NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4757 8.1633 120.6130 55.4290 33.7228 173.2747 2 K 4.8318 8.3799 126.0642 54.8900 34.0595 174.1970 3 I 4.8767 8.7308 126.2367 59.4160 40.4116 173.9663 4 L 4.5347 8.3862 129.3389 53.6876 43.6883 175.0976 5 V 4.7509 8.7054 127.2618 61.5680 33.4274 174.1718 6 I 5.0183 8.8431 129.8721 59.8192 39.6085 174.7045 7 Q 4.8230 9.3497 126.6706 54.1826 31.1460 176.6003 8 G 4.1704 8.9900 115.4821 43.8342 0.0000 170.4747 9 P 4.3788 0.0000 0.0000 64.2499 31.6033 176.5158 10 N 4.4839 9.1433 117.2892 53.6112 38.0012 176.6171 11 L 3.9219 7.3436 118.2312 57.2019 41.8088 178.7489 12 N 4.3995 7.9696 114.6396 55.0550 35.9842 175.3594 13 M 4.3014 7.9085 118.3114 55.1932 32.6133 176.0720 14 L 3.9495 7.4575 120.4864 56.2635 42.5882 178.0986 15 G 4.2886 8.9147 115.0154 44.5633 0.0000 175.3536 16 H 4.1133 7.1718 114.2884 58.4629 28.7361 176.3141 17 R 4.3353 7.9815 114.9329 55.3559 30.7764 175.5108 18 D 4.6079 8.2067 118.0781 53.7756 39.0205 173.4753 19 P 4.6174 0.0000 0.0000 63.6213 29.1693 176.5686 20 R 4.0971 8.9650 122.7730 57.4378 30.6687 177.7693 21 L 3.9737 7.9334 117.9513 57.8092 41.9682 178.2052 22 Y 4.2479 7.8600 113.6823 58.2203 39.4381 174.2003 23 G 3.9524 7.1706 102.3386 44.5374 0.0000 173.5889 24 M 4.5676 8.5238 116.9776 55.2249 33.9638 176.2576 25 V 4.0002 7.6031 118.9790 62.3870 32.6300 176.1897 26 T 4.4756 8.0391 119.2670 59.9528 71.3684 175.8194 27 L 3.7083 8.0237 122.1381 58.1251 42.0285 178.5049 28 D 4.1485 7.8135 118.4153 57.4839 40.8602 178.5867 29 Q 4.0498 7.7450 118.0699 58.9276 28.7431 179.0891 30 I 3.5945 7.5025 120.8809 64.6311 37.0651 178.2260 31 H 3.8456 7.6500 117.0085 58.3992 28.2248 177.7114 32 E 3.9099 8.4582 120.8576 59.6667 29.3988 179.1399 33 I 3.7460 7.7099 119.6600 65.0589 37.1699 178.3503 34 M 4.4686 7.8502 120.0584 57.9365 31.7821 178.6944 35 Q 4.1297 8.2179 118.1675 59.4171 28.9029 178.8213 36 T 3.9155 8.2940 117.0563 66.9749 68.1185 176.0917 37 F 4.0736 8.4216 122.1052 61.3984 39.4817 177.3244 38 V 3.5316 8.0525 117.7760 65.8317 31.3598 178.2686 39 K 3.9665 8.3778 118.4428 59.5858 31.8926 179.1752 40 Q 4.2322 8.1804 115.2738 57.2211 28.6796 177.1782 41 G 3.7849 6.9508 106.5830 43.9115 0.0000 172.8482 42 N 4.2135 8.5991 115.8443 53.9090 36.7687 174.5072 43 L 4.1127 7.5271 117.1385 55.0805 42.5519 177.7339 44 D 4.6545 8.3062 123.2119 52.8053 39.6589 175.3705 45 V 4.7393 7.3109 118.8439 61.1055 35.2777 174.3435 46 E 4.6848 9.1033 127.4581 54.7296 31.6165 174.8431 47 L 4.8708 8.3991 124.3809 53.2314 43.5828 175.3588 48 E 4.4692 8.6728 124.3148 54.4105 31.8527 174.4155 49 F 5.4119 8.5758 125.3262 56.1335 41.3137 175.1057 50 F 5.1064 9.4154 124.6394 56.8573 43.0092 172.7578 51 Q 4.8759 8.0638 126.2004 54.5681 31.6020 173.9568 52 T 4.6435 8.4425 119.2410 61.0426 70.7345 173.1371 53 N 4.6670 9.0887 121.7250 53.3079 39.5751 175.3905 54 F 4.7498 8.7067 119.7450 55.6933 40.7850 175.7109 55 E 3.8260 9.0517 124.8006 59.6356 29.2578 179.2345 56 G 3.6934 8.1857 104.8629 47.8191 0.0000 175.4132 57 E 4.1692 8.2834 120.4323 59.1792 29.5709 179.0719 58 I 3.9267 8.0058 119.9544 64.5987 37.1474 178.5496 59 I 3.7129 7.8472 120.4082 64.4237 36.8843 177.8962 60 D 4.3813 8.4621 120.2338 57.5419 40.8426 179.2079 61 K 3.7800 8.4023 120.0202 59.4263 31.9659 178.6552 62 I 3.6769 7.6809 119.0435 64.6971 37.3172 178.0348 63 Q 4.1523 8.2929 118.7413 59.1199 28.3701 178.8163 64 E 4.0455 8.3438 118.6089 58.8519 29.1943 179.1173 65 S 4.5523 8.0653 114.0946 60.8872 62.8461 176.3966 66 V 3.7220 7.7583 122.2729 66.0547 31.4443 177.9573 67 G 3.7806 8.0414 104.8558 