NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.7025 8.3493 120.2181 54.3454 41.2394 173.9378 4 Y 4.9880 8.0114 121.3531 54.9052 41.8124 172.8607 5 T 4.6435 8.9416 117.2120 61.9023 72.1500 174.9308 6 V 4.5993 9.1456 126.9077 61.8918 33.4148 174.1533 7 H 5.4670 9.4642 126.6000 54.7454 30.0148 174.8791 8 I 4.6563 8.3141 124.2479 59.6343 39.8473 175.8614 9 V 4.4450 7.9126 123.9282 62.5088 33.0204 172.8574 10 D 5.2667 8.1593 127.6510 51.2786 44.8432 175.2706 11 D 4.7974 8.7392 121.1138 54.5779 41.0237 175.9761 12 E 4.7290 7.8946 120.2490 54.6179 32.1667 176.5873 *13 E 4.1196 8.9336 119.9688 56.1241 31.0835 175.6984 *14 P 3.3202 0.0000 0.0000 63.1191 30.8734 174.1043 *15 V 3.5329 8.7019 124.4135 60.3974 31.2674 174.8927 16 R 3.8456 8.7999 128.7047 58.5167 29.9803 177.0549 *17 K 4.5243 7.1920 117.8563 50.9426 32.0968 177.5521 18 S 4.2789 8.4912 111.9333 58.0558 64.8260 174.6508 19 L 3.5259 8.1908 129.0564 56.0679 43.0546 175.6823 20 A 4.0288 7.9913 117.5751 55.6854 18.6145 179.4989 21 F 4.6123 8.2606 116.8704 61.4014 39.7044 176.7493 22 M 3.9756 7.9974 117.6749 58.6086 32.3442 177.6405 23 L 3.7960 7.9724 119.1265 58.4009 41.7053 179.6092 24 T 4.3644 8.1071 113.7915 64.4224 67.1084 176.3730 25 M 4.0639 7.7816 119.7500 56.9857 32.0323 176.9138 26 N 5.0964 8.0546 116.2029 52.8364 40.4204 174.7251 27 G 3.9520 7.6334 105.1494 46.5761 0.0000 173.9429 28 F 4.4216 7.9878 117.1488 55.2978 41.5056 175.6026 29 A 4.3558 8.3300 124.5811 51.6798 18.8564 176.0764 30 V 4.7825 8.3018 121.1471 61.8605 34.2836 175.1848 31 K 4.4972 8.8522 127.7867 54.9936 34.8767 175.2340 32 M 4.8097 8.7088 127.4011 55.6070 33.1514 174.9109 33 H 4.8279 8.4515 118.2446 54.2232 32.7788 174.7445 34 Q 4.1979 9.0643 122.5254 59.3591 29.0184 177.1084 35 S 4.5307 7.9252 108.3318 55.8875 66.3317 175.5790 36 A 4.0829 8.4882 126.3899 55.6908 17.9515 179.5747 37 E 3.8545 8.3133 116.6260 59.2460 29.4842 178.7064 38 A 4.0318 7.8533 119.6076 55.2001 18.8521 178.9472 39 F 4.2432 8.4586 119.1971 61.4153 39.2598 177.2339 40 L 3.9938 8.6210 117.8813 56.5612 42.7794 178.5265 41 A 4.5747 7.5042 121.5242 48.5080 16.2660 175.4315 42 F 5.0060 7.5067 135.0000 58.3094 41.7141 175.3436 43 A 3.3432 7.2083 124.2155 54.5860 18.0757 177.8968 44 P 4.1812 0.0000 0.0000 65.2295 31.4841 176.7436 45 D 4.5564 7.6653 117.1844 53.8243 40.6934 175.8991 46 V 4.0316 7.2077 121.9776 61.8541 32.6539 176.1813 *47 R 4.5018 7.9404 124.1093 55.4886 33.4723 172.7604 48 N 4.3076 9.0386 120.1808 53.4480 35.5535 172.8431 49 G 4.7280 7.6800 103.2346 44.6263 0.0000 171.8694 50 V 4.6938 9.1550 120.0668 60.7422 34.8969 173.8685 51 L 4.9163 8.5101 128.8193 53.3364 44.0768 175.0701 52 V 4.6432 8.7544 126.9130 60.4073 33.6121 174.8115 53 T 4.5562 7.9572 128.0164 62.4926 71.3102 176.4358 54 D 5.1343 9.5442 119.4396 54.5909 39.5985 173.2529 55 L 4.7911 8.0353 126.1516 53.4939 44.8866 177.1927 56 R 4.0469 8.4617 124.0740 58.3855 29.7731 172.8518 57 M 3.9832 8.0408 113.5167 54.9885 31.2208 175.7791 58 P 4.3218 0.0000 0.0000 65.5028 31.8989 177.8699 59 D 4.5239 8.2975 117.9388 56.0215 39.6758 182.1271 60 M 4.6801 7.4109 120.4481 53.1322 32.0374 174.7582 61 S 4.5668 9.0139 119.4093 56.6861 64.7943 176.4205 62 G 3.6798 8.4087 106.8366 46.9757 0.0000 176.1078 63 V 3.6523 7.3513 120.7711 65.9979 31.4585 177.7877 64 E 4.0720 7.9966 118.0894 58.9903 28.8901 178.8976 65 L 4.0110 7.9019 119.9881 57.7597 42.2711 178.6705 66 L 4.2069 7.9278 121.6855 57.8489 41.5182 179.9395 67 R 3.9697 7.9659 120.7255 61.6951 29.1461 181.4238 68 N 4.6118 8.2414 116.3669 55.8838 38.6773 177.3596 69 L 4.2974 7.8731 120.1573 57.4425 41.5419 179.5813 70 G 3.6924 8.1428 105.7159 47.1957 0.0000 174.2431 71 D 4.8775 7.3960 119.6280 54.2911 41.4562 177.0735 72 L 4.5395 7.4992 119.0675 53.6985 45.2738 176.6038 73 K 3.8228 7.5436 119.5392 55.4098 28.7824 180.4591 74 I 4.4873 7.8272 123.8425 60.4080 39.6736 178.1692 75 N 4.6701 8.4942 123.8602 50.5853 35.9729 170.3886 76 I 4.4431 7.4570 120.8781 58.0105 39.2487 173.7705 77 P 4.4245 0.0000 0.0000 63.2626 32.0188 175.5518 78 S 5.2589 8.7390 119.0327 56.5659 66.6862 173.2745 79 I 4.3530 8.5497 122.2958 59.5222 38.9534 174.2648 80 V 4.4075 8.1649 126.3768 60.9996 30.7852 174.3641 81 I 4.0692 8.1830 127.4448 