NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4277 8.3044 120.3509 55.4242 33.3986 174.6060 2 E 4.4019 8.5156 125.5010 54.3513 32.5123 172.5006 3 L 4.6512 9.3336 127.5608 53.1868 44.3002 175.2785 4 I 4.4664 8.3400 123.6930 59.4479 39.1302 174.7892 5 R 4.6332 8.5701 125.7261 54.5037 31.5565 174.9335 6 F 4.9965 7.9377 118.2027 55.7832 40.8587 173.4828 7 S 4.7647 8.5267 117.4234 56.9947 64.8900 173.7382 8 I 4.7533 7.8104 114.4751 59.4144 40.4327 174.4646 9 S 4.7162 8.5820 117.2662 56.8055 64.9851 173.7741 10 I 4.5113 8.0463 125.4473 58.1191 40.0128 174.2339 11 P 4.2169 0.0000 0.0000 63.0237 32.2672 177.2713 12 S 4.1167 8.8681 118.2711 62.0057 62.7141 177.1125 13 K 4.0177 7.9945 121.5390 58.4977 31.7359 179.1062 14 L 3.9294 7.7985 120.4397 58.0197 42.0841 178.4723 15 L 4.0046 8.1280 120.5436 58.2195 42.1436 178.4906 16 E 3.9268 8.3720 119.2471 59.2256 29.5508 178.7515 17 K 3.9854 8.1879 119.6899 59.2819 32.2546 178.5264 18 F 4.2515 8.6026 121.3149 61.6135 39.2247 176.8360 19 D 4.1298 8.4501 118.7634 57.2644 40.4265 178.6388 20 Q 3.9245 7.9368 119.6427 59.1168 28.9721 178.4334 21 I 3.7063 7.6772 121.0021 64.4434 37.2435 178.4895 22 I 3.6694 7.4364 113.8343 63.8784 36.7052 177.8737 23 E 3.8800 7.8544 121.2385 59.0761 29.2874 178.2993 24 E 3.9818 7.6594 118.2519 59.4239 29.7776 178.4864 25 I 3.9127 7.8582 119.1377 64.7838 37.2758 176.1021 26 G 3.5651 7.2623 104.4061 45.1064 0.0000 173.6725 27 Y 4.1114 7.9237 118.7946 57.7822 38.4132 176.3455 28 E 4.1616 8.8765 123.0711 59.2907 30.3176 177.1451 29 N 4.7030 7.6859 113.8264 50.7086 40.9246 175.1596 30 R 3.8460 8.4117 120.9572 59.8113 30.0734 178.7612 31 S 4.1015 8.0855 114.3931 61.5290 62.9159 176.1128 32 E 3.9643 8.9381 122.1637 59.2546 29.4412 178.7345 33 A 3.5928 7.8365 120.3911 55.0745 18.3017 179.7488 34 I 3.7244 8.0675 118.4728 64.5572 37.1509 178.8887 35 R 3.9955 8.2555 119.0387 59.3101 29.8223 178.8458 36 D 4.4525 8.2486 118.7982 57.3700 40.7679 178.8025 37 L 4.0602 8.0197 119.5137 57.9048 41.6158 179.6763 38 I 3.8116 8.0517 119.8751 64.3627 36.9625 178.7534 39 R 4.0285 8.3313 119.1696 59.1564 29.8372 178.5370 40 D 4.3585 8.3957 117.9694 57.4028 41.3848 178.0359 41 F 4.1885 8.5474 121.2467 61.5220 39.4248 177.1996 42 I 3.7716 8.1013 119.4643 64.2741 36.6592 178.5232 43 I 3.8418 7.8647 120.0886 64.4265 37.3830 178.2979 44 R 4.0691 8.2091 119.0849 59.6371 29.9128 178.6666 45 H 4.2591 8.0306 117.6070 59.0295 29.5326 176.9211 46 E 4.0063 7.9196 120.5335 58.7462 29.5398 178.2047 47 W 4.1613 8.0491 116.8471 57.9900 29.3498 177.6249 48 E 4.3341 7.8859 117.6480 56.6897 30.2323 176.2747 49 V 4.2012 7.3228 116.7676 61.9596 33.9894 174.4486 50 G 4.2903 8.8937 110.5473 45.9433 0.0000 172.7228 51 N 4.9066 8.2044 112.8580 52.0850 40.5520 174.8714 52 E 3.9751 7.9463 117.2540 56.3044 30.0260 175.7178 53 E 4.3741 8.4832 122.0428 56.5482 30.6032 175.9399 54 V 4.5685 8.6471 119.0560 59.3919 36.1963 173.9523 55 A 5.2248 8.4813 120.8101 51.0565 23.0307 175.4049 56 G 4.6382 9.0232 106.3063 46.0598 0.0000 172.0517 57 T 5.3414 8.5896 108.7783 59.8398 72.6871 173.3119 58 I 4.8790 8.8298 124.1409 60.1276 40.4780 174.3978 59 T 5.1444 8.8165 125.1662 61.9480 70.3127 174.2328 60 I 5.2205 8.9833 119.3810 59.2012 41.8064 174.2940 61 V 4.8953 8.6753 122.8009 61.5682 34.9632 173.8202 62 Y 5.0590 8.1326 123.6546 56.2856 42.1663 172.8133 63 N 5.8799 9.0268 119.1691 51.6009 39.6486 175.2985 64 H 4.6038 9.2253 122.8786 58.0802 28.8720 175.9427 65 D 4.5444 8.2299 119.1263 54.8928 40.8863 175.9893 66 E 4.1743 8.3877 122.4156 56.5914 31.0609 176.1237 67 G 4.0359 8.2456 116.1200 47.1674 0.0000 173.2078 68 D 4.9815 8.3647 121.4496 52.4273 40.0411 178.4705 69 V 3.4886 7.5551 121.9944 65.8314 31.1515 177.6430 70 V 3.3694 7.6708 118.3817 65.5727 31.3909 177.7960 71 K 3.9247 7.9689 118.5076 59.3332 32.1623 178.3925 72 A 3.9839 8.2608 121.4352 55.0726 18.2064 179.5904 