NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.6467 0.0000 0.0000 62.4077 33.3403 174.8417 13 I 4.7245 8.8258 125.8622 58.9199 40.8502 173.1030 14 I 4.7247 9.2297 127.9748 59.6370 40.6226 173.9080 15 Y 5.2025 8.2632 125.4224 57.4228 38.9422 174.7441 16 L 4.8270 9.2256 126.8353 53.2852 44.7366 174.9954 17 V 4.8986 8.6242 127.1315 61.5641 33.5597 173.9223 18 D 4.9620 8.8187 127.4134 53.6438 44.6216 175.6572 19 H 4.7146 9.1248 120.3315 56.2932 29.4518 175.6419 20 Q 4.2180 8.8132 121.7952 54.6580 29.2349 176.1262 21 K 3.8721 8.6461 125.6726 59.8653 32.1883 178.8475 22 D 4.3636 8.1470 118.0827 57.2005 40.7329 178.6356 23 A 3.9924 7.8897 120.6562 55.3680 18.5270 179.6136 24 R 3.8629 8.0005 116.3038 59.3519 30.0925 179.1255 25 A 3.8963 8.1725 120.1604 55.1272 18.4928 179.3989 26 A 3.9494 8.6698 119.2999 55.3465 18.6109 179.6510 27 L 3.9892 8.5515 119.0662 58.3629 42.2572 179.3308 28 S 4.1311 8.0822 115.1749 61.4212 62.5256 176.8425 29 K 3.9466 7.8225 120.0762 59.5198 31.9548 178.8404 30 L 4.1045 7.8268 119.0362 57.5564 42.2977 178.0292 31 L 4.5135 7.8309 116.8889 54.5392 41.9973 178.4439 32 S 4.1093 7.7985 114.2008 60.9213 62.8207 173.8963 33 P 4.5501 0.0000 0.0000 62.7063 30.8371 175.5427 34 L 4.6455 7.5372 118.5034 53.4986 43.9984 176.7979 35 D 4.6741 8.2929 121.1999 52.0787 39.4301 175.4380 36 V 4.4578 6.9273 117.8399 61.2325 34.5575 173.7182 37 T 4.4115 8.5958 119.6850 62.3518 70.3253 174.0380 38 I 4.5609 8.3561 128.0617 60.0805 37.7815 174.5943 39 Q 4.3593 8.5838 129.4127 55.1313 30.1049 174.4235 40 C 5.3043 8.3872 123.7809 58.4428 31.0236 173.2217 41 F 4.9188 9.1007 118.9414 56.1098 42.9411 175.4993 42 A 4.5160 9.2886 124.0877 52.3245 19.2386 176.6025 43 S 4.6166 7.5138 108.9472 57.0758 65.5451 175.9382 44 A 4.0199 8.6218 124.0492 55.2680 18.4674 178.7432 45 E 4.0493 8.3446 115.5055 59.4834 29.9174 177.9414 46 S 4.2512 8.1347 111.9859 61.3502 62.7475 176.5488 47 F 3.1069 7.9370 124.2985 57.4238 37.8282 176.3565 *49 R 4.0993 7.9287 117.5655 55.2018 31.9785 175.6897 50 Q 3.8699 7.1502 120.2812 54.7943 29.4757 175.0159 51 Q 3.9054 8.3322 126.5820 55.1175 28.5488 175.2503 52 I 3.5609 7.9955 126.9972 61.6249 37.6556 176.3786 53 S 4.4328 9.3676 121.1158 58.1214 62.8245 174.6046 54 D 4.6446 8.6549 124.5348 56.2214 41.0841 176.7931 55 D 4.6573 8.2183 118.6034 53.8573 41.3185 175.7941 56 A 4.5437 7.6543 123.7970 51.6642 18.9141 177.6146 57 I 4.4610 8.2604 115.8370 60.9659 40.3445 175.9460 58 G 3.8721 7.3172 107.7685 46.6547 0.0000 171.7010 *60 I 4.5037 8.2593 121.3177 61.3479 39.1135 175.0421 61 I 4.9505 8.4309 127.0580 59.2233 41.5512 174.2789 62 E 4.2338 8.9866 128.1452 55.8283 30.1042 177.2862 63 A 3.9188 8.7775 128.8481 53.9195 19.7520 177.0386 64 H 5.0504 8.5941 112.2864 53.8767 28.7933 173.9194 65 L 4.1607 7.7823 119.7128 56.6206 42.4124 178.1176 66 E 3.6484 8.8780 121.0369 57.2734 27.0931 174.5563 67 D 4.3821 7.8918 114.3062 54.7246 40.4548 173.7253 68 K 4.2693 7.9610 118.3269 54.2730 31.6764 176.0306 69 K 3.8694 8.5791 124.9737 58.2689 32.3887 176.1480 70 D 4.6178 9.5371 123.3495 55.0693 39.0623 175.5934 71 S 4.2431 8.2651 116.6410 61.4215 62.7236 176.8335 72 G 3.9965 8.3048 111.1666 47.2256 0.0000 175.8896 73 I 3.7902 7.6945 121.7885 63.9652 37.1456 177.8889 74 E 4.2147 8.3676 121.7496 58.5405 29.4488 178.5337 75 L 3.9237 7.8507 120.3655 58.1006 42.1026 178.6730 76 L 3.9301 7.7954 120.0953 58.3173 41.5959 178.7186 77 E 3.9761 8.5978 118.8331 59.7277 29.3729 179.5516 78 T 3.9389 8.3423 116.0377 66.7294 68.5557 176.7117 79 L 4.1806 8.0797 120.8631 57.9193 41.7132 179.8366 80 V 3.7696 8.0413 119.6560 65.2593 31.2082 178.0465 81 K 4.0751 8.0275 118.8182 59.0232 32.0171 177.9296 82 R 4.4441 7.7243 116.6712 55.8608 30.2598 177.5887 83 G 3.8220 7.8458 106.3799 45.4106 0.0000 174.1199 84 F 4.5115 8.1460 120.0564 57.2454 38.9604 174.4749 85 H 5.0696 8.8082 123.9761 53.2908 28.6370 171.9145 86 L 4.7894 7.9044 121.3484 51.5192 43.8539 174.9371 87 P 4.2714 0.0000 0.0000 63.6158 31.9447 175.0680 88 T 4.8081 8.4773 119.0640 61.7210 72.0790 172.8212 89 I 4.6337 8.2691 126.7150 59.9892 