NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9906 8.3549 109.7392 45.7303 0.0000 172.8829 5 S 4.3673 8.7047 113.7632 60.1897 63.4891 174.9613 6 R 3.7557 8.1840 120.5488 59.4092 31.1820 177.3501 7 R 3.5938 8.0045 117.0667 59.6772 29.7141 176.5433 8 Y 4.3847 7.4042 111.6482 58.0455 37.9491 174.9899 9 D 4.5533 7.7013 121.2397 53.8972 41.2767 176.5045 10 S 4.1911 8.7480 122.8251 59.2656 63.9857 174.1786 11 R 3.7975 8.7374 120.1594 57.2392 27.1630 177.1762 12 T 3.9748 7.7906 106.9651 63.6653 69.8674 175.4550 13 T 4.5666 7.2148 112.3584 61.2281 68.6396 172.9497 14 I 4.4888 7.3866 112.8286 59.6430 41.0598 174.9664 15 F 4.8336 8.3951 119.5915 56.6702 39.9752 176.2133 16 S 4.4308 8.4878 118.5591 55.9739 63.9076 173.5182 17 P 3.7106 0.0000 0.0000 65.5784 31.0687 177.3021 18 E 4.1407 8.0676 115.0570 56.3800 29.7560 176.7118 19 G 3.5046 8.8067 108.1211 46.0653 0.0000 173.6226 20 R 4.5728 7.9545 117.8057 54.1730 32.8162 175.7456 21 L 4.5295 7.8049 119.6430 54.1986 41.3984 177.4044 22 Y 3.4750 7.4056 118.1584 60.7483 38.0844 178.0531 23 Q 4.0959 8.1237 118.5454 59.2839 29.1439 179.6038 24 V 3.5652 7.6021 118.4548 66.0468 31.7430 177.5914 25 E 3.9585 8.0594 118.2703 59.9272 29.2681 179.1875 26 Y 4.4676 8.0159 116.4828 60.9064 37.8098 178.3916 27 A 4.0326 8.4037 122.1619 55.2594 18.6875 179.4449 28 L 3.9422 8.4483 117.9293 58.1110 41.4329 179.5751 29 E 3.9276 8.0669 118.2429 59.2942 30.0417 178.4070 30 S 4.2999 8.2657 113.3577 61.5319 62.3460 176.1529 31 I 3.7229 8.1955 123.1515 64.3631 36.6256 178.4362 32 S 4.1227 7.6720 113.6139 61.1849 62.5993 174.7539 33 H 4.6647 7.6060 117.0379 55.5429 28.6490 174.8692 34 A 4.5072 7.8905 123.4872 50.4249 19.9262 177.8616 35 G 4.0550 8.4725 106.6930 46.4419 0.0000 173.5750 36 T 4.3389 8.6421 120.4675 63.3670 69.8234 173.2406 37 A 5.2222 8.5295 126.2431 50.2165 22.1557 175.3474 38 I 4.6321 9.5956 122.3252 59.3780 41.5016 174.8820 39 G 4.3857 8.7189 111.9500 44.5721 0.0000 171.8038 40 I 4.7200 8.7496 126.0495 59.6044 40.9200 174.0564 41 M 4.7530 8.8076 126.5176 54.1010 33.5379 175.2787 42 A 4.6655 8.6656 131.3472 50.7754 21.5260 176.1591 43 S 4.3439 8.6411 110.6176 60.5709 63.4856 174.7622 44 D 4.8180 8.2431 117.6895 51.4735 39.5788 175.6519 45 G 3.9586 6.8509 108.0831 46.3446 0.0000 171.4505 46 I 5.1101 7.9780 118.4482 59.4047 41.1831 175.4458 47 V 4.4612 8.9412 125.4229 61.0328 34.3463 174.0415 48 L 5.3884 8.6542 126.7950 52.9337 44.1692 175.7068 49 A 4.8374 9.1690 124.6019 50.3345 22.6976 174.6353 50 A 4.8441 8.4271 121.5853 50.4809 22.8119 175.0634 51 E 4.3815 9.1522 122.3932 54.4843 31.2287 175.7683 52 R 3.9979 8.5708 126.8677 55.9581 30.3330 176.3134 53 K 3.9597 8.6167 125.3693 56.7606 32.7546 173.5811 54 V 3.1441 8.6080 129.9181 63.0509 32.1247 171.5488 55 T 4.5864 8.0148 114.4206 61.1263 71.7575 171.6057 56 S 4.5848 8.0278 114.0103 57.7600 65.4296 175.0169 57 T 4.0664 8.3535 118.4356 65.8627 68.3177 176.1131 58 L 4.2526 7.5581 118.9119 55.0888 42.1669 176.6966 59 L 3.8797 7.1185 121.2852 54.6456 42.1053 175.9280 60 E 4.0443 8.7093 127.5522 56.2909 29.5727 175.6483 61 Q 4.2142 8.5963 128.4793 58.3097 29.9899 177.3968 62 D 4.3132 8.2508 116.8618 57.9863 40.8351 177.6957 63 T 4.2827 7.8510 111.4704 63.7485 68.1697 174.1044 63A S 4.7419 7.3180 115.9273 57.0719 64.6711 174.2526 64 T 4.1031 7.8493 119.1059 63.3325 70.5491 173.0548 65 E 4.9093 8.5174 122.0547 54.2892 31.2777 176.2133 66 K 4.5991 7.6443 116.4590 55.8149 35.9318 175.4080 67 L 5.0898 7.6295 119.0140 53.1101 43.5263 175.6097 68 Y 4.8047 8.8856 121.8274 55.8688 41.6465 174.8472 69 K 4.4103 8.7781 124.3621 55.6087 32.5876 175.9844 70 L 4.3805 8.7073 128.0267 56.3297 42.6898 175.7046 71 N 4.8740 7.5543 113.8435 52.9483 41.3704 172.6412 72 D 4.7563 8.7229 115.2675 55.0563 41.6841 176.7455 73 K 4.7470 7.8903 116.5205 55.6673 35.0412 175.4809 74 I 5.1649 7.7447 120.9449 59.4619 41.1166 174.1905 75 A 5.2442 9.2927 