61.6270 37.5069 175.4990 82 T 4.5908 8.9986 117.5279 59.8987 72.2467 173.4096 83 G 4.0147 8.3249 107.7972 44.8042 0.0000 173.0151 84 H 4.4962 8.9245 121.0512 57.5206 29.9593 175.1449 85 G 3.7823 8.4462 115.6691 46.9479 0.0000 173.4404 86 D 4.6426 7.8695 120.3776 52.5275 41.9667 176.0587 87 V 3.4944 7.9498 126.3256 65.0974 32.0116 175.6124 88 P 4.2005 0.0000 0.0000 65.7986 31.0478 178.3350 89 M 3.9188 8.0240 116.0789 58.7046 32.1787 178.1037 90 A 3.7727 7.0383 117.2909 54.4612 18.1708 179.1567 91 V 3.7307 7.4276 116.8990 65.5994 31.5794 178.0331 92 E 3.8051 8.3230 118.4263 59.0854 29.2679 179.1306 93 A 4.0143 8.2010 121.2464 55.3237 18.2655 179.3410 94 M 4.2338 7.4960 115.2621 57.1409 32.2249 177.7289 95 K 4.3507 7.4983 117.9845 56.4429 32.5854 176.2841 96 A 4.5978 7.8181 120.3012 52.6182 19.1889 177.6036 97 G 3.9332 8.4138 107.2104 46.1574 0.0000 174.5856 98 A 4.0491 7.6314 122.7236 52.2979 18.7788 178.0386 99 V 3.6973 8.1000 122.5953 65.6853 32.0030 174.7281 100 D 4.6597 7.5115 116.3433 54.4493 43.8482 173.5282 101 F 5.0382 8.1006 111.9056 56.7622 41.2601 174.1509 102 I 4.2416 8.2887 119.5138 60.2647 40.2781 174.0079 103 E 4.5518 8.9721 129.1027 55.5226 30.1911 176.4247 104 K 4.6446 8.4020 126.1450 55.2281 33.5675 175.2912 105 P 4.5387 0.0000 0.0000 62.4357 32.4992 175.2989 106 F 4.8826 7.4569 112.1535 55.0242 39.7048 173.6779 107 E 4.6741 8.4943 120.3893 54.9733 33.1785 176.0626 108 D 4.4012 8.8646 117.3590 58.6118 40.7712 180.1991 109 T 3.7621 7.4966 114.5457 66.6681 68.8379 176.1723 110 V 3.5347 7.8177 119.0707 65.9943 31.6786 178.1130 111 I 3.4226 7.4353 117.6719 63.8853 37.5489 177.8834 112 I 3.4201 7.7608 120.0242 64.5978 37.2921 177.3799 113 E 4.0900 8.3617 119.7497 59.5171 29.2414 178.3793 114 A 3.9402 8.2942 120.2840 55.6669 18.4552 179.7738 115 I 3.6996 7.7078 117.8666 64.5572 36.9339 178.5468 116 E 4.1866 8.0109 119.9597 58.9068 29.3900 179.3010 117 R 4.5937 8.1980 117.4288 57.8463 30.5088 178.0235 118 A 4.2187 7.6203 121.3454 54.2131 18.8373 179.0228 119 S 4.1208 7.9088 109.5828 59.3262 62.7407 175.8181 120 E 4.1202 7.9927 123.6380 59.6668 29.8107 178.6001 121 H 4.3444 8.4152 109.7812 56.7127 30.0260 174.9428 122 L 4.1435 8.7036 123.6348 55.4551 40.2421 176.8643 123 V 3.7981 9.1205 110.1631 61.8935 31.4372 175.8050 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 D 8.35 4.70 0.00 2.67 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 4 Y 8.01 4.99 0.00 3.22 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.94 4.64 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 1.20 0.00 0.00 6 V 9.15 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 0.93 0.00 0.00 0.99 0.00 0.00 7 H 9.46 5.47 0.00 3.09 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.31 4.66 1.91 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 1.08 1.68 0.92 0.00 0.00 9 V 7.91 4.45 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 0.73 0.00 0.00 0.61 0.00 0.00 10 D 8.16 5.27 0.00 2.76 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 11 D 8.74 4.80 0.00 2.68 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 12 E 7.89 4.73 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 *13 E 8.93 4.12 0.00 1.98 1.75 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 2.23 1.88 0.00 *14 P 0.00 3.32 0.00 2.09 1.74 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 *15 V 8.70 3.53 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 0.64 0.00 0.00 0.93 0.00 0.00 16 R 8.80 3.85 0.00 1.73 2.06 0.00 3.43 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 *17 K 7.19 4.52 0.00 1.76 1.54 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.20 7.81 18 S 8.49 4.28 0.00 3.78 3.75 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 19 L 8.19 3.53 0.00 1.97 1.57 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.99 4.03 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 21 F 8.26 4.61 0.00 2.97 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 22 M 8.00 3.98 0.00 2.22 2.02 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 2.77 2.52 0.00 23 L 7.97 3.80 0.00 1.86 1.62 0.77 -0.15 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 24 T 8.11 4.36 4.35 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 1.51 0.00 0.00 25 M 7.78 4.06 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.02 0.00 26 N 8.05 5.10 0.00 2.98 3.08 0.00 0.00 6.89 7.65 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 27 G 7.63 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 28 F 7.99 4.42 0.00 3.20 2.91 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 29 A 8.33 4.36 1.18 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 0.00 0.00 30 V 8.30 4.