I 3.4619 8.1477 120.0474 64.1990 36.9468 178.0803 62 A 3.9913 7.8593 120.4157 55.6982 18.4621 179.5248 63 T 4.1548 7.7602 115.2525 66.2459 68.4027 176.7253 64 L 3.8473 7.8788 120.9327 57.8113 41.4513 179.0175 65 L 4.1866 7.6951 115.7075 55.7970 41.9593 177.9073 66 E 4.3306 8.0143 118.6491 55.7816 30.0477 176.0247 67 Q 4.2583 7.0827 118.6035 54.8100 29.5739 174.2680 68 P 4.3182 0.0000 0.0000 65.0156 31.5029 176.9261 69 V 4.3036 7.4450 116.1205 60.6098 33.4426 174.7611 70 V 3.4808 8.1851 127.3243 62.3312 32.0891 175.9861 71 N 4.5711 8.2280 125.5359 52.9017 38.2349 175.1786 72 F 4.2263 8.5108 126.9671 59.9188 39.2380 176.9675 73 D 4.4293 8.3407 118.5627 57.3316 40.5770 178.5374 74 K 4.0629 8.3177 119.8387 59.1973 32.2110 178.9679 75 V 3.4944 7.8620 118.7017 66.0686 31.3802 177.3985 76 D 4.3462 8.4500 117.5448 57.3328 41.0760 178.1050 77 A 3.9834 8.2824 121.2233 55.5215 18.4643 179.1537 78 Y 3.7571 8.4440 115.4622 61.1523 37.8169 179.2173 79 V 3.4054 7.8793 119.1128 66.2142 31.6144 177.6120 80 H 4.1366 8.4490 118.1121 59.0745 29.5941 177.1071 81 Q 3.8620 8.0284 121.6066 59.1000 28.9081 177.9798 82 L 3.9614 7.9601 121.3820 57.6358 41.9997 178.6613 83 K 3.9925 8.4427 120.4102 59.5650 32.1640 179.0313 84 G 3.5056 8.0939 105.8376 47.6347 0.0000 175.2507 85 S 4.1866 8.1813 115.8274 61.5810 62.3416 176.5958 86 S 3.9462 8.6779 117.6007 61.5124 62.4808 176.5255 87 A 3.9754 8.1843 123.7546 55.2595 17.9301 179.7076 88 S 4.2377 8.0175 111.2723 60.6107 63.7985 176.2668 89 V 3.9000 7.6682 121.9532 62.0384 31.3164 177.4599 90 G 3.7965 7.7302 107.9163 46.4801 0.0000 173.7453 91 A 4.3759 7.9029 123.9983 50.2419 15.4990 178.3403 92 Q 3.4519 8.0379 126.1282 58.4440 29.6874 177.8263 93 K 3.8351 7.1189 117.7837 59.3425 32.0839 179.4807 94 V 3.6366 7.6661 117.9858 65.8571 31.5303 177.6732 95 K 3.9296 8.0891 119.3574 59.6857 31.7944 178.5978 96 F 4.5882 7.8933 116.7238 61.2246 39.1026 177.5589 97 T 4.2012 8.1859 115.2376 66.8121 68.0932 176.6431 98 C 4.4031 8.4051 118.8148 63.1877 27.9072 176.0467 99 M 4.2038 8.1235 119.5059 58.3982 31.6150 178.3225 100 Q 4.2686 7.8742 116.4201 57.9138 28.8276 177.7150 101 F 4.6289 8.2283 122.2362 60.9923 39.4977 177.2503 102 R 4.0990 8.2949 117.7371 59.4261 29.9305 178.2356 103 Q 3.9138 8.2050 118.6738 59.4712 28.8397 178.4914 104 F 4.3715 7.7664 117.6932 60.6885 38.9493 177.5380 105 C 4.3495 8.3021 116.0493 62.8850 27.9114 175.6203 106 Q 3.9495 7.7733 119.6309 59.2951 28.7598 177.7613 107 D 4.3176 8.5379 118.3407 54.4795 41.4274 176.1470 108 K 2.0000 7.0742 117.8184 56.8646 30.1200 176.2659 109 S 4.5605 7.5793 114.0346 56.4526 63.1414 174.0019 110 R 4.1848 8.9969 128.6387 60.0121 29.9933 177.9230 111 D 4.5179 8.2036 117.9447 56.8081 40.8095 178.9641 112 G 3.2809 8.0622 106.5898 47.7523 0.0000 175.3913 113 C 3.5185 8.0428 119.4305 62.5281 28.2161 176.3023 114 L 3.9172 7.7917 120.1959 58.1168 40.7649 179.5944 115 M 3.8971 7.6397 118.0667 58.1583 31.8768 178.6838 116 A 3.6726 7.3314 121.1873 54.8561 18.2893 179.4470 117 L 4.1242 7.8500 119.0257 58.1408 42.1389 178.9970 118 A 3.9058 7.9583 120.8921 55.0705 18.2031 179.8513 119 V 3.4902 7.4193 116.1702 65.9845 31.5965 178.2671 120 V 3.6312 7.7040 117.9497 66.1167 31.3509 177.7129 121 R 3.7653 8.2290 118.6159 59.7274 29.8331 178.2402 122 N 4.2468 8.1027 115.9646 56.3288 38.5655 177.3115 123 D 4.3746 8.3928 120.6051 57.1549 40.8987 178.6027 124 F 4.3899 8.7215 121.7110 61.5221 39.4094 176.6549 125 Y 3.9249 8.4673 116.8483 61.0938 37.7657 178.3080 126 D 4.2199 8.0335 118.6705 57.3025 41.3090 178.0257 127 L 3.5933 7.7503 120.7752 58.0295 42.0104 178.8967 128 R 3.8909 8.0570 119.0131 59.2308 29.8636 178.0521 129 N 4.2178 8.0641 116.4011 56.3370 38.5219 177.4113 130 K 3.8828 7.7039 119.2104 59.5785 32.1353 179.4217 131 F 4.5574 8.2185 118.3159 60.8870 38.8218 177.8446 132 Q 4.0664 8.4504 117.7550 59.0722 28.4014 178.7153 133 T 3.8753 8.1167 116.9693 66.7540 68.4523 176.1578 134 M 4.0572 8.2864 