47.0036 0.0000 173.2586 68 S 4.5673 7.3487 114.5297 57.2375 64.7907 172.8385 69 D 4.6747 8.0493 117.5934 53.9307 39.6741 175.8501 70 Y 4.6880 7.2402 116.9799 58.2118 38.8498 175.9475 71 E 4.2914 9.3028 125.8802 58.9898 30.6025 176.8148 72 G 4.1932 7.6811 103.9669 45.6032 0.0000 172.2676 73 I 5.1910 8.7487 120.8720 59.3317 40.9445 174.7777 74 I 4.8930 8.6849 127.3591 59.6143 39.5741 174.5623 75 I 5.0506 9.2579 126.9580 59.2739 41.8513 173.3060 76 N 5.2906 9.0871 127.7850 50.5588 40.3573 172.9578 77 P 4.5455 0.0000 0.0000 62.3851 32.9676 178.1115 78 G 3.7012 8.7614 108.5214 45.9711 0.0000 175.6652 79 A 4.2224 8.3369 121.6740 54.9929 18.6833 179.3617 80 F 4.8235 7.6803 114.3391 59.8327 38.8860 177.6672 81 S 4.4462 8.4571 117.5197 61.1464 62.3740 175.7417 82 H 4.8653 7.9990 118.1734 56.3216 28.8607 176.0994 83 T 4.6829 8.0220 108.5107 61.6170 70.8719 174.7726 84 S 4.4465 8.3197 117.6523 56.6713 61.3569 173.9800 85 I 3.4145 7.6755 128.8524 63.5694 37.0564 177.3987 86 A 3.9354 7.8249 121.1818 55.4097 18.1865 179.6602 87 I 3.7026 8.0822 118.3076 64.2145 37.1426 178.3721 88 A 4.0472 8.0119 121.7743 55.4077 18.1931 179.4507 89 D 4.2600 8.5874 117.3564 57.4136 40.6921 178.6457 90 A 3.9970 7.7595 119.9500 55.4934 18.7404 179.3778 91 I 3.8181 8.1681 118.4526 64.9358 36.9502 178.6593 92 M 4.1918 7.9554 118.7250 57.5117 31.7773 177.7023 93 L 4.4605 7.8411 117.9824 55.9047 40.8136 178.1382 94 A 4.0026 7.9011 121.9162 52.9621 19.0522 177.7698 95 G 4.0094 7.5226 106.3481 45.3705 0.0000 172.7767 96 K 4.4131 7.3467 113.4950 54.7009 35.3387 173.4016 97 P 4.3593 0.0000 0.0000 63.1159 32.5789 175.3734 98 V 4.9066 8.5079 123.7395 61.0635 34.8114 173.8860 99 I 4.9360 8.8013 128.3661 59.4825 40.2191 173.9830 100 E 4.9238 8.8471 128.3470 54.9823 30.9623 174.7992 101 V 4.7135 8.6574 126.5296 61.3205 34.9606 173.7991 102 H 5.0376 9.0324 123.6468 54.0251 32.1476 173.9285 103 L 4.1690 9.1366 123.8838 57.9853 42.1434 177.7242 104 T 4.4010 7.7159 106.4568 59.9262 70.6295 174.5300 105 N 4.4527 8.1505 121.5063 52.7391 37.4868 175.4800 106 I 3.8980 7.9235 118.6973 62.6838 38.1198 177.8718 107 Q 3.9349 7.7964 119.7451 58.3388 28.5636 176.8903 108 A 4.5614 8.0477 119.2935 51.7198 19.3141 176.5295 109 R 4.7622 7.2354 118.8164 55.4435 33.1612 175.3777 110 E 3.7640 8.2565 117.0906 57.2005 30.2693 177.6522 111 E 3.7858 8.7865 122.2830 59.4244 29.5902 179.0922 112 F 4.4408 7.8620 110.8568 58.6748 37.8546 175.4989 113 R 3.9040 7.1086 119.0718 56.0451 31.0292 177.5467 114 K 4.1259 7.9006 118.0178 59.0321 32.1671 177.6435 115 N 4.1490 7.9749 117.6143 53.6753 39.4267 173.3520 116 S 4.8473 8.2495 118.3999 55.8276 64.4168 173.8466 117 Y 4.2261 8.4017 127.6776 61.3090 38.0303 178.4585 118 T 4.2049 8.2065 110.2579 64.9894 68.7364 176.4131 119 G 3.6733 8.3455 108.5903 47.3827 0.0000 175.4965 120 A 4.0535 8.0227 121.9453 54.7251 18.4544 179.1146 121 A 4.1739 7.7268 117.6311 53.5572 18.8962 177.7511 122 C 4.4501 7.0153 114.9310 58.9500 29.2198 174.0769 123 G 3.8036 8.4014 109.5594 49.4589 0.0000 173.7862 124 G 4.4133 7.7450 105.2793 45.1208 0.0000 172.1761 125 V 5.1113 8.1595 118.9801 61.1433 34.9615 174.2669 126 I 4.8706 8.9139 127.8969 59.6968 40.3952 174.3576 127 M 5.1391 8.8730 123.3819 54.7143 34.2173 175.3237 128 G 3.7085 9.1560 109.4996 45.6656 0.0000 173.6933 129 F 4.6886 8.0312 115.4381 56.1118 40.0021 177.7593 130 G 3.9343 8.0354 111.0366 45.3704 0.0000 173.0564 131 P 4.5358 0.0000 0.0000 65.5600 31.8948 178.0332 132 L 4.0580 8.3491 119.5344 58.3186 41.6850 178.9579 133 G 3.6913 8.3513 105.4827 48.1612 0.0000 175.1871 134 Y 4.0208 