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 31 K 8.85 4.50 0.00 1.94 1.80 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.53 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.65 1.36 7.81 32 M 8.71 4.81 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 33 H 8.45 4.83 0.00 3.15 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.06 4.20 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 35 S 7.93 4.53 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.49 4.08 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 37 E 8.31 3.85 0.00 2.13 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 2.47 0.00 38 A 7.85 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 39 F 8.46 4.24 0.00 3.15 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 40 L 8.62 3.99 0.00 1.87 1.76 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.50 4.57 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 42 F 7.51 5.01 0.00 3.05 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 43 A 7.21 3.34 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.18 0.00 1.94 2.05 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 45 D 7.67 4.56 0.00 2.23 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 0.00 0.00 0.00 0.00 46 V 7.21 4.03 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 0.83 0.00 0.00 0.47 0.00 0.00 *47 R 7.94 4.50 0.00 1.81 1.63 0.00 3.47 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 48 N 9.04 4.31 0.00 3.05 2.98 0.00 0.00 6.76 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.68 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 9.16 4.69 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 1.03 0.00 0.00 1.29 0.00 0.00 51 L 8.51 4.92 0.00 1.75 1.46 0.30 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.75 4.64 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 0.91 0.00 0.00 0.87 0.00 0.00 53 T 7.96 4.56 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 1.11 0.00 0.00 54 D 9.54 5.13 0.00 2.83 3.19 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 0.00 55 L 8.04 4.79 0.00 1.62 1.69 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.46 4.05 0.00 1.83 1.78 0.00 3.30 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 57 M 8.04 3.98 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 58 P 0.00 4.32 0.00 2.20 2.23 0.00 3.78 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 1.99 1.96 0.00 59 D 8.30 4.52 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.41 4.68 0.00 1.94 1.96 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 2.52 2.60 0.00 61 S 9.01 4.57 0.00 4.06 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 62 G 8.41 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.35 3.65 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 1.02 0.00 0.00 0.92 0.00 0.00 64 E 8.00 4.07 0.00 2.21 1.99 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 2.33 2.32 0.00 65 L 7.90 4.01 0.00 1.78 1.84 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.93 4.21 0.00 1.87 1.70 0.96 1.02 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 67 R 7.97 3.97 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 68 N 8.24 4.61 0.00 2.70 2.94 0.00 0.00 7.13 8.12 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 69 L 7.87 4.30 0.00 1.88 1.78 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.14 3.69 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 0.00 0.00 0.00 71 D 7.40 4.88 0.00 2.78 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 72 L 7.50 4.54 0.00 1.73 1.61 1.02 0.89 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 73 K 7.54 3.82 0.00 1.90 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.26 7.81 74 I 7.83 4.49 1.90 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 1.14 1.17 0.93 0.00 0.00 75 N 8.49 4.67 0.00 2.74 2.63 0.00 0.00 6.63 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.46 4.44 1.97 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 1.57 1.16 1.02 0.00 0.00 77 P 0.00 4.42 0.00 2.09 2.22 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 78 S 8.74 5.26 0.00 3.86 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 79 I 8.55 4.35 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.45 0.79 0.00 0.00 80 V 8.16 4.41 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 1.15 0.00 0.00 0.93 0.00 0.00 81 I 8.18 4.07 1.