NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3826 8.3044 120.3498 54.9561 33.5994 175.2726 2 D 4.2672 8.3483 123.6550 53.5308 42.5762 175.7912 3 A 3.9918 9.4962 129.7898 55.2292 18.7711 179.2999 4 R 3.9762 8.1455 116.2085 59.5232 30.1577 179.0196 5 I 3.7248 7.5797 118.7969 64.5053 37.2575 178.2892 6 V 3.6262 7.9031 119.0077 66.3277 31.1635 177.8753 7 N 4.3320 9.2231 116.9703 56.2066 38.2940 177.2145 8 A 3.9657 8.5886 122.8422 55.0332 18.3788 179.4292 9 L 3.9171 8.4427 119.1812 58.2945 42.1942 178.8089 10 I 3.8001 7.8132 119.9200 64.7394 37.0808 178.3650 11 G 3.6963 8.3276 106.2004 48.0583 0.0000 175.7730 12 S 4.1515 7.8857 117.6139 61.3611 62.8774 177.0379 13 V 3.5929 7.9851 120.9660 66.5448 31.1085 176.8268 14 Y 3.9040 8.4714 119.8260 60.1813 38.5458 177.4340 15 E 4.0144 9.1239 119.1493 60.0376 29.7486 179.9673 16 T 3.8314 7.9290 115.4169 66.5763 68.1964 176.4579 17 I 3.9481 7.6850 113.0527 62.1625 37.6270 177.5769 18 R 4.3487 7.2857 122.8535 58.6908 30.0082 177.8270 19 D 4.3441 7.8242 117.3570 56.7417 40.8855 178.3552 20 V 3.8908 7.7784 117.8838 64.8597 31.9901 176.8462 21 L 4.2185 7.5074 115.6070 54.7042 42.1603 177.9534 22 G 4.4188 8.2654 105.4205 46.0165 0.0000 172.8478 23 I 4.4242 7.0673 112.5298 58.4509 40.0269 174.4623 24 E 4.0206 8.4908 123.5284 55.1784 29.7158 174.9844 25 P 4.4064 0.0000 0.0000 62.4226 33.0276 176.2805 26 K 4.4418 8.3496 122.1957 54.1531 32.7836 174.3504 27 T 3.8322 8.4896 120.2606 62.3079 67.9594 173.8643 28 G 4.2143 8.9656 117.0875 45.5645 0.0000 171.9152 29 K 4.5903 8.4800 123.0906 54.2515 33.2987 176.2122 30 P 4.5747 0.0000 0.0000 63.6350 32.4109 175.6398 31 S 4.4831 8.2098 111.3079 57.9807 66.5691 175.3240 32 T 4.8191 8.8022 124.6647 63.4312 69.0919 174.3188 33 V 4.6479 8.5476 124.6049 60.0219 34.2237 175.8721 34 S 4.3273 8.8879 116.6099 60.7309 63.5699 173.1007 35 H 4.7791 7.7626 113.6374 54.0621 31.2594 171.7450 36 I 4.1697 7.9894 119.1694 59.6110 39.0620 174.9165 37 E 4.2981 8.5224 125.5119 55.0471 30.3841 176.0798 38 I 4.3053 8.0362 124.6811 59.0428 37.8192 173.7991 39 P 4.3351 0.0000 0.0000 64.4370 31.7723 176.5809 40 H 4.9227 7.5692 115.0129 54.7898 31.1981 174.7832 41 S 4.8586 8.6152 114.1497 58.4226 65.2950 173.2135 42 L 5.1504 7.8078 118.6937 53.2561 45.2605 175.8031 43 V 4.6265 9.0181 123.8728 60.0580 34.8394 174.6386 44 T 4.7850 8.3873 120.8926 61.5594 71.5051 173.3750 45 V 4.6818 8.1730 124.0497 61.0998 35.0527 174.1456 46 I 4.7040 8.7303 128.1929 59.4495 40.4139 175.6754 47 G 4.2990 8.6788 114.0975 45.9391 0.0000 172.1872 48 I 5.3814 8.2486 120.2709 59.8062 41.8865 174.7162 49 T 4.8194 9.1596 115.7049 59.1014 72.5975 174.7782 50 G 4.0632 9.1755 108.2913 43.7483 0.0000 175.5934 51 G 3.9421 9.4616 113.1723 47.7091 0.0000 173.0164 52 I 4.9074 7.5291 111.8325 58.6116 40.5821 173.9599 53 E 5.4954 8.7113 122.5675 53.6967 32.3720 174.3855 54 G 4.1960 7.7929 116.1954 45.3514 0.0000 174.7607 55 S 4.7492 8.3692 122.9860 57.5155 66.8097 172.6417 56 L 5.0602 8.7994 121.4702 53.4506 45.0412 175.0435 57 I 4.9897 8.8295 126.8373 59.6003 40.8019 174.1212 58 Y 5.2289 7.9404 124.6786 55.3520 41.2428 174.3666 59 S 4.7655 8.2348 114.6111 56.5126 67.5532 172.0854 60 F 3.9959 7.6391 113.5537 55.8574 40.7265 173.2935 61 S 4.6298 8.3089 114.3796 58.4361 63.6346 175.5070 62 S 4.2592 8.6145 115.8985 61.5762 62.4002 176.6757 63 E 3.9873 8.1569 120.9147 59.7805 29.2228 179.3581 64 T 3.9348 7.9012 115.0314 66.0683 68.4178 176.8005 65 A 3.6577 7.6395 122.4713 55.0419 18.3680 179.5000 66 L 3.8102 7.7306 117.1234 58.0110 41.9030 179.6727 67 K 3.5513 7.5854 118.1203 59.6584 31.8500 