NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2831 8.1744 115.2436 62.1483 68.2740 174.1837 6 L 4.5299 7.9948 132.6508 51.9412 42.3437 173.4659 7 D 4.6369 8.7417 122.9214 53.0276 42.1251 178.2615 8 K 4.1973 8.4645 119.4698 60.0733 32.0610 179.1170 9 T 3.8798 7.9234 115.4863 66.6988 68.5157 176.4105 10 D 4.3704 8.4372 120.8476 57.2731 40.6712 178.8393 11 I 3.8485 7.5591 120.0153 63.8652 37.3316 177.9855 12 K 3.9327 8.2268 120.7892 59.5148 31.9702 178.6425 13 I 3.6727 7.9785 120.1701 64.3775 37.0946 178.0150 14 L 3.9684 7.8000 118.8943 58.2049 41.1339 179.6256 15 Q 4.0005 8.3291 117.9728 59.1542 28.5994 179.5828 16 V 3.4644 7.6265 118.4094 66.1114 31.5210 178.1708 17 L 4.2235 8.1195 118.7202 57.7573 41.1721 179.2912 18 Q 3.9928 7.9623 117.4946 59.0563 28.6982 178.6293 19 E 4.2777 7.6060 117.9715 57.8107 31.4041 177.0929 20 N 5.0395 8.2695 116.4854 50.8351 38.5005 175.2203 21 G 3.9968 8.1990 109.0232 48.3956 0.0000 172.4893 22 R 4.1058 7.9818 118.0147 57.2819 30.6175 176.0958 23 L 3.8995 7.5393 117.1880 55.1102 42.4688 177.7517 24 T 4.1633 8.2829 112.6412 61.3864 71.1249 175.4777 25 N 4.3756 8.7053 120.8768 56.6251 38.9850 177.4792 26 V 3.5417 7.7015 119.4012 66.1404 31.8839 177.7446 27 E 3.9989 8.0689 118.0813 59.0902 29.1209 179.1825 28 L 3.9504 8.6138 121.0207 58.2566 42.2377 179.1369 29 S 4.1552 8.4208 114.5525 61.4785 62.1146 176.1180 30 E 3.9513 7.9836 122.4793 59.0903 29.2152 178.7465 31 R 4.1431 7.8886 116.5641 57.9747 30.2176 178.2251 32 V 4.2077 7.3107 109.7257 59.3152 33.4378 175.5352 33 A 3.7713 7.4571 120.4558 52.3345 15.7596 176.8561 34 L 4.6567 8.4534 118.7297 51.2493 46.7388 177.3160 35 S 4.2427 8.6737 118.1860 58.4145 64.7317 173.9729 36 P 4.2540 0.0000 0.0000 65.9420 30.9256 178.9138 37 S 4.1027 8.1134 113.2631 61.6198 62.8413 175.1372 38 P 4.4079 0.0000 0.0000 65.2673 31.2708 178.1058 39 C 4.2141 7.8717 118.0089 62.2962 30.8996 175.1151 40 L 4.1602 8.0291 121.3341 56.9190 41.6891 178.8435 41 R 3.9044 7.5056 117.7200 59.4705 30.1193 178.3237 42 R 3.9085 8.4032 118.2341 59.3484 30.0691 178.8635 43 L 3.9843 7.8687 119.8211 58.0096 42.0206 178.8617 44 K 4.1523 7.8043 118.9599 59.7227 31.6430 178.8584 45 Q 4.0403 8.2235 118.1936 58.5914 28.4215 178.6306 46 L 4.1004 7.9002 120.5189 57.6904 41.4674 179.2027 47 E 4.0329 8.4648 118.2260 58.8831 29.5375 178.1382 48 D 4.7022 8.3268 116.0600 54.5017 41.4942 177.3754 49 A 4.4696 7.3958 119.8041 51.7411 19.5604 177.1463 50 G 4.0766 8.6612 104.7070 45.9204 0.0000 175.1520 51 I 3.5756 7.7618 119.4011 64.5553 37.1101 176.6706 52 V 3.7651 7.3472 126.4015 62.0000 30.4301 175.8361 53 R 4.1474 8.2861 124.9544 58.3080 30.1612 176.7179 54 Q 4.4982 7.3487 115.4466 55.2826 31.6903 172.1909 55 Y 4.5313 8.6120 121.6241 56.5386 39.5302 175.0802 56 A 4.6330 8.2817 125.3511 50.3522 22.4053 175.1460 57 A 4.4130 8.5532 124.3261 51.0447 19.5709 176.8834 58 L 4.5757 8.4094 123.4741 53.2850 43.2496 176.1953 59 L 4.6829 8.0541 122.7050 52.6056 43.9273 175.9441 60 S 4.3279 8.3076 116.0907 57.1750 63.1339 173.2975 61 P 4.1853 0.0000 0.0000 65.9112 31.2369 178.4010 62 E 4.0288 8.1809 117.0392 59.0325 29.2757 178.8566 63 S 4.1222 7.8273 113.3287 60.8374 62.4531 175.1525 64 V 4.1358 7.1104 111.4650 61.3529 31.4031 176.9867 65 N 4.5566 8.1491 117.2324 53.5036 37.2178 174.4042 66 L 4.6679 7.4099 118.4963 54.2806 39.4009 176.8535 67 G 3.7307 8.4368 110.2246 48.5361 0.0000 170.7243 68 L 4.4001 8.3054 124.8984 54.1014 43.1987 175.4335 69 Q 4.4913 8.6482 128.2400 54.2090 31.1094 174.3079 70 A 5.1932 8.8767 128.2401 50.3344 22.8688 175.2539 71 F 4.9054 9.3066 117.0790 56.1226 42.8926 174.2137 72 I 