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 1.05 0.00 0.00 82 T 9.00 4.59 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 1.24 0.00 0.00 83 G 8.32 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 0.00 0.00 0.00 84 H 8.92 4.50 0.00 3.23 3.25 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.64 0.00 2.81 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 87 V 7.95 3.49 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 0.96 0.00 0.00 0.89 0.00 0.00 88 P 0.00 4.20 0.00 2.16 2.07 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 89 M 8.02 3.92 0.00 2.41 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 90 A 7.04 3.77 0.64 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 91 V 7.43 3.73 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 1.00 0.00 0.00 0.91 0.00 0.00 92 E 8.32 3.81 0.00 2.25 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 2.40 2.45 0.00 93 A 8.20 4.01 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 94 M 7.50 4.23 0.00 1.88 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.96 0.00 95 K 7.50 4.35 0.00 1.86 1.98 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 96 A 7.82 4.60 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 97 G 8.41 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.63 4.05 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 99 V 8.10 3.70 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 0.56 0.00 0.00 0.85 0.00 0.00 100 D 7.51 4.66 0.00 2.56 2.40 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 0.00 101 F 8.10 5.04 0.00 2.94 2.97 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 0.00 102 I 8.29 4.24 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.35 0.63 0.00 0.00 103 E 8.97 4.55 0.00 2.19 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 2.34 2.31 0.00 104 K 8.40 4.64 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.85 1.87 7.81 105 P 0.00 4.54 0.00 1.99 1.90 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 106 F 7.46 4.88 0.00 3.05 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 0.00 107 E 8.49 4.67 0.00 2.17 2.11 0.00 0.00 0.00 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 2.33 0.00 108 D 8.86 4.40 0.00 2.72 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 0.00 109 T 7.50 3.76 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 0.00 110 V 7.82 3.53 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 0.91 0.00 0.00 0.95 0.00 0.00 111 I 7.44 3.42 1.36 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.78 0.96 0.00 0.00 112 I 7.76 3.42 2.01 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 1.18 0.70 1.07 0.00 0.00 113 E 8.36 4.09 0.00 2.10 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 0.00 2.29 2.35 0.00 114 A 8.29 3.94 1.24 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 0.00 115 I 7.71 3.70 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 1.17 0.00 0.00 116 E 8.01 4.19 0.00 2.20 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 2.52 2.57 0.00 117 R 8.20 4.59 0.00 1.88 1.97 0.00 3.23 0.00 0.00 4.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 118 A 7.62 4.22 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 0.00 119 S 7.91 4.12 0.00 3.23 3.93 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 0.00 0.00 0.00 120 E 7.99 4.12 0.00 2.29 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 0.00 2.26 2.45 0.00 121 H 8.42 4.34 0.00 3.19 3.35 0.00 5.88 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.70 4.14 0.00 1.50 1.24 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.12 3.80 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 0.70 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.