NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0925 8.2032 115.7171 55.3844 30.4010 172.3724 *2 R 4.5066 7.6978 117.6459 56.8954 32.0239 175.8634 3 K 4.2365 8.7048 123.3180 56.6479 33.5554 175.2684 4 A 5.4658 8.6579 127.1392 50.5679 22.9905 174.6827 5 W 5.0988 8.3346 114.9707 55.0638 32.3463 174.2702 6 V 3.8045 8.3530 120.9347 62.9431 30.7575 175.8065 7 K 4.3490 8.8279 129.1745 59.1240 32.2998 177.3740 8 T 4.6051 7.4504 107.6139 60.3325 72.7799 171.7969 9 L 4.8495 8.4115 123.3466 53.4983 43.7976 175.3713 10 A 4.6113 8.8081 129.0889 50.4406 21.9247 174.7368 11 L 4.8753 8.1199 120.4999 53.3900 44.6535 176.0320 12 D 4.6415 9.5832 127.4061 53.3165 39.9286 176.7745 13 R 4.2131 8.3328 124.5095 57.5149 30.6693 178.5873 14 V 3.7912 7.8645 118.7237 65.6464 31.6143 176.9380 15 S 4.4663 8.3823 110.3295 57.5202 63.4631 173.0143 16 N 4.1779 7.7245 118.6229 55.2455 37.8744 173.2698 17 T 4.8206 7.4803 109.4641 59.2032 71.6066 171.2795 18 P 4.7738 0.0000 0.0000 62.7680 33.0558 175.5842 19 V 4.1021 8.6313 122.8777 60.8040 34.6319 174.6215 20 V 3.9801 8.6625 129.6673 62.8243 32.8788 174.7643 21 I 4.4543 8.5015 129.3167 59.5121 39.0378 174.5141 22 L 4.4016 8.3092 128.7031 53.5517 42.9809 177.1582 23 G 2.4123 7.9123 111.8670 45.4927 0.0000 172.4151 24 I 4.8639 7.6044 123.9543 58.9803 39.4115 175.2706 25 E 4.3340 9.4106 128.9315 57.7853 29.6039 177.3296 26 G 4.1685 10.2145 112.1073 45.3915 0.0000 172.4435 27 T 4.6391 7.5300 107.7646 60.9562 71.7332 173.1343 28 N 4.8423 8.6444 116.8150 53.2340 38.9311 175.2692 29 R 4.7856 7.7069 118.3372 55.2542 32.7023 175.7208 30 V 4.4718 8.8078 113.3138 59.5122 36.5643 174.5658 31 L 4.9745 8.4204 125.2526 52.6394 44.0773 173.5376 32 P 4.8989 0.0000 0.0000 62.3709 32.7281 175.6135 33 I 4.6836 8.5981 123.9325 59.2303 40.5201 174.6013 34 W 4.8780 9.4809 127.7655 56.2881 29.8403 175.6671 35 I 4.7742 8.3947 117.1344 58.7379 40.8424 175.0781 36 G 4.1552 8.7960 110.8574 44.2236 0.0000 174.7372 37 A 3.9771 8.5769 120.4410 55.4809 18.3168 179.7810 38 C 4.1809 8.0320 114.7349 62.7269 28.2101 176.0786 39 E 4.0968 8.2019 120.0593 59.4264 29.1641 179.3664 40 G 3.6533 8.3257 105.9335 47.9528 0.0000 175.2560 41 H 4.1477 8.4670 120.2531 59.0895 29.9198 177.2188 42 A 4.0121 8.1214 122.6194 55.0263 17.9544 179.4244 43 L 3.8026 8.0313 117.9125 58.2443 42.3008 178.4493 44 A 4.1103 8.2310 119.7802 55.4081 18.2870 179.3860 45 L 4.1578 7.8362 116.0367 57.6230 41.9481 180.2391 46 A 4.0167 7.9445 118.2036 52.9626 18.1694 178.9471 *48 E 4.0623 8.1449 121.8148 55.8969 31.5075 175.0369 49 K 3.5389 7.3263 119.7981 56.4111 30.1033 172.7033 *51 E 4.0429 8.0250 118.9880 55.4989 30.7109 175.4225 52 F 5.2004 8.2570 121.2289 54.9780 42.0162 174.5390 53 P 4.2428 0.0000 0.0000 64.4384 31.7409 176.5634 54 R 4.6923 7.3462 117.6040 53.3025 33.4458 173.1664 55 P 4.4972 0.0000 0.0000 62.6046 32.1331 177.1410 56 L 4.3894 9.0019 123.8691 53.8477 44.2724 177.9495 57 T 3.8731 8.2706 115.3497 67.4938 68.2772 176.6599 58 H 4.2225 8.1468 117.5959 58.6898 28.7733 177.3759 59 D 4.4113 8.1259 120.5311 57.2781 40.6004 178.3994 60 L 3.9605 7.9615 120.9355 57.7408 42.0000 178.4640 61 L 3.9340 8.0988 120.5823 58.4889 41.9894 179.1977 62 L 4.0239 8.0273 118.5694 57.7873 41.4883 179.7151 63 S 4.1715 8.2776 115.4958 61.2482 62.8460 176.7537 64 V 3.5367 8.1171 121.3413 66.0410 31.2898 177.7627 65 L 3.9834 8.0734 118.8857 58.1555 41.5259 179.3442 66 E 3.9558 8.2613 119.1228 59.2683 29.3361 178.9889 67 S 4.2760 8.0042 113.4856 60.5084 63.1492 175.2809 68 L 4.5139 7.4622 120.4279 53.2903 43.5119 176.7164 69 E 3.7131 7.9156 116.0517 57.0208 27.1645 172.5941 70 A 5.3970 8.2795 119.2652 51.1292 23.7306 176.3374 71 R 4.5933 8.4836 113.9726 55.0449 33.3735 174.5895 72 V 3.9364 8.3374 120.4579 63.4765 31.4807 174.8416 73 D 