179.2479 68 V 3.7958 7.7606 118.2607 65.9596 31.4658 178.0285 69 V 3.3772 7.9735 117.9772 66.2448 31.1792 177.9447 70 S 4.1137 8.1895 111.1894 61.5227 62.0916 175.7872 71 A 4.1634 7.5093 122.2505 55.2519 18.3677 179.2484 72 M 4.3966 7.9756 117.1201 58.2725 31.7252 177.8789 73 M 4.4959 7.8196 117.0043 55.4809 32.0604 176.0950 74 G 4.3075 7.7244 111.6954 43.7907 0.0000 176.0904 75 G 5.0889 7.9502 119.4947 46.5639 0.0000 172.5259 76 M 3.7813 7.9710 116.6484 55.4868 31.1157 175.9760 77 E 4.1253 8.5914 123.2396 56.8864 30.4548 174.3329 78 Y 4.4298 7.2214 120.4151 57.1823 41.3085 172.2414 79 N 4.6961 8.0239 120.7890 53.4542 40.8562 174.3017 80 Q 4.3861 8.4241 115.3595 53.6442 31.4221 176.5022 81 L 4.4859 8.4386 128.8083 54.1679 40.6730 177.8843 82 D 4.7283 7.7049 118.9225 53.4535 41.9963 175.3491 83 E 4.1011 8.7128 117.2453 60.1718 29.6827 178.6604 84 L 3.9817 7.9409 119.9036 58.1116 41.9386 178.6394 85 A 3.9497 7.9898 119.6296 55.3979 18.2354 179.6777 86 L 4.0253 7.9088 116.8567 58.0369 41.6870 179.9462 87 S 4.1540 8.0060 114.5227 61.3138 62.7023 175.9682 88 A 3.9594 8.3932 124.0836 55.2832 18.0866 179.3857 89 I 3.8870 7.7789 117.3263 64.7827 37.4233 178.8622 90 G 3.7691 8.3390 106.2566 47.9220 0.0000 175.2810 91 E 3.9997 8.7015 121.8174 58.7960 29.7374 178.3807 92 L 4.0433 8.3929 120.9995 58.4299 42.0915 179.3657 93 G 4.2794 8.4012 106.8383 47.0518 0.0000 175.0870 94 N 4.3694 8.4388 119.3738 56.9524 39.0102 176.9506 95 M 4.0964 8.4358 120.2654 58.4394 31.5353 179.0149 96 T 3.9065 8.0008 116.6769 66.2040 68.7564 176.6509 97 A 4.2265 8.4732 123.0707 54.9438 18.1847 179.8211 98 G 3.6186 8.3675 104.7656 48.1256 0.0000 176.1372 99 K 4.0445 8.0492 121.1896 58.8678 32.1397 179.2624 100 L 4.2558 8.6307 122.2506 57.3813 41.8095 178.9190 101 A 3.9608 8.5545 121.0819 55.5544 18.1986 179.5077 102 M 3.9828 7.7600 117.2058 58.5719 32.1229 179.2728 103 K 3.8304 8.1730 118.5708 59.2413 32.0924 179.4384 104 L 4.1391 7.9028 119.2139 57.1655 41.4768 179.1099 105 E 4.1802 7.6824 121.0133 59.0790 29.4189 178.2693 106 H 4.2113 7.5326 114.7033 59.1159 28.9790 177.1739 107 L 4.2944 7.2786 115.5146 55.3750 41.5390 177.9342 108 G 3.7926 8.5158 108.3122 44.7235 0.0000 173.8547 109 K 4.1863 8.7378 121.4544 55.3018 33.0693 175.9738 110 H 4.8319 8.4463 124.1400 55.0626 29.0368 174.9438 111 V 4.9936 8.2785 115.7249 59.3981 35.4134 174.8958 112 D 5.0446 8.7481 121.8512 52.6978 43.9954 175.1554 113 I 4.8019 8.3260 123.2975 60.3095 38.7164 175.4242 114 T 4.4278 8.2718 121.2262 60.4901 68.5658 172.5801 115 P 4.6771 0.0000 0.0000 61.7972 32.2354 174.4302 116 P 4.7618 0.0000 0.0000 62.8479 33.2700 175.7213 117 T 4.4116 8.3017 114.5066 60.5124 70.1902 172.5551 118 V 4.4243 8.4057 129.6504 61.7911 32.6507 175.0805 119 V 4.6331 8.9385 128.3613 61.2062 34.4564 174.4903 120 S 5.2650 7.8313 120.1091 56.8712 65.7975 173.1960 121 G 3.8946 8.2346 109.7272 47.1695 0.0000 172.2043 122 R 3.8544 8.9233 124.6103 57.8348 27.9966 178.4971 123 D 4.4987 9.2115 120.9155 54.0191 40.5591 173.3812 124 L 4.6889 8.0239 125.2333 52.8451 43.5002 176.6930 125 K 4.5964 8.2679 120.6441 54.7293 36.0102 175.5198 126 I 4.4769 8.1537 122.0259 58.8535 40.9050 174.7094 127 K 4.2187 8.3476 124.7122 54.8804 33.7364 175.5458 128 S 4.8583 8.2108 121.5085 56.6924 65.6834 173.4238 129 F 4.7454 8.7222 119.1973 56.7499 42.1092 175.2448 130 G 3.8185 8.8857 108.2951 43.9700 0.0000 172.2656 131 V 4.0529 8.1081 118.8756 60.8593 33.0837 175.5945 132 I 4.2861 8.3695 126.9519 60.3952 38.1495 174.4917 133 L 4.6940 8.7918 130.4198 53.7060 44.1268 175.0071 134 K 4.7795 9.4311 127.6197 54.4255 34.8513 