120.0466 58.8087 32.3159 178.2861 135 L 3.9987 8.1149 119.0544 57.6936 41.7050 179.1279 136 Q 3.9670 8.1463 119.4765 59.3607 28.9097 178.4940 137 L 3.9921 8.1539 119.9547 57.9851 41.4464 179.4512 138 E 3.9860 8.1947 117.3803 59.2957 29.7938 178.8426 139 Q 4.1044 8.2451 119.5674 59.4945 28.9520 178.2779 140 Q 4.0375 8.0659 117.7614 59.3131 28.9239 179.1476 141 I 3.8728 7.9475 119.1927 63.3281 37.1355 176.7442 142 Q 4.3481 7.7031 123.0989 55.9347 28.9197 175.1530 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 A 8.12 4.28 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 4 A 8.75 3.78 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 5 A 8.77 3.93 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 6 L 7.86 3.93 0.00 1.86 1.74 0.93 1.03 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 7 R 8.18 3.98 0.00 1.92 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 8 D 8.43 4.37 0.00 2.90 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 9 Q 8.22 4.00 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 10 L 8.39 3.96 0.00 1.75 1.84 1.00 0.87 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 11 T 8.49 3.89 4.30 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 1.24 0.00 0.00 12 A 8.30 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 13 L 8.08 3.87 0.00 1.92 1.89 0.90 0.60 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 14 L 8.20 4.08 0.00 1.88 2.01 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.32 4.20 0.00 3.94 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 16 S 8.20 4.12 0.00 4.04 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 17 M 8.24 3.98 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.36 0.00 18 F 8.57 4.32 0.00 3.34 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 19 S 8.49 4.25 0.00 4.01 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 0.00 20 Q 8.17 4.31 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 21 G 8.11 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 22 L 7.85 4.10 0.00 1.70 1.37 0.83 0.69 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 23 V 7.29 5.04 1.60 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 -0.01 0.00 0.00 -0.33 0.00 0.00 24 D 7.96 5.29 0.00 2.92 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 25 E 8.99 4.23 0.00 2.26 2.37 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 2.43 2.41 0.00 26 Q 8.67 4.08 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 27 F 8.51 4.38 0.00 3.25 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.27 4.29 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 29 Q 8.55 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 30 L 7.58 3.95 0.00 1.84 1.56 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.91 3.92 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.42 0.00 0.00 0.00 0.00 0.00 2.10 1.80 0.00 32 M 7.53 4.16 0.00 2.03 2.16 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 2.63 2.50 0.00 33 L 8.48 3.85 0.00 1.94 1.79 0.89 -0.01 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 34 Q 7.72 4.04 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 35 D 7.70 4.56 0.00 2.83 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 *40 P 0.00 4.42 0.00 2.22 2.24 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 41 G 7.87 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 42 F 8.25 4.26 0.00 3.06 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 43 V 7.74 3.26 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 1.03 0.00 0.00 0.88 0.00 0.00 44 S 7.94 4.00 0.00 3.91 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 45 E 8.29 3.94 0.00 2.06 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 2.54 2.47 0.00 46 V 7.68 3.36 1.79 0.00 0.00 0.00 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 -0.10 0.00 0.00 47 V 7.79 3.39 1.88 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 0.35 0.00 0.00 0.35 0.00 0.00 48 T 7.87 3.89 4.22 