73 L 3.8867 8.2396 117.7668 57.9073 41.6634 179.6409 74 L 4.0356 7.7385 118.5676 58.0486 41.3863 179.3361 75 D 4.3836 7.9517 117.2018 57.3411 41.0867 178.6420 76 L 4.2451 8.0252 119.2533 58.0987 41.6756 179.6436 77 Q 4.1470 8.3822 118.0475 59.3745 28.5059 178.3607 78 H 4.2894 8.5412 115.4487 57.5441 28.8140 176.5493 79 E 4.1148 7.9636 120.4166 57.1740 30.5387 175.4892 80 Y 4.8128 7.9693 116.6998 57.1760 38.6788 177.2724 81 L 4.0728 8.0784 120.4752 57.9531 42.2942 179.1795 82 D 4.5353 8.1119 117.2282 56.3891 41.4036 176.9551 83 E 4.9455 8.1334 117.1727 57.0068 30.6264 176.0397 84 I 4.5013 7.6918 120.1421 61.0203 37.7439 175.6192 85 I 4.1609 8.5846 127.5520 63.2004 37.7351 175.9977 86 S 4.7421 7.5790 113.8156 58.1001 65.7513 174.0527 87 S 5.1315 8.5992 113.3554 56.7562 66.0543 172.9213 88 L 4.7634 8.9547 124.0630 53.6047 44.2585 174.3858 89 H 5.3584 8.8740 125.3652 54.3111 32.6871 172.7133 90 V 4.3094 8.7042 124.9486 61.3536 34.5324 174.3063 91 H 4.8923 8.7494 125.4977 55.1456 28.2503 175.2348 92 M 4.1830 8.6983 125.4792 57.8243 31.9033 176.3391 93 D 4.6180 7.5829 115.0942 52.0681 42.1241 174.5495 94 E 3.7378 8.8641 118.8622 59.4883 29.6549 177.4087 95 H 4.8790 8.2352 113.8661 55.9751 32.1305 174.1890 96 N 5.2873 9.6234 117.1763 52.1143 40.4492 174.2874 97 C 5.1948 8.9194 120.5623 57.6622 32.0788 172.5473 98 L 4.9951 8.5303 124.2571 53.1853 44.5642 174.7431 99 E 5.2653 9.2638 126.6332 54.3423 33.5087 174.1739 100 V 4.8926 8.9722 126.1639 60.0153 34.3383 174.2390 101 I 4.7722 8.9120 126.7139 59.5091 39.4669 174.7088 102 V 4.5735 8.5909 127.6490 61.9285 32.9515 175.1294 103 V 5.0583 9.0578 120.7729 59.6505 36.1012 174.6056 104 K 4.8095 9.4470 124.3646 53.9354 35.7844 176.2448 105 G 4.0483 7.7823 113.7106 45.6031 0.0000 170.9229 106 E 4.2304 8.0156 120.4541 55.4509 31.5337 176.8900 107 A 3.2586 8.2088 125.8158 55.2332 18.3577 180.2829 108 K 3.9119 7.9230 116.4870 59.9819 32.5542 179.0631 109 K 3.9382 7.8714 120.2145 59.4479 32.3007 178.7911 110 I 3.7255 7.8445 120.1243 64.3234 36.9587 178.6465 111 K 4.1156 8.4757 119.5633 59.4534 31.7757 179.1683 112 M 4.0274 7.9244 118.3887 58.5800 32.1907 178.2529 113 I 3.2545 7.6372 119.7624 64.2340 37.1719 178.3024 114 A 3.9849 8.1031 121.5386 55.0155 18.2042 179.2740 115 D 4.2905 8.1359 117.4833 57.6220 40.7504 179.2782 116 K 3.9909 7.9153 117.3138 59.4221 32.2376 179.2363 117 L 4.1280 7.9110 119.0980 57.9643 41.4198 179.6971 118 L 4.1121 8.1635 117.9981 57.2647 41.6219 178.8395 119 S 4.3991 7.9127 111.9044 58.0809 64.0151 174.5309 120 L 4.0924 7.3116 124.4246 54.5634 42.1091 177.7701 121 K 3.8700 8.9348 124.8672 59.6001 32.1985 178.3760 122 G 3.6368 7.9694 105.7142 47.8769 0.0000 173.5618 123 V 3.9688 7.3132 120.0356 62.7799 31.6385 175.6292 124 K 4.2372 8.8864 127.9241 58.9847 32.7812 177.1995 125 H 5.0142 7.7649 114.7331 54.2064 33.4135 172.8185 126 G 4.8097 8.4529 105.6187 46.4859 0.0000 172.6255 127 K 4.5481 7.8221 119.7458 55.1421 35.7264 173.6884 128 L 4.8105 8.5264 129.4213 53.8953 43.7569 175.3532 129 V 4.2012 8.9528 126.4040 61.4065 33.7177 173.9975 130 M 3.8499 8.1542 127.7807 54.3148 32.3322 175.0825 131 T 4.6282 8.9704 120.1702 61.1415 71.1538 172.0589 132 S 4.8114 8.8097 113.4960 56.7739 65.8727 174.8438 133 T 4.1336 8.3941 111.6320 61.7359 69.3688 176.9163 134 G 4.0639 9.2420 112.2798 45.8469 0.0000 175.6254 135 K 3.7932 7.7492 120.3582 59.4996 32.0390 177.1449 136 E 4.5009 8.0795 113.1502 55.9306 29.6365 174.7806 137 L 4.9081 7.6707 118.6695 53.4323 45.7891 177.0495 138 V 3.9732 8.1563 111.5320 62.7387 32.5008 171.9885 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 8.30 4.43 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 E 8.52 4.40 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 3 L 9.33 4.65 0.00 1.69 1.60 0.94 0.88 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 4 I 8.34 4.47 1.96 