8.2125 118.7090 61.0246 37.4056 178.3578 135 N 3.9366 8.0250 116.9788 56.1874 38.6212 177.2138 136 M 3.8640 7.8002 120.0407 58.1422 31.9673 178.6880 137 A 3.9291 7.8077 120.9366 54.9269 18.5061 179.4678 138 L 3.9082 8.0402 117.8041 58.2653 41.7655 179.1528 139 M 4.1005 8.3803 118.0324 59.0309 32.0210 178.2171 140 A 3.9922 8.0941 120.5312 55.1173 18.4411 179.0985 141 M 3.9291 8.5281 117.1612 58.9796 32.2624 178.4532 142 V 3.6121 7.9869 118.2792 66.3600 31.6431 177.7680 143 N 4.3706 8.2668 116.0502 56.3259 38.3541 177.5860 144 I 3.7854 8.0981 121.5652 64.1817 37.2013 178.5794 145 L 3.9522 8.3149 119.9217 57.7002 41.4831 178.9782 146 A 4.0154 8.1707 121.0329 55.6301 17.8268 179.3802 147 E 3.9730 8.3373 117.1549 59.2615 29.3368 178.8959 148 M 4.1714 7.9937 119.2190 58.2512 31.8330 178.6315 149 K 4.1024 8.0876 117.1879 58.5605 32.5385 178.9201 150 A 4.1748 8.2135 121.5815 55.3267 18.1288 179.3825 151 F 4.3472 7.8414 116.9589 61.4627 39.4950 176.5039 152 Q 3.8683 7.5861 117.7705 59.6119 28.8967 177.3618 153 E 4.2059 7.6409 121.0831 56.6811 29.6488 176.7854 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 1 M 8.16 4.48 0.00 2.46 2.07 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 2 K 8.38 4.83 0.00 2.03 1.97 0.00 1.17 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.45 7.81 3 I 8.73 4.88 1.87 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 1.15 1.01 0.96 0.00 0.00 4 L 8.39 4.53 0.00 0.77 1.15 0.72 0.36 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 5 V 8.71 4.75 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 1.26 0.00 0.00 1.01 0.00 0.00 6 I 8.84 5.02 1.98 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 1.41 0.57 1.09 0.00 0.00 7 Q 9.35 4.82 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 8 G 8.99 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 0.00 0.00 0.00 9 P 0.00 4.38 0.00 1.79 1.66 0.00 3.63 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 10 N 9.14 4.48 0.00 2.79 2.87 0.00 0.00 6.91 6.05 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 11 L 7.34 3.92 0.00 1.75 1.65 1.12 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.97 4.40 0.00 2.78 3.00 0.00 0.00 6.03 7.66 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 13 M 7.91 4.30 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 14 L 7.46 3.95 0.00 1.68 1.72 0.89 0.82 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 15 G 8.91 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 0.00 0.00 0.00 0.00 16 H 7.17 4.11 0.00 3.10 3.37 0.00 5.66 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 17 R 7.98 4.34 0.00 1.79 1.96 0.00 3.53 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 18 D 8.21 4.61 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 19 P 0.00 4.62 0.00 2.13 2.13 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 R 8.97 4.10 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 21 L 7.93 3.97 0.00 1.18 1.37 1.23 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.86 4.25 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.17 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 24 M 8.52 4.57 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 25 V 7.60 4.00 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 0.84 0.00 0.00 0.94 0.00 0.00 26 T 8.04 4.48 4.02 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 1.06 0.00 0.00 27 L 8.02 3.71 0.00 1.73 1.52 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.81 4.15 0.00 2.64 2.61 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 29 Q 7.74 4.05 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 