127.3569 50.4194 23.1025 175.0865 76 V 4.9544 9.0292 111.7726 59.5102 36.5945 174.4625 77 A 5.2084 8.9479 124.7964 50.3525 21.2646 175.7573 78 V 4.5110 8.9468 122.9609 61.2886 33.6355 175.2731 79 A 4.3397 8.8437 128.1336 51.5706 21.7857 173.3487 80 G 3.7421 9.0058 110.2466 44.2252 0.0000 173.3300 81 L 3.9913 9.1332 124.4638 55.3337 41.8711 177.7794 82 T 3.8606 8.8753 121.2153 66.7940 68.3155 176.0478 83 A 3.9969 8.0364 121.7282 55.5446 18.2830 179.2076 84 D 4.4583 8.1700 116.4866 57.3439 40.8817 178.7373 85 A 3.9431 8.1327 121.2540 55.3979 18.4866 179.2973 86 E 3.6562 8.1953 117.0682 59.6802 29.5481 179.9031 87 I 3.6984 7.5431 119.5446 64.4241 37.1697 178.4584 88 L 3.7935 7.5405 119.4672 57.7053 41.3568 179.4426 89 I 3.5039 8.2748 120.0900 64.4863 37.0719 177.8960 90 N 4.2643 8.1109 117.7449 56.9737 38.7648 176.9999 91 T 3.8996 7.7994 110.4184 64.5314 68.7053 176.3305 92 A 3.9140 8.1096 123.9296 55.2178 18.3989 179.7811 93 R 3.9132 8.2908 116.9049 59.3427 29.9633 179.5235 94 I 3.6906 7.7355 119.6350 64.6014 37.1411 177.6233 95 H 4.0701 8.3973 118.9917 59.4661 29.5949 176.7984 96 A 3.9971 7.9796 122.2227 55.5685 18.1817 179.6845 97 Q 4.0776 7.9587 115.9032 58.7947 28.6898 178.6023 98 N 4.3259 8.4121 118.1755 56.2670 38.5281 176.6547 99 Y 3.9681 8.1568 120.9981 60.6907 38.8652 177.8556 100 L 4.4484 8.0308 122.5335 57.6863 41.9531 178.9421 101 K 3.9587 8.0285 118.3573 59.6643 32.1640 178.7014 102 T 3.7791 7.8606 115.5781 65.7948 68.4630 175.5628 103 Y 4.4866 7.7834 115.7636 56.3176 39.8202 175.2073 104 N 4.3783 8.6042 116.4913 53.5578 36.6247 173.8725 105 E 4.8397 7.6903 114.4707 54.9990 33.9541 175.0210 106 D 4.5982 8.5729 121.9658 53.8601 41.5895 176.3718 107 I 2.5993 8.2284 123.3102 60.0531 38.5860 173.9117 108 P 4.1554 0.0000 0.0000 62.3286 32.0958 177.0190 109 V 3.4335 8.2871 123.7774 66.4570 31.2927 178.0647 110 E 3.8241 7.9888 118.0830 59.0996 29.4860 178.5874 111 I 3.6033 7.6563 120.1261 64.0499 37.0748 178.1849 112 L 3.8673 7.5600 120.7366 58.1073 42.0627 178.9522 113 V 2.9205 7.4967 118.1955 65.5542 31.2665 178.0607 114 R 3.7077 8.0792 118.7978 59.3054 29.8612 178.1580 115 R 3.7725 7.7125 118.5831 59.6472 30.0717 178.1862 116 L 3.8983 7.7492 119.7859 58.1897 41.9928 179.0931 117 S 4.2099 7.9875 115.2835 61.5475 62.4918 176.3223 118 D 4.4193 8.3404 121.4403 57.2299 40.8080 178.6333 119 I 3.9478 7.4674 120.3726 64.3242 36.8253 178.4796 120 K 3.9728 7.8779 119.0108 59.7387 31.9397 179.1159 121 Q 4.1330 8.6709 120.1323 58.9702 28.7747 178.8127 122 G 3.6140 8.0842 106.8882 48.0041 0.0000 175.0139 123 Y 4.1105 7.9417 116.3908 59.5585 37.8641 177.6478 124 T 4.3012 7.7099 116.3980 64.1561 69.3047 174.9875 125 Q 4.4250 7.5858 119.5633 56.0544 30.7477 174.4587 126 H 4.5808 7.6328 109.9685 55.8315 30.9124 173.3817 127 G 3.8226 9.4802 108.2810 44.6074 0.0000 175.3995 128 G 3.7956 8.0745 105.8943 46.1668 0.0000 173.1806 129 L 4.6271 6.9955 117.9621 52.3591 43.6883 176.5907 130 R 4.1949 8.1171 116.6582 55.1193 30.2733 174.6573 131 P 4.5600 0.0000 0.0000 62.3672 32.1962 175.6046 132 F 4.5285 8.5836 118.4272 56.9670 40.1725 177.6856 133 G 4.0481 8.9032 115.1076 44.7749 0.0000 172.4594 134 V 4.9169 7.3460 119.1734 61.7960 35.5427 174.2177 135 S 4.7728 8.8481 122.3966 56.7088 66.5382 173.0592 136 F 5.3284 8.8162 121.0406 55.6785 42.5310 174.5622 137 I 4.5704 8.3103 121.6568 59.9208 39.9789 174.0074 138 Y 5.0560 9.0145 124.8537 56.2939 39.6877 175.0008 139 A 4.7300 9.3265 126.6905 50.3687 21.4963 175.2590 140 G 5.0173 8.4854 107.9722 45.9684 0.0000 170.7782 141 Y 5.0108 8.4071 120.1191 55.8090 41.7230 173.9263 142 D 4.5977 7.4110 123.7898 51.6435 42.4288 174.6560 143 D 4.5258 8.3115 118.2849 53.7774 39.4057 176.3372 144 R 4.0796 8.2951 126.4079 57.4439 30.2833 174.6070 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 4 G 8.35 3.99 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 0.00 0.00 0.00 5 S 