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 1.21 0.00 0.00 49 L 8.04 3.97 0.00 1.84 1.72 0.91 0.84 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 50 F 8.56 4.14 0.00 3.13 3.30 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 51 C 8.29 4.29 0.00 3.27 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 52 D 8.25 4.35 0.00 2.80 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 53 D 8.26 4.25 0.00 2.66 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 54 A 7.75 3.49 -0.08 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 0.00 0.00 55 D 7.65 4.19 0.00 3.12 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 56 R 7.66 3.88 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 57 I 7.87 3.78 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.48 0.93 0.00 0.00 58 I 7.81 3.66 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.92 0.00 0.00 59 N 8.12 4.36 0.00 2.90 2.87 0.00 0.00 7.11 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 60 E 8.62 3.91 0.00 2.14 1.83 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 2.32 2.62 0.00 61 I 8.15 3.46 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.93 0.00 0.00 62 A 7.86 3.99 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 63 T 7.76 4.15 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 1.15 0.00 0.00 64 L 7.88 3.85 0.00 1.67 1.51 0.37 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.70 4.19 0.00 1.77 1.68 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 4.33 0.00 2.12 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 2.24 2.38 0.00 67 Q 7.08 4.26 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 68 P 0.00 4.32 0.00 2.02 2.13 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 69 V 7.44 4.30 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 0.82 0.00 0.00 0.94 0.00 0.00 70 V 8.19 3.48 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 0.00 0.00 -0.15 0.00 0.00 0.72 0.00 0.00 71 N 8.23 4.57 0.00 2.73 2.61 0.00 0.00 7.24 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 72 F 8.51 4.23 0.00 3.19 3.16 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 73 D 8.34 4.43 0.00 2.91 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 74 K 8.32 4.06 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.71 7.81 75 V 7.86 3.49 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 1.03 0.00 0.00 0.85 0.00 0.00 76 D 8.45 4.35 0.00 3.04 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 77 A 8.28 3.98 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 78 Y 8.44 3.76 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 79 V 7.88 3.41 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 0.91 0.00 0.00 -0.24 0.00 0.00 80 H 8.45 4.14 0.00 3.29 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.03 3.86 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 82 L 7.96 3.96 0.00 1.75 1.76 0.84 0.28 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 83 K 8.44 3.99 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 84 G 8.09 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.18 4.19 0.00 4.13 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 0.00 86 S 8.68 3.95 0.00 4.09 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 87 A 8.18 3.98 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 88 S 8.02 4.24 0.00 4.06 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 89 V 7.67 3.90 1.66 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 -0.10 0.00 0.00 0.71 0.00 0.00 90 G 7.73 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 91 A 7.90 4.38 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 92 Q 8.04 3.45 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 93 K 7.12 3.84 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.43 7.81 94 V 7.67 3.64 2.34 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 1.17 0.00 0.00 1.13 0.00 0.00 95 K 8.09 3.93 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 96 F 7.89 4.59 