I 7.50 3.59 1.59 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.31 0.00 0.00 31 H 7.65 3.85 0.00 2.68 1.49 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.46 3.91 0.00 2.05 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 2.31 0.00 33 I 7.71 3.75 2.04 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 1.14 1.00 0.00 0.00 34 M 7.85 4.47 0.00 2.33 2.50 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.54 0.00 35 Q 8.22 4.13 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 36 T 8.29 3.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 37 F 8.42 4.07 0.00 3.30 3.31 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 38 V 8.05 3.53 2.33 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 1.12 0.00 0.00 1.14 0.00 0.00 39 K 8.38 3.97 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 40 Q 8.18 4.23 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 41 G 6.95 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 42 N 8.60 4.21 0.00 2.79 2.88 0.00 0.00 6.96 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 43 L 7.53 4.11 0.00 1.70 1.63 0.92 0.75 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 44 D 8.31 4.65 0.00 2.61 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 45 V 7.31 4.74 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 0.96 0.00 0.00 0.97 0.00 0.00 46 E 9.10 4.68 0.00 1.95 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 0.00 2.23 2.26 0.00 47 L 8.40 4.87 0.00 0.96 0.71 1.09 0.87 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 48 E 8.67 4.47 0.00 2.15 1.72 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 2.24 2.34 0.00 49 F 8.58 5.41 0.00 2.96 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 50 F 9.42 5.11 0.00 3.06 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 51 Q 8.06 4.88 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 52 T 8.44 4.64 3.90 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 1.35 0.00 0.00 53 N 9.09 4.67 0.00 2.61 2.65 0.00 0.00 6.89 7.45 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 54 F 8.71 4.75 0.00 3.19 3.10 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 0.00 0.00 0.00 55 E 9.05 3.83 0.00 1.24 1.74 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 2.13 1.70 0.00 56 G 8.19 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 57 E 8.28 4.17 0.00 2.37 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 2.62 2.43 0.00 58 I 8.01 3.93 2.16 0.00 0.00 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 1.73 0.99 1.04 0.00 0.00 59 I 7.85 3.71 2.00 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 1.52 0.83 0.91 0.00 0.00 60 D 8.46 4.38 0.00 2.95 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 61 K 8.40 3.78 0.00 1.93 1.76 0.00 1.40 0.00 0.00 0.85 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.22 7.81 62 I 7.68 3.68 2.00 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 1.54 0.82 0.92 0.00 0.00 63 Q 8.29 4.15 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 E 8.34 4.05 0.00 2.00 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 2.32 2.36 0.00 65 S 8.07 4.55 0.00 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.76 3.72 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 0.84 0.00 0.00 1.02 0.00 0.00 67 G 8.04 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 68 S 7.35 4.57 0.00 3.85 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 69 D 8.05 4.67 0.00 2.69 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 70 Y 7.24 4.69 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.30 4.29 0.00 1.89 