NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2307 8.4445 119.1062 54.1528 29.2697 174.9714 4 L 3.7840 7.5893 121.4751 53.4005 41.9879 176.9482 5 T 4.1059 8.2027 117.8270 61.0212 68.9513 174.3501 6 E 3.9421 8.8063 122.7281 59.6838 28.9681 178.6167 7 E 3.9159 8.3342 120.1015 58.9168 29.2739 177.6434 8 Q 4.4832 7.8476 116.2815 56.7646 29.3488 175.4041 9 I 4.3186 8.7833 119.0826 63.7945 39.3359 177.5671 10 A 4.1891 8.2511 121.5935 56.1414 18.0324 178.7236 11 E 4.2587 8.1873 115.9385 59.1448 29.2917 178.9436 12 F 4.2360 8.2968 117.2913 59.1402 40.0641 175.7269 13 K 4.7235 9.0671 117.4419 58.3473 34.1781 178.2625 14 E 4.1592 9.2407 116.5319 58.0713 29.5109 177.5389 15 A 4.6652 7.9117 120.9284 52.9426 21.3156 178.2850 16 F 4.0151 8.1905 116.8351 61.0152 39.5717 176.5546 17 S 4.1070 8.9831 117.3823 61.3302 63.1340 176.4223 18 L 3.9819 7.6108 120.2286 57.7723 42.1050 177.5195 19 F 4.4938 7.7179 115.8796 57.2633 39.2259 176.1218 20 D 4.4649 8.6134 123.1638 51.4731 39.0176 175.3689 21 K 3.5332 7.5076 121.9976 59.8940 33.4475 177.4213 22 D 4.5735 8.2674 118.0489 59.1243 37.8397 179.0727 23 G 3.9289 6.8335 104.9905 47.7289 0.0000 174.8347 24 D 4.3235 9.8375 118.9634 52.8748 39.4735 176.7814 25 G 5.0518 8.0017 121.8593 45.0473 0.0000 171.7955 26 T 5.0098 7.7350 108.8401 59.4562 71.9625 173.0184 27 I 4.6643 8.3145 116.2888 59.2949 40.4718 176.9825 28 T 4.1344 9.8921 115.1917 62.4328 69.2180 173.5210 29 T 4.1243 8.8314 115.4467 66.1544 68.6224 176.3708 30 K 3.8058 8.0276 119.8318 60.1077 32.1866 179.0427 31 E 3.9378 8.1281 118.3750 59.1063 29.3014 179.1270 32 L 3.9338 8.2339 120.7393 58.1518 42.3712 178.9361 33 G 3.9489 8.1796 105.2627 48.5672 0.0000 175.4831 34 T 3.8566 8.0193 118.1932 66.1090 68.3815 177.0764 35 V 2.8480 7.6513 120.3646 66.0015 31.3803 178.0726 36 M 3.9577 8.0981 118.2310 58.5256 31.8467 178.4192 37 R 4.6459 7.8732 119.1201 58.9329 30.0924 178.7737 38 S 4.0305 7.4744 112.4345 61.8387 62.7379 176.3083 39 L 4.1302 7.0028 117.7459 54.8491 41.0232 177.8035 40 G 3.8562 8.5719 107.5905 45.5126 0.0000 173.1937 41 Q 4.6904 7.5873 119.6633 55.0747 31.7709 173.9519 42 N 4.5173 7.9841 114.9875 52.5337 37.8143 172.4442 43 P 4.5845 0.0000 0.0000 61.9238 33.0919 175.9741 44 T 4.3125 8.0426 108.1885 60.6262 69.7669 175.4344 45 E 3.9187 8.7614 122.1503 58.9398 29.5130 178.0970 46 A 4.6209 7.8268 119.1531 52.2297 21.3388 177.2862 47 E 4.1188 8.3806 115.9450 57.9882 29.4561 178.1642 48 L 3.9784 7.6139 119.0344 58.8968 41.7475 177.4261 49 Q 4.1953 8.5201 118.8873 56.9628 28.4011 178.8531 50 D 4.6670 7.1725 122.6615 57.1789 42.3062 179.2628 51 M 4.1888 7.6997 116.8058 58.3387 32.1117 178.6462 52 I 3.7964 7.5854 117.9993 64.0682 38.2992 177.0701 53 N 4.5438 9.2327 116.5708 55.9601 38.7918 175.4223 54 E 4.4233 7.5700 116.9810 56.7625 30.9568 176.1668 55 V 4.4326 7.9607 112.2070 60.4149 32.1641 177.0492 56 D 4.5623 7.9965 119.4036 54.1739 40.5574 177.0059 57 A 4.7127 8.4050 124.0422 52.3527 21.4006 175.6644 58 D 5.2324 7.8312 119.1585 54.4724 42.4021 178.5034 59 G 3.9129 8.6922 109.2967 47.7991 0.0000 173.1174 60 N 4.1267 9.3529 114.9293 52.6931 37.4516 172.7704 61 G 3.9755 6.9124 111.7508 45.7458 0.0000 170.6320 62 T 4.7381 7.3763 113.9267 59.9519 70.8470 172.6376 63 I 4.7058 8.1900 127.5398 59.1742 41.2790 175.1447 64 D 4.8329 8.5829 128.4744 52.8853 41.6839 176.9274 65 F 3.3021 9.1873 116.1035 60.5742 38.7541 175.3821 66 P 4.2207 0.0000 0.0000 65.8406 30.6283 178.3253 67 E 3.8561 10.6071 117.5047 59.4339 29.2521 178.9300 68 F 4.4289 7.3914 118.3639 60.1586 39.9425 177.0193 69 L 3.7997 8.5538 120.6339 58.3922 42.0247 179.0101 70 T 4.0220 8.0882 116.0995 66.2511 68.8560 176.2845 71 M 3.9838 7.6505 118.7461 57.9113 32.1030 176.9667 72 M 4.1868 7.5181 116.9023 56.0981 31.7249 176.4217 73 A 4.6869 7.5535 118.7606 51.7243 20.3160 178.1974 74 R 4.1168 7.8595 115.5183 58.5159 30.2567 177.4567 75 K 4.6790 7.6847 117.4808 56.2199 33.1771 176.0210 76 M 4.5371 8.0077 115.8176 56.4754 34.4845 176.7335 77 K 3.9839 8.1049 116.9789 57.9988 32.0800 