4.7748 8.9343 128.4572 55.8750 42.3416 175.8279 74 K 4.5679 7.3693 114.9442 56.6250 35.7121 173.6243 75 V 5.0253 8.7935 119.7758 61.2367 35.2095 173.9707 76 I 5.1437 9.0964 127.9375 59.7063 40.7015 174.4835 77 I 4.7067 9.1609 129.0815 60.5076 37.5777 175.5142 78 H 4.9561 9.1239 123.5419 55.9962 30.8618 174.3882 79 S 4.9091 7.9234 112.8361 56.8403 67.9141 173.1006 80 L 5.0537 8.4517 125.3275 54.4901 44.7836 176.0937 81 K 4.4707 9.0436 127.7156 54.0163 35.8607 172.4272 82 D 4.4580 9.3211 123.3081 55.1599 37.8648 173.2604 83 N 4.0970 8.0814 107.6659 54.3865 36.7777 174.6922 84 T 4.5699 7.4935 113.8270 61.8124 72.1334 173.4896 85 F 4.9603 8.9348 125.2514 57.2136 40.4803 174.5494 86 Y 4.5954 9.2631 120.3069 56.1649 40.4177 174.8178 87 A 5.3241 8.6583 124.7506 50.4009 23.0988 174.7872 88 T 5.0306 9.1012 116.0108 61.6712 71.9895 173.2031 89 L 4.6780 9.0541 129.4957 54.1303 43.5393 175.2786 90 V 4.7070 8.5739 127.6300 61.7756 33.0034 174.5692 91 I 4.8515 9.1173 129.2326 59.6485 40.2780 174.5789 92 R 4.8908 8.8460 126.4953 54.5236 32.1574 174.4185 93 D 4.7038 9.2358 127.9461 54.1030 41.8946 176.1881 94 L 4.6949 8.8087 126.1494 55.4380 41.9081 177.9831 95 T 4.0476 9.6535 109.9847 62.0059 69.1535 174.8853 96 Y 4.1758 7.4835 119.3426 58.2598 39.7959 168.2639 *102 E 4.0551 8.4764 122.0486 55.9885 31.2478 177.0177 103 E 4.1894 7.8331 114.4379 57.2419 30.4045 177.2818 104 A 4.3103 7.9111 120.5791 53.1090 18.3173 176.9028 105 A 4.6432 7.7098 117.5894 52.5741 20.0317 177.0341 106 L 5.0624 7.8067 117.4111 54.5252 43.6745 176.0852 107 I 4.5598 9.1830 124.4300 59.6329 40.2015 174.1600 108 D 5.2551 8.7578 126.6387 53.1218 42.4804 175.9751 109 I 4.6689 8.8965 123.5317 59.0926 41.0604 174.4798 110 D 4.8223 8.8558 126.6582 54.8279 41.9819 175.1669 111 S 4.7521 8.8533 118.8288 56.8641 66.6880 173.8027 112 R 4.4079 8.5901 123.9580 55.0750 30.9049 176.0784 113 P 4.2826 0.0000 0.0000 65.9074 31.1125 178.5760 114 S 4.0793 8.1257 113.6153 61.7155 62.6908 176.2756 115 D 4.3536 8.0874 122.4271 56.4471 40.6578 178.5522 116 A 4.0126 7.8843 120.7405 55.2844 18.4648 179.7590 117 I 3.6419 8.0393 118.6681 64.5743 37.1554 178.7207 118 I 3.6670 7.9176 120.7710 64.4719 36.8976 178.5675 119 L 4.0239 8.1104 119.5101 57.5149 41.3833 179.4941 120 A 3.9891 8.1924 121.0186 54.9878 18.1147 179.7780 121 V 3.5142 8.0601 116.0420 66.2280 31.6987 178.1398 122 K 4.1338 8.0591 117.1663 59.1007 32.0012 178.6461 123 T 4.3520 7.8923 107.7860 61.1794 69.5085 176.0354 124 G 3.8695 8.0536 109.1783 45.2961 0.0000 173.6774 125 A 4.3621 7.5484 121.3121 50.9134 19.1906 176.1443 126 P 4.3162 0.0000 0.0000 62.9468 33.0043 175.0595 127 I 4.8468 8.0302 122.5004 59.9159 39.5807 174.5281 128 F 5.3620 9.4466 124.8162 55.6286 42.8288 174.1398 129 V 5.0579 8.8722 122.3251 60.7132 33.9435 175.5506 130 S 4.4470 8.9234 122.8914 58.6587 63.2650 174.7637 131 D 4.4638 9.2670 124.1709 57.9773 40.6022 179.1794 132 N 4.3601 8.2479 116.5082 56.8471 38.9327 176.6504 133 L 4.1683 7.7610 119.5978 57.7081 41.7798 179.6321 134 V 3.5791 7.8032 117.9182 65.9795 31.3221 177.2732 135 E 3.9098 8.4135 117.8907 59.6436 29.5282 178.6701 136 K 4.2099 8.2228 116.4084 57.9091 32.5561 177.2950 137 H 4.9597 8.5999 113.3505 55.0296 30.6776 174.0674 138 S 4.6561 7.8223 113.9624 58.4747 63.8503 173.6041 139 I 4.7889 9.0324 121.0170 59.7337 41.6210 173.9151 140 E 4.8287 8.7254 124.2990 54.7785 31.4908 175.8633 141 L 4.3690 8.2102 123.4780 54.9936 42.5377 176.5068 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 0 H 8.20 5.09 0.00 3.37 3.61 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 7.70 4.51 0.00 1.88 2.03 0.00 3.43 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 3 K 8.70 4.24 0.00 1.81 1.67 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.08 7.81 4 A 8.66 