8.70 4.37 0.00 4.04 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 0.00 6 R 8.18 3.76 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 7 R 8.00 3.59 0.00 1.44 0.86 0.00 2.45 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.37 0.00 8 Y 7.40 4.38 0.00 3.03 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 9 D 7.70 4.55 0.00 2.62 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 10 S 8.75 4.19 0.00 3.91 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 11 R 8.74 3.80 0.00 1.97 1.94 0.00 3.12 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 12 T 7.79 3.97 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 1.22 0.00 0.00 13 T 7.21 4.57 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 1.21 0.00 0.00 14 I 7.39 4.49 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 0.98 0.00 0.00 15 F 8.40 4.83 0.00 3.09 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 16 S 8.49 4.43 0.00 3.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 3.71 0.00 2.08 2.20 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 18 E 8.07 4.14 0.00 1.87 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 2.27 2.34 0.00 19 G 8.81 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.95 4.57 0.00 1.68 1.83 0.00 3.04 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 21 L 7.80 4.53 0.00 1.60 1.51 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.41 3.48 0.00 2.88 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.10 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 24 V 7.60 3.57 2.18 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 1.00 0.00 0.00 0.92 0.00 0.00 25 E 8.06 3.96 0.00 1.92 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 2.35 2.36 0.00 26 Y 8.02 4.47 0.00 3.13 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 27 A 8.40 4.03 1.44 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 0.00 0.00 28 L 8.45 3.94 0.00 1.87 1.77 0.93 0.85 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 29 E 8.07 3.93 0.00 2.05 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 2.37 2.41 0.00 30 S 8.27 4.30 0.00 3.97 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 31 I 8.20 3.72 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.81 0.92 0.00 0.00 32 S 7.67 4.12 0.00 3.99 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 33 H 7.61 4.66 0.00 3.31 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.89 4.51 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 35 G 8.47 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 36 T 8.64 4.34 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 37 A 8.53 5.22 1.17 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 38 I 9.60 4.63 1.87 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 1.16 0.83 0.92 0.00 0.00 39 G 8.72 4.39 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 0.00 40 I 8.75 4.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.92 0.00 0.00 41 M 8.81 4.75 0.00 2.03 1.98 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 2.52 2.54 0.00 42 A 8.67 4.67 1.28 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 43 S 8.64 4.34 0.00 4.00 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 44 D 8.24 4.82 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 45 G 6.85 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 0.00 0.00 0.00 46 I 7.98 5.11 1.91 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 1.27 0.76 0.94 0.00 0.00 47 V 8.94 4.46 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 0.98 0.00 0.00 0.93 0.00 0.00 48 L 8.65 5.39 0.00 1.53 1.54 0.94 0.77 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 49 A 9.17 4.84 1.17 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 50 A 8.43 4.