4.9239 8.9207 125.2059 59.4788 40.1208 175.1125 73 R 5.1477 8.9970 125.7715 54.7447 32.2545 175.0638 74 V 4.7091 8.8103 124.4161 61.0757 34.8573 174.4430 75 S 5.0760 8.3831 121.8384 56.7990 65.9880 173.4468 76 I 4.3767 8.4011 125.3628 60.2493 38.2004 176.0846 77 R 3.9127 9.3016 126.1513 56.7004 30.6005 178.0017 78 K 4.2687 8.6517 123.2201 55.1838 30.8643 175.9330 79 A 4.6970 7.5829 124.3907 50.5189 22.3281 175.7205 80 K 4.2976 8.4602 113.9956 57.1445 33.4097 178.6367 81 D 4.6095 8.8588 121.6370 55.8502 40.4007 175.9856 82 A 4.0884 8.1961 121.1377 55.4946 18.1514 179.5872 83 R 3.9193 8.0241 116.3648 59.6297 30.1360 178.2157 84 E 4.0180 8.0567 118.6230 59.0690 29.7579 178.3034 85 D 4.3193 8.6815 119.4408 57.3558 40.9193 178.3805 86 F 3.8433 8.4374 121.0726 61.0058 39.1696 176.8830 87 A 3.5254 7.7170 119.6174 55.1762 18.0201 179.5826 88 A 3.7879 7.8306 117.9928 55.2009 18.7952 179.7596 89 S 3.7452 8.0805 114.2025 61.4745 62.3903 177.0580 90 V 2.4853 6.5730 120.7192 65.3981 30.8089 178.2195 91 R 3.9259 7.0089 117.0512 57.8804 29.9829 177.8793 92 K 4.5358 7.0800 115.8727 55.8712 33.6633 176.6825 93 W 4.9113 7.3418 121.0064 54.8843 28.4379 175.2382 94 P 4.3785 0.0000 0.0000 65.1559 31.2099 177.8305 95 E 3.7521 8.1754 116.6959 57.8954 29.8824 176.1885 96 V 4.0464 7.4535 119.5400 61.8314 31.4557 175.1525 97 L 4.4418 8.6404 128.6506 56.7866 42.3633 177.6763 98 S 4.6566 7.8722 111.6802 56.6254 66.8682 172.7029 99 C 5.1148 7.7906 120.8640 58.3127 34.2179 172.9006 100 F 5.1524 9.5334 124.5255 55.5869 42.7634 174.2932 101 A 4.8668 8.7064 123.5176 50.4223 19.1070 176.8776 102 L 4.7454 8.2889 122.1004 53.6723 44.1503 176.8781 103 T 4.1197 8.2145 111.1637 61.4590 70.1429 173.9103 104 G 3.8389 8.4431 106.2299 44.2508 0.0000 172.7024 105 E 4.0299 8.8304 117.5895 59.5443 29.6450 177.4565 106 T 4.4145 7.5894 111.0592 61.3334 68.8881 173.5522 107 D 4.6173 8.6064 125.8296 55.7483 42.9206 175.9857 108 Y 5.2452 8.3881 114.7203 55.9336 42.1666 174.6876 109 L 5.4728 9.5395 124.1519 53.3968 45.5546 175.0058 110 L 5.3153 9.5400 125.8641 53.0203 45.2848 174.9910 111 Q 4.4828 8.9290 124.3467 54.2826 30.9898 174.1599 112 A 5.1679 8.2500 126.8039 50.3376 23.2175 174.3878 113 F 5.1102 8.2237 117.1617 55.9483 42.5504 174.8765 114 F 4.9368 9.5303 119.1514 56.5437 43.4198 176.0345 115 T 4.2592 9.1797 111.2199 64.1464 70.7519 174.1577 116 D 4.4887 7.9454 123.3983 52.9547 44.8678 176.1207 *118 N 4.6482 9.6973 116.0056 53.3573 40.8674 175.0352 119 A 4.1435 8.7790 120.2578 55.0309 18.3413 179.4821 120 F 3.2932 8.1848 119.6263 60.9919 38.9288 177.5325 121 S 3.9033 7.9938 113.4901 61.7163 62.8118 175.5748 122 H 4.1370 7.9178 122.1641 58.8214 29.5236 176.8672 123 F 3.7114 7.6976 122.2228 61.1812 39.2791 177.1668 124 V 3.3257 7.6353 118.1100 66.0564 31.0691 177.9572 125 L 4.0113 8.1401 117.2690 56.5125 41.6456 177.9201 126 D 4.8458 7.8702 115.6708 54.2807 41.9858 175.7208 127 T 4.0787 6.9637 113.3244 64.8008 71.1411 175.7876 128 L 3.6893 7.0263 122.4719 58.1746 42.2092 178.7567 129 L 4.1647 7.7000 116.8412 56.7522 41.7158 178.0529 130 S 4.4091 7.7429 110.9693 58.5279 63.8652 173.4966 131 H 4.4280 7.9967 122.6891 56.0114 29.9078 175.2699 132 H 4.0611 9.1816 123.4307 58.7487 28.2567 176.3799 133 G 3.7116 7.9739 106.7425 48.5822 0.0000 173.5856 134 V 3.9808 7.9716 120.8757 62.5159 30.9312 176.0273 135 Q 4.2557 8.9501 131.4794 59.0411 29.5359 175.3243 136 D 4.6494 7.7523 115.6001 53.1106 42.3971 174.0695 137 A 5.0078 8.3986 119.1281 50.9858 22.7528 176.2931 138 Q 4.2773 8.8140 121.2449 55.3655 31.6393 173.1977 139 S 5.1658 8.6106 122.5257 56.8305 65.0203 174.0603 140 S 4.3956 