39.2380 175.6527 90 V 5.0065 8.7263 127.4690 60.5603 34.3463 174.0923 *92 A 4.6818 8.2192 123.0136 51.9030 19.6035 177.5459 93 S 5.0542 8.7838 113.8838 57.7881 64.0804 174.1902 94 S 4.6225 7.5630 115.4688 56.9972 65.1153 172.7110 95 S 4.6323 8.4500 118.7666 56.4512 64.9476 174.3685 96 D 4.9621 8.2072 126.7578 51.3975 43.0752 177.4687 97 I 3.6182 8.0350 119.4872 64.1755 36.9758 176.7916 98 P 4.2160 0.0000 0.0000 65.8565 31.0966 178.7715 99 T 3.8426 8.4173 114.4119 66.4708 68.1536 176.5060 100 A 2.7953 7.0706 121.3816 54.7707 18.3893 179.5362 101 V 3.5779 7.4463 115.4504 66.1149 32.0068 177.8295 102 R 4.0498 8.3428 118.6497 59.1965 29.9424 178.6493 103 A 4.0220 7.8893 116.8152 53.2006 18.3063 179.1257 *105 R 4.1703 8.0305 120.7396 57.4206 32.0565 176.8503 106 A 4.3362 7.7786 119.0904 51.9749 18.4203 177.8775 107 S 4.0789 7.7990 108.8442 58.7686 61.9686 169.8133 108 A 4.1147 7.6459 122.7998 53.1155 18.4880 178.4253 109 A 4.2584 8.9864 124.4002 54.9636 19.1342 177.1270 110 D 4.6322 7.7142 112.3365 53.5012 44.9778 174.0901 111 F 5.0993 8.8184 124.2915 56.4231 41.8713 173.8653 112 I 4.5512 8.2496 127.3461 59.3896 39.1902 175.5166 113 E 4.4635 8.9590 126.6615 56.1472 30.7302 176.2031 114 K 5.0755 9.0539 122.6301 53.5734 35.3620 174.2636 115 P 4.5668 0.0000 0.0000 63.0303 31.6420 175.6831 116 F 4.9029 8.4013 115.8291 55.0204 40.6895 174.6819 117 I 4.1159 8.0606 121.8298 59.8383 37.8988 176.7337 118 E 4.1826 8.8050 125.2188 60.0482 29.1100 178.9892 119 H 4.5007 8.2434 115.3236 58.0632 28.5304 177.7654 120 V 3.4860 7.4664 120.9735 65.7546 31.4438 177.7026 121 L 3.8807 7.9652 119.5197 58.1748 41.9867 178.6837 122 V 3.6060 8.3017 118.5649 66.3541 31.4127 177.3719 123 H 4.0688 8.6163 118.0931 59.4905 29.6250 176.8329 124 D 4.3947 8.3327 120.7544 57.4561 40.5587 179.1613 125 V 3.5511 7.9267 118.6506 65.9610 31.5540 177.8098 126 Q 3.9017 8.2618 119.5463 59.1750 28.7999 178.0556 127 Q 3.9193 8.1168 120.5443 59.3253 29.1239 178.4727 128 I 3.7488 7.4811 120.5898 64.2468 37.0374 178.4564 129 I 3.6731 7.8649 120.8069 64.5010 36.7626 178.2916 130 N 4.4177 8.3816 116.2754 56.3512 38.5414 177.6965 131 G 3.7174 8.3450 105.5627 47.1199 0.0000 175.2917 132 A 4.1960 7.5084 122.4387 54.6704 18.7178 177.9368 133 K 4.2311 7.6867 120.2083 57.3662 33.1225 176.6626 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 12 P 0.00 4.65 0.00 2.06 2.03 0.00 3.48 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 13 I 8.83 4.72 1.56 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 1.17 0.91 0.65 0.00 0.00 14 I 9.23 4.72 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.87 0.00 0.00 15 Y 8.26 5.20 0.00 2.93 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 16 L 9.23 4.83 0.00 1.72 1.53 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.62 4.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.54 0.00 0.00 18 D 8.82 4.96 0.00 2.70 2.42 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 19 H 9.12 4.71 0.00 3.34 3.49 0.00 5.18 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 20 Q 8.81 4.22 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.79 0.00 0.00 0.00 0.00 0.00 2.01 2.44 0.00 21 K 8.65 3.87 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 22 D 8.15 4.36 0.00 2.68 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 23 A 7.89 3.99 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 24 R 8.00 3.86 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 25 A 8.17 3.90 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 26 A 8.67 3.95 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 27 L 8.55 3.99 0.00 1.94 1.64 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.08 4.13 0.00 4.11 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 29 K 7.82 3.95 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 30 L 7.83 4.10 0.00 1.71 1.93 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.83 4.51 0.00 1.75 1.66 0.88 0.70 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 32 S 7.80 4.11 0.00 4.01 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 0.00 33 P 0.00 4.55 0.00 2.20 2.18 