5.47 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 5 W 8.33 5.10 0.00 3.37 3.19 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 6 V 8.35 3.80 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 0.72 0.00 0.00 0.87 0.00 0.00 7 K 8.83 4.35 0.00 1.58 1.71 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 0.63 7.81 8 T 7.45 4.61 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 1.18 0.00 0.00 9 L 8.41 4.85 0.00 1.55 1.54 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.81 4.61 1.10 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 0.00 0.00 11 L 8.12 4.88 0.00 1.59 1.52 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.58 4.64 0.00 2.79 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.33 4.21 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 14 V 7.86 3.79 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 0.80 0.00 0.00 0.98 0.00 0.00 15 S 8.38 4.47 0.00 4.06 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 16 N 7.72 4.18 0.00 2.83 2.86 0.00 0.00 6.80 7.71 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 17 T 7.48 4.82 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 1.52 0.00 0.00 18 P 0.00 4.77 0.00 2.08 1.92 0.00 3.81 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 2.33 2.09 0.00 19 V 8.63 4.10 1.60 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 0.01 0.00 0.00 -0.24 0.00 0.00 20 V 8.66 3.98 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 0.59 0.00 0.00 0.82 0.00 0.00 21 I 8.50 4.45 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.61 0.73 0.00 0.00 22 L 8.31 4.40 0.00 1.47 1.30 0.74 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.91 2.41 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 24 I 7.60 4.86 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.96 0.00 0.00 25 E 9.41 4.33 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 26 G 10.21 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 27 T 7.53 4.64 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 1.29 0.00 0.00 28 N 8.64 4.84 0.00 2.74 2.88 0.00 0.00 6.87 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 29 R 7.71 4.79 0.00 1.80 1.98 0.00 3.08 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 30 V 8.81 4.47 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 0.55 0.00 0.00 0.92 0.00 0.00 31 L 8.42 4.97 0.00 1.68 1.36 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.90 0.00 1.68 1.82 0.00 3.83 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 2.24 2.09 0.00 33 I 8.60 4.68 1.67 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.37 0.82 0.00 0.00 34 W 9.48 4.88 0.00 3.30 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 35 I 8.39 4.77 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 1.26 0.66 0.96 0.00 0.00 36 G 8.80 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 0.00 0.00 0.00 0.00 37 A 8.58 3.98 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 38 C 8.03 4.18 0.00 3.00 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 39 E 8.20 4.10 0.00 2.24 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 2.42 2.46 0.00 40 G 8.33 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.47 4.15 0.00 3.36 3.49 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 42 A 8.12 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.03 3.80 0.00 1.58 1.82 0.