9.0280 120.0145 56.5358 66.4857 173.0868 141 F 5.3473 8.3745 120.9666 55.5914 41.9619 175.3327 142 V 4.0016 8.5123 122.4377 62.5492 31.0337 176.0261 143 L 4.3130 8.6565 128.3496 56.1500 42.3200 177.1402 144 K 4.1209 7.4962 115.3778 55.5251 34.7573 174.0688 145 E 4.3880 8.7994 127.7915 54.9937 28.8168 175.5338 146 I 3.9651 8.2670 128.1281 63.7902 37.6486 176.8150 147 K 4.5896 7.6023 117.6948 55.7451 34.8416 174.1500 148 H 4.7575 8.4995 122.7184 55.5594 32.7561 172.6222 149 T 4.6320 7.9872 120.0028 61.1243 70.1117 173.1889 150 T 4.2635 8.2575 115.3294 61.9916 69.7501 175.0270 151 S 4.2366 7.6985 119.7386 58.2603 62.9696 174.2940 152 L 4.2897 8.2275 125.8107 53.5413 42.1535 175.1664 153 P 4.5689 0.0000 0.0000 62.9105 32.2079 176.1955 154 L 4.6163 8.2035 117.4089 54.4305 44.3289 177.9730 155 N 4.3429 8.2938 119.1567 56.4667 38.6815 176.8136 156 H 4.3420 8.2108 112.5635 58.5342 28.4157 176.3672 157 L 4.1166 7.2615 118.2382 56.2146 41.7530 176.9413 158 L 4.2439 8.0148 123.9667 54.7700 41.6507 176.2530 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 5 T 8.17 4.28 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 1.21 0.00 0.00 6 L 7.99 4.53 0.00 1.64 1.50 0.92 0.98 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 7 D 8.74 4.64 0.00 2.94 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 8 K 8.46 4.20 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.53 7.81 9 T 7.92 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 1.23 0.00 0.00 10 D 8.44 4.37 0.00 2.89 2.72 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 11 I 7.56 3.85 1.98 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 1.50 0.85 0.88 0.00 0.00 12 K 8.23 3.93 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.63 7.81 13 I 7.98 3.67 2.07 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 1.54 0.72 0.94 0.00 0.00 14 L 7.80 3.97 0.00 1.85 1.72 0.91 0.85 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 15 Q 8.33 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 16 V 7.63 3.46 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 1.14 0.00 0.00 1.05 0.00 0.00 17 L 8.12 4.22 0.00 1.78 1.80 1.10 0.86 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 18 Q 7.96 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 19 E 7.61 4.28 0.00 2.00 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 2.51 2.49 0.00 20 N 8.27 5.04 0.00 2.71 2.73 0.00 0.00 6.92 7.92 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 21 G 8.20 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 22 R 7.98 4.11 0.00 1.79 1.97 0.00 3.28 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 23 L 7.54 3.90 0.00 1.87 1.64 0.94 0.91 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 24 T 8.28 4.16 4.23 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 1.20 0.00 0.00 25 N 8.71 4.38 0.00 2.84 2.85 0.00 0.00 6.72 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 26 V 7.70 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.07 4.00 0.00 2.24 1.98 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 2.33 2.31 0.00 28 L 8.61 3.95 0.00 1.72 1.66 0.94 0.96 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 29 S 8.42 4.16 0.00 4.28 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 0.00 30 E 7.98 3.95 0.00 2.19 2.16 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 2.30 2.34 0.00 31 R 7.89 4.14 0.00 1.87 1.98 0.00 3.19 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 1.67 1.92 0.00 32 V 7.31 4.21 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 0.79 0.00 0.00 1.02 0.00 0.00 33 A 7.46 3.77 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 