0.00 3.74 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 1.99 1.99 0.00 34 L 7.54 4.65 0.00 1.91 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.29 4.67 0.00 2.61 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 36 V 6.93 4.46 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 0.65 0.00 0.00 0.92 0.00 0.00 37 T 8.60 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 38 I 8.36 4.56 1.85 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 1.21 0.78 0.89 0.00 0.00 39 Q 8.58 4.36 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 40 C 8.39 5.30 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.10 4.92 0.00 2.98 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 42 A 9.29 4.52 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 43 S 7.51 4.62 0.00 4.00 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 44 A 8.62 4.02 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 45 E 8.34 4.05 0.00 1.94 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 2.29 2.29 0.00 46 S 8.13 4.25 0.00 3.97 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 0.00 47 F 7.94 3.11 0.00 2.76 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 *49 R 7.93 4.10 0.00 1.93 1.92 0.00 3.23 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 50 Q 7.15 3.87 0.00 1.29 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.01 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 51 Q 8.33 3.91 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 52 I 8.00 3.56 1.74 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.08 1.01 0.00 0.00 53 S 9.37 4.43 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.65 4.64 0.00 2.75 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 55 D 8.22 4.66 0.00 2.72 2.66 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 56 A 7.65 4.54 1.21 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 0.00 0.00 57 I 8.26 4.46 1.86 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 1.30 0.72 0.89 0.00 0.00 58 G 7.32 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 I 8.26 4.50 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.77 0.00 0.00 61 I 8.43 4.95 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.03 0.86 0.00 0.00 62 E 8.99 4.23 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 63 A 8.78 3.92 1.15 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 64 H 8.59 5.05 0.00 3.15 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.78 4.16 0.00 1.78 1.61 0.90 1.04 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 66 E 8.88 3.65 0.00 2.03 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 2.19 2.24 0.00 67 D 7.89 4.38 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.96 4.27 0.00 2.07 1.75 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.40 7.81 69 K 8.58 3.87 0.00 1.67 1.75 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 70 D 9.54 4.62 0.00 2.95 2.79 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 0.00 0.00 0.00 0.00 71 S 8.27 4.24 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.30 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.79 2.05 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 1.60 0.61 0.98 0.00 0.00 74 E 8.37 4.21 0.00 2.04 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 0.00 2.32 2.19 0.00 75 L 7.85 3.92 0.00 1.80 1.88 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.80 3.93 0.00 1.79 1.86 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.60 3.98 0.00 2.18 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 2.34 2.61 0.00 78 T 8.34 3.94 4.43 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 1.25 0.00 0.00 79 L 8.08 4.18 0.00 1.90 1.86 0.95 0.72 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 80 V 8.04 3.77 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 81 K 8.03 4.08 0.00 1.99 2.01 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 82 R 7.72 4.44 0.00 2.20 2.01 0.00 3.41 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 83 G 7.