174.2411 135 L 4.9193 8.3097 129.8402 52.3105 43.9741 174.0986 136 P 4.5428 0.0000 0.0000 62.9904 32.8276 175.3955 137 I 4.8086 8.3857 121.8754 59.6543 41.6803 174.2180 138 S 4.6329 8.4922 122.7382 57.2237 64.8090 173.6293 139 V 3.4954 9.0933 125.3079 62.7387 32.9041 176.3449 140 F 4.5769 7.7237 118.5244 58.9992 40.2715 176.4201 141 S 4.5787 8.4928 113.1352 56.1722 63.9597 172.5737 142 E 4.0358 8.6000 122.9942 56.3252 29.4466 175.9769 143 E 4.4818 9.0584 127.6938 56.5466 26.8272 174.2864 144 D 4.9445 7.9772 115.4756 53.5054 41.3520 177.7790 145 F 5.2223 8.4428 119.2132 56.1939 40.5990 173.8459 146 D 5.0405 8.6979 124.5898 51.7287 39.8462 175.1563 147 L 4.9232 8.2339 127.8972 55.2641 44.2827 174.5778 148 H 5.3889 9.1663 120.0915 54.2353 34.0506 172.6264 149 L 5.0319 9.0140 122.1933 53.8664 44.8309 175.2120 150 S 4.9437 8.6227 123.4456 57.9735 64.8820 174.1300 151 V 4.5108 8.4127 122.7699 60.9459 32.6059 175.6963 152 K 4.1737 8.8334 128.5361 58.7211 32.7798 176.7764 153 S 4.5909 8.3982 112.8997 57.5036 66.2028 174.1849 154 G 4.4585 8.7551 108.9628 47.0125 0.0000 173.4350 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 4.38 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 D 8.35 4.27 0.00 2.86 2.52 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 3 A 9.50 3.99 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 4 R 8.15 3.98 0.00 1.86 2.00 0.00 3.13 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 5 I 7.58 3.72 2.08 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 1.52 0.57 0.92 0.00 0.00 6 V 7.90 3.63 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 1.03 0.00 0.00 0.97 0.00 0.00 7 N 9.22 4.33 0.00 2.83 2.83 0.00 0.00 6.91 7.28 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 8 A 8.59 3.97 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 9 L 8.44 3.92 0.00 1.74 1.86 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.81 3.80 2.02 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 1.46 0.69 0.90 0.00 0.00 11 G 8.33 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 12 S 7.89 4.15 0.00 4.00 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 13 V 7.99 3.59 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 0.96 0.00 0.00 0.99 0.00 0.00 14 Y 8.47 3.90 0.00 3.07 3.06 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 15 E 9.12 4.01 0.00 2.12 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 0.00 2.54 2.80 0.00 16 T 7.93 3.83 4.33 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 1.19 0.00 0.00 17 I 7.69 3.95 1.65 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.86 0.00 0.00 18 R 7.29 4.35 0.00 1.51 1.92 0.00 3.05 0.00 0.00 2.90 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.32 0.00 19 D 7.82 4.34 0.00 2.68 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 20 V 7.78 3.89 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 0.95 0.00 0.00 21 L 7.51 4.22 0.00 1.92 1.70 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.27 4.42 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 0.00 23 I 7.07 4.42 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.34 0.97 0.00 0.00 24 E 8.49 4.02 0.00 1.89 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 2.09 2.18 0.00 25 P 0.00 4.41 0.00 1.90 1.74 0.00 2.97 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 26 K 8.35 4.44 0.00 1.80 1.64 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.33 7.81 27 T 8.49 3.83 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 1.23 0.00 0.00 28 G 8.