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 1.34 0.62 1.01 0.00 0.00 5 R 8.57 4.63 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 6 F 7.94 5.00 0.00 3.14 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 7 S 8.53 4.76 0.00 3.89 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 8 I 7.81 4.75 1.90 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 1.32 0.56 1.11 0.00 0.00 9 S 8.58 4.72 0.00 3.83 3.79 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 10 I 8.05 4.51 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.84 0.00 0.00 11 P 0.00 4.22 0.00 2.13 1.99 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 12 S 8.87 4.12 0.00 4.04 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 13 K 7.99 4.02 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 L 7.80 3.93 0.00 1.74 1.83 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.13 4.00 0.00 1.79 1.84 1.01 1.17 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 16 E 8.37 3.93 0.00 2.09 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 2.32 2.33 0.00 17 K 8.19 3.99 0.00 1.95 2.01 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 18 F 8.60 4.25 0.00 3.14 3.23 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 19 D 8.45 4.13 0.00 2.69 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 20 Q 7.94 3.92 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 21 I 7.68 3.71 1.94 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 1.58 0.73 0.92 0.00 0.00 22 I 7.44 3.67 1.54 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 -0.08 0.00 0.00 23 E 7.85 3.88 0.00 1.96 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 2.29 2.30 0.00 24 E 7.66 3.98 0.00 2.07 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 2.32 2.35 0.00 25 I 7.86 3.91 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.91 0.00 0.00 26 G 7.26 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.11 0.00 3.01 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 28 E 8.88 4.16 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 2.31 2.30 0.00 29 N 7.69 4.70 0.00 2.94 2.87 0.00 0.00 5.90 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 30 R 8.41 3.85 0.00 1.89 1.98 0.00 3.20 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 1.80 1.95 0.00 31 S 8.09 4.10 0.00 4.08 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 32 E 8.94 3.96 0.00 2.23 2.21 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 2.43 2.56 0.00 33 A 7.84 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.07 3.72 1.88 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 1.42 0.90 0.88 0.00 0.00 35 R 8.26 4.00 0.00 2.05 2.04 0.00 3.18 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 36 D 8.25 4.45 0.00 3.04 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 37 L 8.02 4.06 0.00 1.87 1.69 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.05 3.81 2.07 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 1.50 0.90 0.99 0.00 0.00 39 R 8.33 4.03 0.00 2.09 2.05 0.00 3.19 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 1.71 1.81 0.00 40 D 8.40 4.36 0.00 2.86 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 41 F 8.55 4.19 0.00 3.14 3.24 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 42 I 8.10 3.77 2.10 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 1.64 1.24 0.96 0.00 0.00 43 I 7.86 3.84 2.09 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 1.62 0.70 1.05 0.00 0.00 44 R 8.21 4.07 0.00 1.91 1.91 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 45 H 8.03 4.26 0.00 2.93 3.33 0.00 5.78 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 46 E 7.92 4.01 0.00 2.27 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 2.22 2.41 0.00 47 W 8.05 4.16 0.00 3.46 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.89 4.33 0.00 1.96 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 2.28 2.60 0.00 49 V 7.32 4.20 1.89 