34 L 8.45 4.66 0.00 1.60 1.52 0.93 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 35 S 8.67 4.24 0.00 3.86 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 36 P 0.00 4.25 0.00 2.15 2.11 0.00 3.62 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 2.11 2.19 0.00 37 S 8.11 4.10 0.00 3.86 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 38 P 0.00 4.41 0.00 2.16 2.09 0.00 3.81 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 2.11 2.13 0.00 39 C 7.87 4.21 0.00 3.03 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 40 L 8.03 4.16 0.00 1.95 1.64 0.91 0.89 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 41 R 7.51 3.90 0.00 1.97 2.04 0.00 3.16 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 1.63 1.67 0.00 42 R 8.40 3.91 0.00 1.92 1.98 0.00 3.30 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 L 7.87 3.98 0.00 1.91 1.69 1.03 0.64 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 44 K 7.80 4.15 0.00 1.98 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.54 7.81 45 Q 8.22 4.04 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 46 L 7.90 4.10 0.00 1.93 1.71 0.97 0.94 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 47 E 8.46 4.03 0.00 2.18 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 0.00 2.54 2.50 0.00 48 D 8.33 4.70 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 49 A 7.40 4.47 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 50 G 8.66 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 0.00 0.00 0.00 51 I 7.76 3.58 2.01 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 1.30 0.57 0.89 0.00 0.00 52 V 7.35 3.77 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 0.23 0.00 0.00 0.85 0.00 0.00 53 R 8.29 4.15 0.00 1.94 2.01 0.00 3.12 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 54 Q 7.35 4.50 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 55 Y 8.61 4.53 0.00 3.01 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 56 A 8.28 4.63 1.20 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 0.00 0.00 0.00 57 A 8.55 4.41 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 58 L 8.41 4.58 0.00 1.65 1.62 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.05 4.68 0.00 1.51 1.49 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.31 4.33 0.00 3.85 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 61 P 0.00 4.19 0.00 2.63 1.99 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 62 E 8.18 4.03 0.00 2.24 2.29 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 2.38 2.38 0.00 63 S 7.83 4.12 0.00 3.91 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 64 V 7.11 4.14 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 0.70 0.00 0.00 0.93 0.00 0.00 65 N 8.15 4.56 0.00 3.06 3.03 0.00 0.00 7.07 6.69 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 66 L 7.41 4.67 0.00 1.68 1.80 0.83 1.13 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 67 G 8.44 3.73 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 68 L 8.31 4.40 0.00 1.77 1.82 0.40 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.65 4.49 0.00 1.61 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 70 A 8.88 5.19 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 71 F 9.31 4.91 0.00 2.92 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 72 I 8.92 4.92 2.08 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 1.09 0.00 0.00 73 R 9.00 5.15 0.00 1.79 1.90 0.00 3.13 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 74 V 8.81 4.71 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 0.67 0.00 0.00 1.12 0.00 0.00 75 S 8.38 5.08 0.00 3.89 