175.5038 78 D 4.4042 6.9957 116.2676 54.7441 42.4578 175.3973 79 T 3.8144 8.0030 115.2706 63.2055 67.8250 173.0764 80 D 5.0087 8.5178 127.6712 53.5820 42.5719 177.7614 81 S 4.2745 7.9189 118.7049 61.3561 62.6435 175.8097 82 E 3.8905 8.0951 122.0929 59.3115 29.7615 178.6219 83 E 4.1583 8.1984 117.9471 59.4009 29.7350 178.5737 84 E 4.0163 8.3455 118.2245 59.9880 29.4605 179.6635 85 I 4.1477 7.7857 118.6387 63.9194 36.9875 177.7068 86 R 4.5816 8.4559 118.6286 57.5343 29.9121 177.4012 87 E 4.3242 8.0759 116.2327 58.4880 30.5466 177.6547 88 A 4.3491 8.7818 121.6176 55.0354 18.5061 179.2618 89 F 3.3404 8.4245 119.3186 61.5715 39.3287 177.6186 90 R 3.9542 7.8048 115.8641 58.7932 29.8107 178.5939 91 V 3.6520 7.3581 117.8071 66.0707 31.6010 177.3195 92 F 4.1703 8.2193 115.6330 59.1090 39.4464 175.9384 93 D 4.4284 7.4437 123.1201 52.5403 39.0986 176.7562 94 K 4.2201 8.1052 117.7840 57.5361 32.4360 177.4550 95 D 4.7444 7.9143 116.9091 52.1092 40.5287 176.4404 96 G 3.8388 8.3296 107.7821 46.5314 0.0000 173.5573 97 N 4.7670 8.0104 111.8526 51.5630 37.4020 176.8114 98 G 3.9724 8.1414 104.9474 46.7740 0.0000 173.3739 99 Y 5.1001 7.9135 116.0724 56.2119 41.3908 175.0387 100 I 4.7605 9.0269 122.7651 59.6081 39.9151 174.9939 101 S 5.0325 8.7136 119.9733 55.9149 65.8423 174.8773 102 A 3.6062 9.0020 123.0632 56.0732 17.7729 179.4143 103 A 3.9839 8.1198 119.0228 55.5149 18.3847 179.4142 104 E 3.9991 8.2173 114.2992 59.4345 29.7466 178.4618 105 L 4.2502 8.9070 122.7582 57.7963 41.8766 178.4325 106 R 3.8954 8.2853 119.7323 60.5468 30.3801 177.6104 107 H 4.1778 8.6783 118.0966 59.4558 29.3661 177.2503 108 V 3.4011 8.4716 120.3373 66.0792 31.5053 178.3262 109 M 4.2227 8.7808 119.0644 57.9007 30.8768 178.4966 110 T 4.6174 7.7520 111.3199 63.6303 69.3902 176.7031 111 N 4.9465 8.0909 117.7015 55.8004 38.6476 175.4360 112 L 4.2787 7.4736 114.9398 54.5455 41.5236 177.2118 113 G 3.8491 9.5125 106.5321 45.8117 0.0000 173.0739 114 E 4.5016 8.0239 120.0795 53.8635 31.2761 175.2517 115 K 4.4389 8.5145 125.3786 55.0481 32.1649 175.4779 116 L 4.7273 8.1223 123.7909 52.7675 44.0716 176.5459 117 T 4.1712 8.3468 117.3654 61.4203 67.8061 174.9135 118 D 4.3830 8.8438 127.5474 57.6476 40.6153 179.0861 119 E 4.0238 8.3272 119.0511 59.3562 29.4674 178.2927 120 E 4.3682 8.0216 114.7125 57.0122 29.7798 177.9291 121 V 4.1385 7.4254 119.0055 64.9730 32.2444 177.1077 122 D 4.4997 7.7019 116.6328 56.4610 40.2867 178.1636 123 Q 4.1233 7.7656 119.5741 59.3580 29.1070 176.8066 124 M 4.2669 8.5173 120.5037 57.1282 31.7863 178.9490 125 I 3.5951 7.2350 121.1143 64.8296 37.9817 177.2679 126 R 3.8889 7.7574 118.2371 60.0791 29.5995 177.8206 127 E 3.9789 8.0272 118.4121 58.7141 29.7908 178.3542 128 A 4.2828 7.7113 119.4812 52.8330 19.2867 176.9145 129 D 4.7363 7.8626 117.9760 54.0110 41.9540 175.8472 130 I 4.2813 8.8709 126.9807 61.9454 38.9936 176.1950 131 D 4.6440 8.2701 117.6098 52.4513 39.7302 178.0936 132 G 3.8841 7.9137 108.6366 46.2168 0.0000 175.1974 133 D 4.5364 7.7662 117.0034 53.3191 38.7559 177.3963 134 G 4.1136 8.4524 105.9797 46.5038 0.0000 173.6683 135 Q 4.6927 7.7271 114.1452 54.5508 32.1576 174.4336 136 V 4.6532 8.5125 114.5632 60.3077 33.5468 175.5001 137 N 5.0312 8.9817 122.8988 51.5190 39.8584 175.2625 138 Y 3.0784 8.2199 119.0900 61.5207 38.4710 177.6834 139 E 3.6249 8.1418 117.2144 60.2992 29.5115 179.2090 140 E 3.9627 9.5007 117.7786 59.4334 29.7115 179.2133 141 F 4.1637 8.5679 121.9651 61.3675 39.4179 177.1692 142 V 3.3668 8.3190 118.9222 65.9912 31.0486 178.0027 143 Q 3.8437 7.8321 117.7138 58.9788 28.4170 177.8111 144 M 3.8616 7.8797 118.3502 59.8969 32.2658 177.3300 145 M 3.8398 7.6703 117.0668 58.1788 32.2030 177.7155 146 T 3.9872 7.6964 112.0022 63.7527 69.4177 174.6335 147 A 3.8174 7.3107 124.3567 52.0122 18.7467 177.3048 148 K 4.1120 8.5736 122.9284 56.5857 32.2897 176.0910 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 Q 8.44 4.23 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.59 3.78 0.00 1.74 1.51 0.92 0.62 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 