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.15 4.38 0.00 2.01 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 2.24 2.27 0.00 52 R 8.57 4.00 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 53 K 8.62 3.96 0.00 1.78 1.72 0.00 2.08 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.61 3.14 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.01 4.59 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 56 S 8.03 4.58 0.00 3.82 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 57 T 8.35 4.07 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 58 L 7.56 4.25 0.00 1.65 1.71 0.92 0.74 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 59 L 7.12 3.88 0.00 1.71 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.71 4.04 0.00 1.95 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 2.29 2.35 0.00 61 Q 8.60 4.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 D 8.25 4.31 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.85 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 63A S 7.32 4.74 0.00 4.01 3.81 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 64 T 7.85 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 65 E 8.52 4.91 0.00 2.05 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 2.13 2.23 0.00 66 K 7.64 4.60 0.00 1.61 1.78 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 67 L 7.63 5.09 0.00 1.33 1.47 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.89 4.80 0.00 2.90 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 69 K 8.78 4.41 0.00 1.80 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.49 7.81 70 L 8.71 4.38 0.00 1.81 1.70 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.55 4.87 0.00 2.62 2.79 0.00 0.00 6.92 8.47 0.00 0.00 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 D 8.72 4.76 0.00 2.73 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 73 K 7.89 4.75 0.00 1.71 2.02 0.00 1.69 0.00 0.00 2.01 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 74 I 7.74 5.16 1.89 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 1.29 1.07 0.98 0.00 0.00 75 A 9.29 5.24 1.21 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 76 V 9.03 4.95 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 0.32 0.00 0.00 0.97 0.00 0.00 77 A 8.95 5.21 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.95 4.51 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 0.61 0.00 0.00 1.26 0.00 0.00 79 A 8.84 4.34 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.01 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 0.00 0.00 0.00 81 L 9.13 3.99 0.00 1.77 1.66 0.93 1.11 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 82 T 8.88 3.86 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 1.31 0.00 0.00 83 A 8.04 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.17 4.46 0.00 2.94 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 85 A 8.13 3.94 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 86 E 8.20 3.66 0.00 2.11 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 2.02 2.46 0.00 87 I 7.54 3.70 2.12 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 1.83 1.33 1.01 0.00 0.00 88 L 7.54 3.79 0.00 1.83 1.60 0.59 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.27 3.50 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.78 0.00 0.00 90 N 8.11 4.26 0.00 2.82 2.92 0.00 0.00 7.04 6.49 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 91 T 7.80 3.90 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 92 A 8.11 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.29 3.91 0.00 1.99 2.00 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 94 I 7.74 3.69 2.05 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 1.68 0.97 0.93 0.00 0.00 95 H 8.40 4.07 0.00 3.24 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.98 4.00 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 97 Q 7.96 4.08 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 98 N 8.41 4.33 0.00 2.89 2.86 0.00 0.00 6.53 8.32 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 99 Y 8.16 3.97 