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 76 I 8.40 4.38 1.91 0.00 0.00 -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 0.94 0.52 0.91 0.00 0.00 77 R 9.30 3.91 0.00 1.65 1.88 0.00 3.34 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 78 K 8.65 4.27 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.38 7.81 79 A 7.58 4.70 1.23 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 0.00 0.00 80 K 8.46 4.30 0.00 1.85 1.74 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.47 7.81 81 D 8.86 4.61 0.00 2.91 2.85 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 0.00 0.00 0.00 0.00 82 A 8.20 4.09 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 83 R 8.02 3.92 0.00 1.98 2.02 0.00 3.26 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 84 E 8.06 4.02 0.00 2.14 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 0.00 2.38 2.45 0.00 85 D 8.68 4.32 0.00 2.83 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 86 F 8.44 3.84 0.00 2.91 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 87 A 7.72 3.53 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 A 7.83 3.79 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 89 S 8.08 3.75 0.00 3.02 3.52 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 0.00 90 V 6.57 2.49 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 -0.56 0.00 0.00 91 R 7.01 3.93 0.00 1.75 1.84 0.00 3.08 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 92 K 7.08 4.54 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 93 W 7.34 4.91 0.00 3.56 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 94 P 0.00 4.38 0.00 2.17 2.21 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 95 E 8.18 3.75 0.00 1.49 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 2.01 1.55 0.00 96 V 7.45 4.05 2.44 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 0.84 0.00 0.00 1.22 0.00 0.00 97 L 8.64 4.44 0.00 1.64 1.73 1.01 0.55 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 98 S 7.87 4.66 0.00 3.49 3.86 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 99 C 7.79 5.11 0.00 2.88 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 0.00 100 F 9.53 5.15 0.00 3.04 2.92 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 0.00 0.00 0.00 101 A 8.71 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.29 4.75 0.00 1.54 1.59 0.95 0.93 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 0.00 103 T 8.21 4.12 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 1.19 0.00 0.00 104 G 8.44 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.83 4.03 0.00 1.97 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 2.31 2.30 0.00 106 T 7.59 4.41 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 1.32 0.00 0.00 107 D 8.61 4.62 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 5.25 0.00 3.09 3.05 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 0.00 0.00 0.00 109 L 9.54 5.47 0.00 1.84 1.73 1.13 0.81 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 0.00 110 L 9.54 5.32 0.00 1.91 1.65 1.32 1.12 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 0.00 111 Q 8.93 4.48 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 112 A 8.25 5.17 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 0.00 113 F 8.22 5.11 0.00 2.68 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 0.00 114 F 9.53 4.94 0.00 2.91 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 0.00 115 T 9.18 4.26 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 1.26 0.00 0.00 116 D 7.95 4.49 0.00 2.87 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 0.00 0.00 0.00 *118 N 9.70 4.65 0.00 2.81 2.99 0.00 