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.23 4.11 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 45 L 7.84 4.16 0.00 1.86 1.89 0.96 0.78 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 46 A 7.94 4.02 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 *48 E 8.14 4.06 0.00 2.17 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 2.34 2.22 0.00 49 K 7.33 3.54 0.00 1.82 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 *51 E 8.03 4.04 0.00 1.94 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 2.15 2.25 0.00 52 F 8.26 5.20 0.00 3.08 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 53 P 0.00 4.24 0.00 2.22 2.24 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 54 R 7.35 4.69 0.00 1.56 1.81 0.00 3.34 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 55 P 0.00 4.50 0.00 2.19 2.09 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 56 L 9.00 4.39 0.00 1.74 1.66 0.87 0.44 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 57 T 8.27 3.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 58 H 8.15 4.22 0.00 3.26 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.13 4.41 0.00 2.96 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 60 L 7.96 3.96 0.00 1.77 1.83 0.92 0.40 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 61 L 8.10 3.93 0.00 1.87 1.87 0.93 0.59 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 62 L 8.03 4.02 0.00 1.91 1.72 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.28 4.17 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.12 3.54 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 1.04 0.00 0.00 0.96 0.00 0.00 65 L 8.07 3.98 0.00 1.95 1.92 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 3.96 0.00 2.16 2.14 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 2.31 2.32 0.00 67 S 8.00 4.28 0.00 4.09 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 68 L 7.46 4.51 0.00 1.68 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.92 3.71 0.00 2.14 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 2.25 2.24 0.00 70 A 8.28 5.40 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 71 R 8.48 4.59 0.00 1.91 2.02 0.00 2.79 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 72 V 8.34 3.94 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 0.80 0.00 0.00 0.96 0.00 0.00 73 D 8.93 4.77 0.00 2.74 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 74 K 7.37 4.57 0.00 2.28 2.06 0.00 1.45 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.43 7.81 75 V 8.79 5.03 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 1.03 0.00 0.00 1.01 0.00 0.00 76 I 9.10 5.14 2.00 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 1.38 0.60 1.03 0.00 0.00 77 I 9.16 4.71 1.87 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 1.23 0.85 0.87 0.00 0.00 78 H 9.12 4.96 0.00 3.12 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.92 4.91 0.00 3.83 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 80 L 8.45 5.05 0.00 1.14 1.31 -0.37 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.04 4.47 0.00 1.64 1.58 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.26 7.81 82 D 9.32 4.46 0.00 2.83 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 N 8.08 4.10 0.00 2.79 2.80 0.00 0.00 6.98 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 84 T 7.49 4.57 4.40 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 0.87 0.00 0.00 85 F 8.93 4.96 0.00 2.92 2.96 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 86 Y 9.26 4.60 0.00 2.86 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 87 A 8.66 5.32 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 88 T 9.10 5.03 4.34 0.00 0.00 0.00 0.00 0.00 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 89 L 9.05 4.68 0.00 1.79 1.70 0.96 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 90 V 8.57 4.71 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 1.03 0.00 0.00 1.04 0.00 0.00 91 I 9.12 4.85 1.90 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 1.14 1.14 0.94 0.00 0.00 92 R 8.85 4.89 0.00 2.01 1.81 0.00 3.13 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 93 D 9.24 4.70 0.00 2.76 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 94 L 8.81 4.69 0.00 