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 2.37 2.44 0.00 72 G 7.68 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 0.00 0.00 0.00 73 I 8.75 5.19 1.87 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 1.12 0.79 0.96 0.00 0.00 74 I 8.68 4.89 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 1.02 0.00 0.00 75 I 9.26 5.05 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.93 1.01 0.00 0.00 76 N 9.09 5.29 0.00 2.85 3.00 0.00 0.00 7.10 7.22 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 77 P 0.00 4.55 0.00 2.41 2.21 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 78 G 8.76 3.70 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 0.00 0.00 0.00 79 A 8.34 4.22 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 80 F 7.68 4.82 0.00 3.22 3.01 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 81 S 8.46 4.45 0.00 3.58 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 82 H 8.00 4.87 0.00 3.30 3.53 0.00 5.56 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.02 4.68 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 1.36 0.00 0.00 84 S 8.32 4.45 0.00 3.81 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 85 I 7.68 3.41 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.73 0.00 0.00 86 A 7.82 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 87 I 8.08 3.70 1.91 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 1.48 0.59 0.98 0.00 0.00 88 A 8.01 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.26 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 90 A 7.76 4.00 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 91 I 8.17 3.82 2.06 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 1.55 1.02 0.94 0.00 0.00 92 M 7.96 4.19 0.00 2.01 2.33 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 2.66 2.56 0.00 93 L 7.84 4.46 0.00 1.93 1.89 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 4.00 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 95 G 7.52 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 96 K 7.35 4.41 0.00 2.02 1.77 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.27 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.43 7.81 97 P 0.00 4.36 0.00 2.11 2.04 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 98 V 8.51 4.91 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 1.09 0.00 0.00 1.00 0.00 0.00 99 I 8.80 4.94 1.86 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 1.11 0.69 0.88 0.00 0.00 100 E 8.85 4.92 0.00 2.07 1.80 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 2.09 2.32 0.00 101 V 8.66 4.71 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 0.06 0.00 0.00 0.62 0.00 0.00 102 H 9.03 5.04 0.00 3.09 3.21 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 0.00 103 L 9.14 4.17 0.00 1.77 1.84 1.15 0.94 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 0.00 104 T 7.72 4.40 4.02 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 0.78 0.00 0.00 105 N 8.15 4.45 0.00 2.58 2.64 0.00 0.00 6.66 7.95 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 0.00 106 I 7.92 3.90 1.99 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 1.26 0.61 0.86 0.00 0.00 107 Q 7.80 3.93 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 108 A 8.05 4.56 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 0.00 109 R 7.24 4.76 0.00 1.58 1.67 0.00 3.06 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 110 E 8.26 3.76 0.00 1.16 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 2.21 2.17 0.00 111 E 8.79 3.79 0.00 1.99 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 2.38 