5 T 8.20 4.11 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 1.23 0.00 0.00 6 E 8.81 3.94 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 7 E 8.33 3.92 0.00 2.08 2.04 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 2.44 2.43 0.00 8 Q 7.85 4.48 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 1.94 2.38 0.00 9 I 8.78 4.32 1.99 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 1.48 1.06 0.96 0.00 0.00 10 A 8.25 4.19 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 11 E 8.19 4.26 0.00 2.29 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 2.64 0.00 12 F 8.30 4.24 0.00 3.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.07 4.72 0.00 2.14 1.96 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.72 7.81 14 E 9.24 4.16 0.00 2.10 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 0.00 2.42 2.48 0.00 15 A 7.91 4.67 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 16 F 8.19 4.02 0.00 2.82 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.98 4.11 0.00 3.96 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 18 L 7.61 3.98 0.00 1.91 2.14 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.72 4.49 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.61 4.46 0.00 2.36 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 0.00 0.00 0.00 0.00 21 K 7.51 3.53 0.00 1.62 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.49 7.81 22 D 8.27 4.57 0.00 2.83 2.80 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 23 G 6.83 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 24 D 9.84 4.32 0.00 2.81 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 25 G 8.00 5.05 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 0.00 0.00 0.00 26 T 7.73 5.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 I 8.31 4.66 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 -0.13 0.00 0.00 28 T 9.89 4.13 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 1.22 0.00 0.00 29 T 8.83 4.12 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 1.22 0.00 0.00 30 K 8.03 3.81 0.00 1.83 1.89 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 31 E 8.13 3.94 0.00 2.09 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 0.00 2.42 2.28 0.00 32 L 8.23 3.93 0.00 1.78 1.83 1.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.18 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 34 T 8.02 3.86 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 1.32 0.00 0.00 35 V 7.65 2.85 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 0.83 0.00 0.00 0.69 0.00 0.00 36 M 8.10 3.96 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 37 R 7.87 4.65 0.00 1.79 1.95 0.00 3.14 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 38 S 7.47 4.03 0.00 3.87 3.65 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 39 L 7.00 4.13 0.00 1.70 1.55 0.24 1.16 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 40 G 8.57 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 0.00 0.00 0.00 41 Q 7.59 4.69 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 42 N 7.98 4.52 0.00 2.79 2.80 0.00 0.00 5.94 7.75 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 43 P 0.00 4.58 0.00 2.21 2.12 0.00 3.75 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 1.97 0.00 44 T 8.04 4.31 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 45 E 8.76 3.92 0.00 1.97 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 2.33 2.34 0.00 46 A 7.83 4.62 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 47 E 8.38 4.12 0.00 2.04 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 2.31 2.31 0.00 48 L 7.61 3.98 0.00 1.90 1.70 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.52 4.20 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 50 D 7.17 4.67 0.00 2.68 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 51 M 7.70 4.19 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 52 I 7.59 3.80 1.93 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 1.56 1.08 1.03 0.00 0.00 53 N 9.23 4.54 0.00 2.74 2.93 0.00 0.00 7.27 7.53 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 54 E 7.57 4.42 0.00 2.31 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 2.30 2.38 0.00 55 V 7.96 4.