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.48 4.59 0.00 1.77 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 30 P 0.00 4.57 0.00 1.97 1.99 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 31 S 8.21 4.48 0.00 3.86 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 32 T 8.80 4.82 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 33 V 8.55 4.65 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 0.84 0.00 0.00 0.97 0.00 0.00 34 S 8.89 4.33 0.00 4.00 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 35 H 7.76 4.78 0.00 3.17 3.23 0.00 5.47 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 36 I 7.99 4.17 1.71 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 1.07 0.51 0.61 0.00 0.00 37 E 8.52 4.30 0.00 1.91 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 2.24 2.30 0.00 38 I 8.04 4.31 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.94 0.00 0.00 39 P 0.00 4.34 0.00 1.80 2.03 0.00 3.44 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 40 H 7.57 4.92 0.00 3.15 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.62 4.86 0.00 3.88 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 42 L 7.81 5.15 0.00 1.88 1.53 1.05 0.74 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 43 V 9.02 4.63 1.97 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 0.72 0.00 0.00 0.77 0.00 0.00 44 T 8.39 4.79 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 0.92 0.00 0.00 45 V 8.17 4.68 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 0.93 0.00 0.00 0.82 0.00 0.00 46 I 8.73 4.70 1.90 0.00 0.00 1.00 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 0.59 0.99 0.00 0.00 47 G 8.68 4.30 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 0.00 0.00 0.00 48 I 8.25 5.38 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 0.97 0.99 0.00 0.00 49 T 9.16 4.82 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 50 G 9.18 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 51 G 9.46 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 0.00 0.00 0.00 52 I 7.53 4.91 1.88 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 1.48 0.65 0.91 0.00 0.00 53 E 8.71 5.50 0.00 2.08 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 2.31 2.17 0.00 54 G 7.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.37 4.75 0.00 3.94 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 56 L 8.80 5.06 0.00 1.77 1.56 1.04 1.45 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 57 I 8.83 4.99 1.84 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 1.20 0.56 0.81 0.00 0.00 58 Y 7.94 5.23 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.23 4.77 0.00 3.92 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 60 F 7.64 4.00 0.00 2.75 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 61 S 8.31 4.63 0.00 4.25 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 62 S 8.61 4.26 0.00 3.92 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 63 E 8.16 3.99 0.00 2.07 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 2.41 2.47 0.00 64 T 7.90 3.93 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 1.24 0.00 0.00 65 A 7.64 3.66 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 66 L 7.73 3.81 0.00 1.81 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.59 3.55 0.00 0.94 0.74 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.51 7.81 68 V 7.76 3.80 2.12 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 1.01 0.00 0.00 1.04 0.00 0.00 69 V 7.97 3.38 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 0.21 0.00 0.00 0.78 0.00 0.00 70 S 8.19 4.11 0.00 3.88 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 71 A 7.51 4.16 1.52 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 