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.03 4.45 0.00 1.92 1.87 1.05 0.50 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 0.00 101 K 8.03 3.96 0.00 1.86 1.91 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.86 3.78 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 -0.06 0.00 0.00 103 Y 7.78 4.49 0.00 2.57 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 0.00 104 N 8.60 4.38 0.00 2.86 2.93 0.00 0.00 6.76 7.23 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 0.00 105 E 7.69 4.84 0.00 2.15 1.90 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 2.36 2.57 0.00 106 D 8.57 4.60 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.23 2.60 1.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.81 0.79 0.00 0.00 108 P 0.00 4.16 0.00 2.00 1.81 0.00 2.83 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 1.92 1.91 0.00 109 V 8.29 3.43 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 0.93 0.00 0.00 0.87 0.00 0.00 110 E 7.99 3.82 0.00 1.97 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 2.27 2.29 0.00 111 I 7.66 3.60 1.73 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 1.32 0.22 0.86 0.00 0.00 112 L 7.56 3.87 0.00 1.60 1.69 0.90 0.83 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 0.00 113 V 7.50 2.92 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 0.33 0.00 0.00 -0.00 0.00 0.00 114 R 8.08 3.71 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 115 R 7.71 3.77 0.00 1.84 1.88 0.00 3.10 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.48 0.00 116 L 7.75 3.90 0.00 1.84 1.60 0.67 0.79 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 0.00 117 S 7.99 4.21 0.00 4.03 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 0.00 118 D 8.34 4.42 0.00 2.79 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 0.00 119 I 7.47 3.95 2.00 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 1.55 0.99 0.89 0.00 0.00 120 K 7.88 3.97 0.00 2.07 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.54 7.81 121 Q 8.67 4.13 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 122 G 8.08 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.94 4.11 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.71 4.30 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 1.15 0.00 0.00 125 Q 7.59 4.43 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 126 H 7.63 4.58 0.00 3.17 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.48 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 0.00 128 G 8.07 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 0.00 129 L 7.00 4.63 0.00 1.59 1.58 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.12 4.19 0.00 1.92 1.92 0.00 3.02 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 131 P 0.00 4.56 0.00 2.11 2.13 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 132 F 8.58 4.53 0.00 2.89 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 0.00 133 G 8.90 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 0.00 134 V 7.35 4.92 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 -0.16 0.00 0.00 0.89 0.00 0.00 135 S 8.85 4.77 0.00 3.66 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.82 5.33 0.00 2.50 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 0.00 0.00 0.00 137 I 8.31 4.57 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 1.27 0.87 0.96 0.00 0.00 138 Y 9.01 5.06 0.00 2.75 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 0.00 139 A 9.33 4.73 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 0.00 140 G 8.49 5.02 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 0.00 141 Y 8.41 5.01 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.41 4.60 0.00 2.58 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 0.00 0.00 0.00 143 D 8.31 4.53 0.00 2.81 2.82 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 0.00 144 R 8.30 4.08 0.00 1.61 1.80 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00