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.15 0.00 0.00 56 D 8.00 4.56 0.00 2.68 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 57 A 8.40 4.71 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 58 D 7.83 5.23 0.00 2.79 2.53 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 59 G 8.69 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 0.00 0.00 0.00 60 N 9.35 4.13 0.00 2.59 2.78 0.00 0.00 6.98 7.86 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 61 G 6.91 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 0.00 0.00 0.00 62 T 7.38 4.74 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.19 4.71 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 1.08 0.00 0.00 64 D 8.58 4.83 0.00 3.07 2.93 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 65 F 9.19 3.30 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 66 P 0.00 4.22 0.00 2.39 2.08 0.00 4.03 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 67 E 10.61 3.86 0.00 2.20 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 2.38 2.92 0.00 68 F 7.39 4.43 0.00 2.92 2.98 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 69 L 8.55 3.80 0.00 1.65 1.71 0.78 1.02 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 70 T 8.09 4.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 M 7.65 3.98 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 72 M 7.52 4.19 0.00 1.48 1.73 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 1.81 0.00 73 A 7.55 4.69 1.14 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 0.00 0.00 74 R 7.86 4.12 0.00 2.05 1.98 0.00 3.27 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 75 K 7.68 4.68 0.00 1.64 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.41 7.81 76 M 8.01 4.54 0.00 2.30 1.86 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 77 K 8.10 3.98 0.00 1.66 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 78 D 7.00 4.40 0.00 2.61 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 3.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 80 D 8.52 5.01 0.00 2.66 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 81 S 7.92 4.27 0.00 4.09 4.13 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 82 E 8.10 3.89 0.00 2.03 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 2.39 2.56 0.00 83 E 8.20 4.16 0.00 2.13 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 2.42 2.48 0.00 84 E 8.35 4.02 0.00 2.27 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 0.00 2.45 2.54 0.00 85 I 7.79 4.15 2.16 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 1.40 0.83 0.99 0.00 0.00 86 R 8.46 4.58 0.00 1.89 2.09 0.00 2.96 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.00 87 E 8.08 4.32 0.00 2.19 2.04 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 2.30 2.76 0.00 88 A 8.78 4.35 1.71 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 89 F 8.42 3.34 0.00 3.34 3.32 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 90 R 7.80 3.95 0.00 1.81 2.01 0.00 3.23 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 91 V 7.36 3.65 2.32 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 0.46 0.00 0.00 0.96 0.00 0.00 92 F 8.22 4.17 0.00 2.64 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 93 D 7.44 4.43 0.00 2.04 2.25 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 94 K 8.11 4.22 0.00 2.01 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.55 7.81 95 D 7.91 4.74 0.00 2.68 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 96 G 8.33 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 97 N 8.01 4.77 0.00 3.09 3.19 0.00 0.00 6.90 6.80 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 98 G 8.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.91 5.10 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.03 4.76 2.