0.00 0.00 72 M 7.98 4.40 0.00 2.09 2.20 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 2.78 2.58 0.00 73 M 7.82 4.50 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.75 0.00 74 G 7.72 4.31 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 0.00 75 G 7.95 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 76 M 7.97 3.78 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 77 E 8.59 4.13 0.00 1.95 1.91 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 2.30 2.30 0.00 78 Y 7.22 4.43 0.00 2.90 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 79 N 8.02 4.70 0.00 2.69 2.70 0.00 0.00 6.76 7.08 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 80 Q 8.42 4.39 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 7.49 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 81 L 8.44 4.49 0.00 1.66 1.71 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.70 4.73 0.00 2.88 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 83 E 8.71 4.10 0.00 2.03 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 0.00 2.42 2.32 0.00 84 L 7.94 3.98 0.00 1.77 1.94 0.95 1.67 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 85 A 7.99 3.95 1.53 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 0.00 0.00 86 L 7.91 4.03 0.00 1.94 1.75 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.01 4.15 0.00 4.08 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 88 A 8.39 3.96 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 89 I 7.78 3.89 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.72 1.24 0.00 0.00 90 G 8.34 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 0.00 0.00 0.00 91 E 8.70 4.00 0.00 2.24 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 2.32 2.38 0.00 92 L 8.39 4.04 0.00 1.95 1.93 0.92 1.08 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 93 G 8.40 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 0.00 0.00 0.00 0.00 94 N 8.44 4.37 0.00 3.02 3.00 0.00 0.00 7.19 6.94 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 95 M 8.44 4.10 0.00 2.10 2.24 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 2.72 2.60 0.00 96 T 8.00 3.91 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 1.28 0.00 0.00 97 A 8.47 4.23 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 98 G 8.37 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.04 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 100 L 8.63 4.26 0.00 1.75 1.84 0.97 1.09 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 0.00 101 A 8.55 3.96 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 0.00 102 M 7.76 3.98 0.00 1.97 2.21 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 2.62 2.60 0.00 103 K 8.17 3.83 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.70 7.81 104 L 7.90 4.14 0.00 1.88 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.68 4.18 0.00 2.05 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 2.39 2.36 0.00 106 H 7.53 4.21 0.00 3.25 3.34 0.00 5.73 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 0.00 107 L 7.28 4.29 0.00 1.79 1.70 0.98 1.00 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 K 8.74 4.19 0.00 1.70 1.75 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.54 7.81 110 H 8.45 4.83 0.00 3.10 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.28 4.99 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 0.76 0.00 0.00 0.94 0.00 0.00 112 D 8.75 5.04 0.00 2.66 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 0.00 113 I 8.33 4.80 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 1.31 0.43 0.93 0.00 0.00 114 T 8.27 4.43 4.38 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 1.23 0.00 0.00 115 P 0.00 4.68 0.00 1.98 1.97 0.00 3.73 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 2.03 2.09 0.00 116 P 0.00 4.76 0.00 2.08 2.07 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 117 T 8.30 4.41 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 1.23 0.00 0.00 118 V 8.41 4.