0.00 7.57 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 0.00 119 A 8.78 4.14 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 3.29 0.00 2.60 2.84 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 0.00 0.00 0.00 121 S 7.99 3.90 0.00 4.06 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 0.00 122 H 7.92 4.14 0.00 3.19 3.38 0.00 5.78 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 0.00 123 F 7.70 3.71 0.00 3.22 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 0.00 124 V 7.64 3.33 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 0.86 0.00 0.00 0.29 0.00 0.00 125 L 8.14 4.01 0.00 1.68 1.65 0.91 0.95 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 0.00 126 D 7.87 4.85 0.00 2.70 2.64 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 0.00 127 T 6.96 4.08 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 0.01 0.00 0.00 128 L 7.03 3.69 0.00 1.23 1.64 1.28 1.23 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 0.00 129 L 7.70 4.16 0.00 1.65 1.68 0.88 0.77 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 0.00 130 S 7.74 4.41 0.00 3.95 3.92 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 0.00 0.00 0.00 131 H 8.00 4.43 0.00 3.59 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.18 4.06 0.00 3.31 3.46 0.00 5.58 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 0.00 133 G 7.97 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.97 3.98 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 0.75 0.00 0.00 0.97 0.00 0.00 135 Q 8.95 4.26 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 136 D 7.75 4.65 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 137 A 8.40 5.01 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 0.00 138 Q 8.81 4.28 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 139 S 8.61 5.17 0.00 3.75 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 0.00 140 S 9.03 4.40 0.00 3.59 3.58 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 0.00 141 F 8.37 5.35 0.00 2.86 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 0.00 142 V 8.51 4.00 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 0.83 0.00 0.00 1.23 0.00 0.00 143 L 8.66 4.31 0.00 1.69 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.50 4.12 0.00 1.66 1.64 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.36 7.81 145 E 8.80 4.39 0.00 2.02 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 2.32 2.40 0.00 146 I 8.27 3.97 1.88 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 1.30 0.53 0.92 0.00 0.00 147 K 7.60 4.59 0.00 1.68 1.64 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.44 7.81 148 H 8.50 4.76 0.00 3.18 3.34 0.00 5.78 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 0.00 149 T 7.99 4.63 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 1.19 0.00 0.00 150 T 8.26 4.26 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 1.23 0.00 0.00 151 S 7.70 4.24 0.00 3.92 3.86 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 0.00 152 L 8.23 4.29 0.00 1.78 1.61 0.92 1.15 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 0.00 153 P 0.00 4.57 0.00 2.22 2.06 0.00 3.72 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 2.02 1.99 0.00 154 L 8.20 4.62 0.00 1.62 1.55 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.29 4.34 0.00 2.75 2.87 0.00 0.00 6.79 8.16 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 0.00 156 H 8.21 4.34 0.00 3.25 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.26 4.12 0.00 1.67 1.72 0.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.01 4.24 0.00 1.68 1.55 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.