0.00 3.23 2.99 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 97 T 8.19 4.20 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 1.35 0.00 0.00 98 C 8.41 4.40 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 M 8.12 4.20 0.00 2.10 2.45 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.68 0.00 100 Q 7.87 4.27 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 101 F 8.23 4.63 0.00 3.41 3.07 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 0.00 102 R 8.29 4.10 0.00 1.97 2.04 0.00 3.27 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 1.94 1.79 0.00 103 Q 8.21 3.91 0.00 2.02 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 104 F 7.77 4.37 0.00 3.42 3.06 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 0.00 0.00 0.00 105 C 8.30 4.35 0.00 3.31 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 0.00 106 Q 7.77 3.95 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 107 D 8.54 4.32 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.07 2.00 0.00 1.59 1.28 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.98 1.27 7.81 109 S 7.58 4.56 0.00 3.88 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 0.00 110 R 9.00 4.18 0.00 2.11 2.02 0.00 3.25 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 111 D 8.20 4.52 0.00 2.73 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 0.00 112 G 8.06 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.04 3.52 0.00 3.31 3.24 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 0.00 114 L 7.79 3.92 0.00 1.83 1.63 0.89 0.80 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 0.00 115 M 7.64 3.90 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 116 A 7.33 3.67 0.15 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 0.00 0.00 117 L 7.85 4.12 0.00 2.02 1.83 1.07 1.15 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 0.00 118 A 7.96 3.91 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 0.00 119 V 7.42 3.49 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 1.13 0.00 0.00 nan 0.00 0.00 120 V 7.70 3.63 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 1.06 0.00 0.00 1.20 0.00 0.00 121 R 8.23 3.77 0.00 1.84 1.87 0.00 2.93 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 122 N 8.10 4.25 0.00 2.74 2.81 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 0.00 123 D 8.39 4.37 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.72 4.39 0.00 3.13 3.36 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 0.00 125 Y 8.47 3.92 0.00 3.03 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 0.00 126 D 8.03 4.22 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.75 3.59 0.00 1.63 1.69 -0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.06 3.89 0.00 1.17 1.54 0.00 3.07 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 129 N 8.06 4.22 0.00 2.87 2.79 0.00 0.00 7.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.70 3.88 0.00 1.74 1.59 0.00 1.48 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.42 7.81 131 F 8.22 4.56 0.00 3.23 2.95 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 0.00 132 Q 8.45 4.07 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 133 T 8.12 3.88 4.39 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 1.22 0.00 0.00 134 M 8.29 4.06 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 135 L 8.11 4.00 0.00 1.76 1.71 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.15 3.97 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 137 L 8.15 3.99 0.00 1.90 1.74 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.19 3.99 0.00 2.09 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 2.39 2.53 0.00 139 Q 8.25 4.10 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 140 Q 8.07 4.04 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 141 I 7.95 3.87 2.06 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 1.54 0.57 0.93 0.00 0.00 142 Q 7.70 4.35 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.