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 119 V 8.94 4.63 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 0.90 0.00 0.00 0.88 0.00 0.00 120 S 7.83 5.27 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 0.00 121 G 8.23 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.92 3.85 0.00 1.79 1.59 0.00 3.24 0.00 0.00 3.15 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 123 D 9.21 4.50 0.00 2.67 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 0.00 124 L 8.02 4.69 0.00 1.65 1.53 0.89 0.87 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 0.00 125 K 8.27 4.60 0.00 1.65 1.62 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.39 7.81 126 I 8.15 4.48 1.81 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 1.23 0.85 0.82 0.00 0.00 127 K 8.35 4.22 0.00 1.62 1.55 0.00 0.90 0.00 0.00 1.25 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 1.24 7.81 128 S 8.21 4.86 0.00 3.78 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 0.00 129 F 8.72 4.75 0.00 2.91 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 0.00 130 G 8.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.11 4.05 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 0.75 0.00 0.00 0.94 0.00 0.00 132 I 8.37 4.29 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 1.20 0.59 0.93 0.00 0.00 133 L 8.79 4.69 0.00 1.79 1.66 0.93 0.45 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 0.00 134 K 9.43 4.78 0.00 1.78 1.77 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.17 7.81 135 L 8.31 4.92 0.00 1.66 1.54 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.54 0.00 2.16 2.18 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 137 I 8.39 4.81 2.09 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 1.21 0.86 0.65 0.00 0.00 138 S 8.49 4.63 0.00 3.63 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 9.09 3.50 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 -0.65 0.00 0.00 -0.77 0.00 0.00 140 F 7.72 4.58 0.00 3.20 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 0.00 141 S 8.49 4.58 0.00 3.88 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 0.00 142 E 8.60 4.04 0.00 1.97 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 0.00 2.30 2.41 0.00 143 E 9.06 4.48 0.00 2.14 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 2.28 2.20 0.00 144 D 7.98 4.94 0.00 2.96 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 0.00 145 F 8.44 5.22 0.00 2.87 3.11 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 0.00 146 D 8.70 5.04 0.00 2.80 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 0.00 147 L 8.23 4.92 0.00 1.91 1.80 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 148 H 9.17 5.39 0.00 3.06 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.01 5.03 0.00 1.72 1.51 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.62 4.94 0.00 3.80 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 0.00 151 V 8.41 4.51 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 1.02 0.00 0.00 0.95 0.00 0.00 152 K 8.83 4.17 0.00 1.85 2.05 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 153 S 8.40 4.59 0.00 4.03 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 0.00 154 G 8.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00