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.27 0.91 0.00 0.00 101 S 8.71 5.03 0.00 3.91 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 0.00 102 A 9.00 3.61 1.37 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 0.00 0.00 0.00 0.00 0.00 103 A 8.12 3.98 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 0.00 104 E 8.22 4.00 0.00 2.48 2.24 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 2.47 2.43 0.00 105 L 8.91 4.25 0.00 1.83 1.86 1.13 -0.08 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 0.00 106 R 8.29 3.90 0.00 1.89 2.30 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 107 H 8.68 4.18 0.00 3.34 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.47 3.40 1.65 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 0.51 0.00 0.00 0.82 0.00 0.00 109 M 8.78 4.22 0.00 2.07 2.38 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 2.72 2.96 0.00 110 T 7.75 4.62 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 1.30 0.00 0.00 111 N 8.09 4.95 0.00 2.60 2.86 0.00 0.00 6.90 7.85 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 0.00 112 L 7.47 4.28 0.00 1.65 1.67 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.51 3.85 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 0.00 0.00 0.00 114 E 8.02 4.50 0.00 2.09 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 2.24 2.31 0.00 115 K 8.51 4.44 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 116 L 8.12 4.73 0.00 1.63 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.35 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 118 D 8.84 4.38 0.00 2.79 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 0.00 119 E 8.33 4.02 0.00 2.04 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 2.50 0.00 120 E 8.02 4.37 0.00 1.95 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 2.35 2.32 0.00 121 V 7.43 4.14 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 1.18 0.00 0.00 0.97 0.00 0.00 122 D 7.70 4.50 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 0.00 123 Q 7.77 4.12 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 124 M 8.52 4.27 0.00 2.13 2.12 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 2.91 2.60 0.00 125 I 7.23 3.60 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.75 0.95 0.00 0.00 126 R 7.76 3.89 0.00 2.15 1.90 0.00 3.11 0.00 0.00 3.10 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 E 8.03 3.98 0.00 2.05 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 2.32 2.34 0.00 128 A 7.71 4.28 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 0.00 129 D 7.86 4.74 0.00 2.78 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 0.00 130 I 8.87 4.28 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.91 0.00 0.00 131 D 8.27 4.64 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.77 4.54 0.00 2.89 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 0.00 134 G 8.45 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.73 4.69 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 136 V 8.51 4.65 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 0.81 0.00 0.00 1.08 0.00 0.00 137 N 8.98 5.03 0.00 2.68 3.04 0.00 0.00 6.14 6.91 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 0.00 138 Y 8.22 3.08 0.00 2.06 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 0.00 139 E 8.14 3.62 0.00 2.31 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 140 E 9.50 3.96 0.00 2.33 2.23 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 2.68 2.58 0.00 141 F 8.57 4.16 0.00 3.28 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 0.00 142 V 8.32 3.37 1.82 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 0.78 0.00 0.00 -0.34 0.00 0.00 143 Q 7.83 3.84 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 144 M 7.88 3.86 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 145 M 7.67 3.84 0.00 1.82 1.60 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 146 T 7.70 3.99 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 1.16 0.00 0.00 147 A 7.31 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.57 4.11 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81