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 0.76 0.00 0.00 0.86 0.00 0.00 50 G 8.89 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 51 N 8.20 4.91 0.00 2.62 2.73 0.00 0.00 6.81 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 52 E 7.95 3.98 0.00 2.05 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 2.24 2.32 0.00 53 E 8.48 4.37 0.00 1.94 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 2.22 2.27 0.00 54 V 8.65 4.57 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 -0.37 0.00 0.00 55 A 8.48 5.22 1.26 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 0.00 0.00 56 G 9.02 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.59 5.34 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 1.24 0.00 0.00 58 I 8.83 4.88 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 1.23 0.68 0.92 0.00 0.00 59 T 8.82 5.14 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 60 I 8.98 5.22 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.96 0.00 0.00 61 V 8.68 4.90 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 1.05 0.00 0.00 0.93 0.00 0.00 62 Y 8.13 5.06 0.00 3.19 3.03 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 63 N 9.03 5.88 0.00 2.82 2.79 0.00 0.00 7.44 7.89 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 64 H 9.23 4.60 0.00 3.49 3.73 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.23 4.54 0.00 2.79 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 66 E 8.39 4.17 0.00 2.02 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 2.30 2.25 0.00 67 G 8.25 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.36 4.98 0.00 2.81 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 69 V 7.56 3.49 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 0.84 0.00 0.00 0.64 0.00 0.00 70 V 7.67 3.37 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 1.05 0.00 0.00 1.09 0.00 0.00 71 K 7.97 3.92 0.00 1.85 1.90 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.49 7.81 72 A 8.26 3.98 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 73 L 8.24 3.89 0.00 1.70 1.66 0.17 0.51 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 74 L 7.74 4.04 0.00 1.88 1.73 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.95 4.38 0.00 2.80 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 76 L 8.03 4.25 0.00 1.92 1.82 0.97 0.73 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 77 Q 8.38 4.15 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 78 H 8.54 4.29 0.00 3.21 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.96 4.11 0.00 2.01 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 0.00 1.47 2.05 0.00 80 Y 7.97 4.81 0.00 3.08 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 81 L 8.08 4.07 0.00 1.63 1.75 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.11 4.54 0.00 2.70 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 83 E 8.13 4.95 0.00 2.14 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 2.36 2.35 0.00 84 I 7.69 4.50 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 1.31 0.52 0.93 0.00 0.00 85 I 8.58 4.16 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.92 0.00 0.00 86 S 7.58 4.74 0.00 3.84 3.94 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 87 S 8.60 5.13 0.00 3.94 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 88 L 8.95 4.76 0.00 1.76 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.87 5.36 0.00 3.18 3.07 0.00 5.74 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 90 V 8.70 4.31 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 0.98 0.00 0.00 0.90 0.00 0.00 91 H 8.75 4.89 0.00 3.20 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.70 4.18 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 93 D 7.58 4.62 0.00 2.84 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 94 E 8.86 3.74 0.00 1.88 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 1.95 2.26 0.00 