1.70 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.65 4.05 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 1.29 0.00 0.00 96 Y 7.48 4.18 0.00 2.93 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 *102 E 8.48 4.06 0.00 1.85 1.69 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 1.49 2.04 0.00 103 E 7.83 4.19 0.00 2.10 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 0.00 2.30 2.22 0.00 104 A 7.91 4.31 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 0.00 105 A 7.71 4.64 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 0.00 106 L 7.81 5.06 0.00 1.54 1.61 0.93 0.90 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 0.00 107 I 9.18 4.56 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 1.24 0.93 0.93 0.00 0.00 108 D 8.76 5.26 0.00 2.57 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 0.00 109 I 8.90 4.67 2.01 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 1.14 0.85 0.94 0.00 0.00 110 D 8.86 4.82 0.00 2.74 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 0.00 111 S 8.85 4.75 0.00 3.96 3.66 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 0.00 0.00 0.00 0.00 112 R 8.59 4.41 0.00 1.91 1.81 0.00 3.17 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 113 P 0.00 4.28 0.00 2.20 2.28 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 114 S 8.13 4.08 0.00 4.07 4.18 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 0.00 115 D 8.09 4.35 0.00 2.74 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 0.00 116 A 7.88 4.01 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 0.00 117 I 8.04 3.64 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.85 0.00 0.00 118 I 7.92 3.67 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.64 0.00 0.00 119 L 8.11 4.02 0.00 1.85 1.74 0.97 0.81 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 0.00 120 A 8.19 3.99 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 0.00 121 V 8.06 3.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 122 K 8.06 4.13 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 123 T 7.89 4.35 4.26 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 1.28 0.00 0.00 124 G 8.05 3.87 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 0.00 0.00 0.00 125 A 7.55 4.36 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 0.00 126 P 0.00 4.32 0.00 1.87 2.13 0.00 3.95 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 2.32 2.16 0.00 127 I 8.03 4.85 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.87 0.00 0.00 128 F 9.45 5.36 0.00 3.03 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 0.00 129 V 8.87 5.06 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 0.84 0.00 0.00 0.90 0.00 0.00 130 S 8.92 4.45 0.00 4.02 4.07 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 0.00 0.00 0.00 0.00 131 D 9.27 4.46 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.25 4.36 0.00 2.79 2.87 0.00 0.00 7.15 6.66 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 0.00 133 L 7.76 4.17 0.00 2.00 1.90 1.21 0.95 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 0.00 134 V 7.80 3.58 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.05 0.00 0.00 135 E 8.41 3.91 0.00 2.04 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 0.00 2.34 2.39 0.00 136 K 8.22 4.21 0.00 2.05 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.34 7.81 137 H 8.60 4.96 0.00 3.39 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.82 4.66 0.00 3.97 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 0.00 139 I 9.03 4.79 1.90 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 0.60 0.93 0.00 0.00 140 E 8.73 4.83 0.00 1.98 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 2.33 0.00 141 L 8.21 4.37 0.00 1.60 1.48 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.