2.38 0.00 112 F 7.86 4.44 0.00 3.08 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 0.00 113 R 7.11 3.90 0.00 1.62 1.74 0.00 3.05 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.00 114 K 7.90 4.13 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.42 7.81 115 N 7.97 4.15 0.00 2.67 2.57 0.00 0.00 6.56 7.63 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 0.00 116 S 8.25 4.85 0.00 3.89 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 0.00 117 Y 8.40 4.23 0.00 3.23 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 0.00 118 T 8.21 4.20 4.32 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 1.33 0.00 0.00 119 G 8.35 3.67 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 0.00 0.00 0.00 120 A 8.02 4.05 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 0.00 121 A 7.73 4.17 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 0.00 122 C 7.02 4.45 0.00 3.10 3.10 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 0.00 0.00 0.00 123 G 8.40 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.74 4.41 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 0.00 125 V 8.16 5.11 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 0.90 0.00 0.00 0.95 0.00 0.00 126 I 8.91 4.87 1.81 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 1.23 0.62 0.95 0.00 0.00 127 M 8.87 5.14 0.00 2.00 2.12 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 2.50 2.52 0.00 128 G 9.16 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 0.00 129 F 8.03 4.69 0.00 2.97 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 0.00 130 G 8.04 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 0.00 131 P 0.00 4.54 0.00 2.24 2.15 0.00 3.69 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 2.14 2.13 0.00 132 L 8.35 4.06 0.00 1.79 2.01 0.86 1.06 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 0.00 133 G 8.35 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 0.00 134 Y 8.21 4.02 0.00 3.23 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 0.00 135 N 8.02 3.94 0.00 2.49 1.59 0.00 0.00 7.15 7.66 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 0.00 136 M 7.80 3.86 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 137 A 7.81 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.04 3.91 0.00 1.73 1.88 1.08 1.18 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 0.00 139 M 8.38 4.10 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 140 A 8.09 3.99 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 0.00 141 M 8.53 3.93 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 142 V 7.99 3.61 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.04 0.00 0.00 143 N 8.27 4.37 0.00 2.94 2.86 0.00 0.00 7.06 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 0.00 144 I 8.10 3.79 2.05 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 1.53 0.69 0.92 0.00 0.00 145 L 8.31 3.95 0.00 1.70 1.74 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.17 4.02 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 0.00 147 E 8.34 3.97 0.00 2.26 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 2.29 2.36 0.00 148 M 7.99 4.17 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 149 K 8.09 4.10 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.66 7.81 150 A 8.21 4.17 1.45 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 0.00 0.00 151 F 7.84 4.35 0.00 3.02 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 0.00 152 Q 7.59 3.87 0.00 2.08 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 153 E 7.64 4.21 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00