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.15 4.51 0.00 3.33 3.02 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 0.00 0.00 0.00 85 H 8.81 5.07 0.00 3.11 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.90 4.79 0.00 1.67 1.61 1.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.27 0.00 2.18 2.01 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 88 T 8.48 4.81 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 1.16 0.00 0.00 89 I 8.27 4.63 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.79 0.00 0.00 90 V 8.73 5.01 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 1.04 0.00 0.00 0.94 0.00 0.00 *92 A 8.22 4.68 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 93 S 8.78 5.05 0.00 4.02 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 94 S 7.56 4.62 0.00 3.83 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 95 S 8.45 4.63 0.00 4.14 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 96 D 8.21 4.96 0.00 2.95 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 97 I 8.04 3.62 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.86 0.00 0.00 98 P 0.00 4.22 0.00 2.13 2.08 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 99 T 8.42 3.84 4.47 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 1.43 0.00 0.00 100 A 7.07 2.80 0.75 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 0.00 0.00 101 V 7.45 3.58 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 0.79 0.00 0.00 0.89 0.00 0.00 102 R 8.34 4.05 0.00 1.95 2.07 0.00 3.16 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 103 A 7.89 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 R 8.03 4.17 0.00 2.04 2.04 0.00 3.11 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 106 A 7.78 4.34 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 0.00 107 S 7.80 4.08 0.00 4.29 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 0.00 108 A 7.65 4.11 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 0.00 109 A 8.99 4.26 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 0.00 110 D 7.71 4.63 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.82 5.10 0.00 3.03 2.88 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 0.00 112 I 8.25 4.55 1.66 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 1.20 0.70 0.90 0.00 0.00 113 E 8.96 4.46 0.00 1.93 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 2.51 2.54 0.00 114 K 9.05 5.08 0.00 1.67 1.79 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.27 7.81 115 P 0.00 4.57 0.00 2.12 2.05 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 116 F 8.40 4.90 0.00 3.17 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 0.00 117 I 8.06 4.12 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 1.45 1.17 0.89 0.00 0.00 118 E 8.80 4.18 0.00 2.25 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 0.00 2.32 2.41 0.00 119 H 8.24 4.50 0.00 3.40 3.62 0.00 5.46 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.47 3.49 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 1.07 0.00 0.00 0.79 0.00 0.00 121 L 7.97 3.88 0.00 1.73 1.95 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.30 3.61 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 1.04 0.00 0.00 1.03 0.00 0.00 123 H 8.62 4.07 0.00 3.34 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.33 4.39 0.00 2.87 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 0.00 125 V 7.93 3.55 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 1.04 0.00 0.00 0.93 0.00 0.00 126 Q 8.26 3.90 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 127 Q 8.12 3.92 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 128 I 7.48 3.75 2.01 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 1.51 0.94 0.90 0.00 0.00 129 I 7.86 3.67 2.04 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 1.50 1.42 0.90 0.00 0.00 130 N 8.38 4.42 0.00 2.63 2.87 0.00 0.00 7.08 7.44 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 0.00 131 G 8.34 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.51 4.20 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 0.00 133 K 7.69 4.23 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.72 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.