95 H 8.24 4.88 0.00 3.16 3.23 0.00 5.65 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 96 N 9.62 5.29 0.00 2.71 2.67 0.00 0.00 6.66 7.54 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 97 C 8.92 5.19 0.00 1.68 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 0.00 0.00 0.00 0.00 98 L 8.53 5.00 0.00 1.56 1.37 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.26 5.27 0.00 2.05 1.85 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 2.26 2.41 0.00 100 V 8.97 4.89 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 0.81 0.00 0.00 0.94 0.00 0.00 101 I 8.91 4.77 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.93 0.00 0.00 102 V 8.59 4.57 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 0.98 0.00 0.00 0.95 0.00 0.00 103 V 9.06 5.06 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 0.69 0.00 0.00 1.08 0.00 0.00 104 K 9.45 4.81 0.00 1.75 1.59 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.39 7.81 105 G 7.78 4.05 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 0.00 106 E 8.02 4.23 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 107 A 8.21 3.26 1.02 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 0.00 0.00 108 K 7.92 3.91 0.00 1.96 2.08 0.00 1.45 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 109 K 7.87 3.94 0.00 1.84 1.90 0.00 1.75 0.00 0.00 2.05 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.64 7.81 110 I 7.84 3.73 2.10 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 1.16 0.00 0.00 111 K 8.48 4.12 0.00 1.87 1.93 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 2.07 7.81 112 M 7.92 4.03 0.00 2.24 2.07 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 2.65 2.69 0.00 113 I 7.64 3.25 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.66 0.00 0.00 114 A 8.10 3.98 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 0.00 115 D 8.14 4.29 0.00 2.91 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 0.00 116 K 7.92 3.99 0.00 1.85 1.91 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.68 7.81 117 L 7.91 4.13 0.00 1.69 1.71 0.91 0.55 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 0.00 118 L 8.16 4.11 0.00 1.62 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.91 4.40 0.00 4.04 4.04 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 0.00 120 L 7.31 4.09 0.00 1.96 1.60 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.93 3.87 0.00 1.68 1.84 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 122 G 7.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.31 3.97 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 0.87 0.00 0.00 1.01 0.00 0.00 124 K 8.89 4.24 0.00 1.53 1.56 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.57 7.81 125 H 7.76 5.01 0.00 3.03 3.11 0.00 5.67 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 0.00 126 G 8.45 4.81 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 0.00 0.00 0.00 127 K 7.82 4.55 0.00 1.84 1.58 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.42 7.81 128 L 8.53 4.81 0.00 1.63 1.46 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.95 4.20 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 0.86 0.00 0.00 0.89 0.00 0.00 130 M 8.15 3.85 0.00 0.51 1.18 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.00 131 T 8.97 4.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 132 S 8.81 4.81 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.39 4.13 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 1.26 0.00 0.00 134 G 9.24 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.75 3.79 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.41 7.81 136 E 8.08 4.50 0.00 2.12 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 2.25 2.37 0.00 137 L 7.67 4.91 0.00 1.65 1.63 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.16 3.97 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 0.60 0.00 0.00 0.96 0.00 0.00