NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1649 7.9829 118.5502 59.9366 38.3948 178.1852 3 S 4.0935 8.1125 119.7639 63.0277 62.0447 177.7314 4 D 4.5541 8.8984 123.5223 57.6261 41.0976 178.8270 5 S 4.1670 7.9475 114.9003 61.5499 62.6432 176.5893 6 I 3.7325 8.0793 122.1948 64.4015 36.8976 178.1599 7 S 4.2379 7.8541 112.9531 61.3714 62.4043 176.0341 8 K 4.1736 8.0157 119.4445 57.3348 32.2112 177.7389 9 R 3.9914 7.4677 119.9032 56.6188 30.4285 175.7829 10 R 4.7291 8.1585 122.5782 54.0450 34.0121 175.1303 11 S 4.4245 8.6796 116.8896 58.7248 63.1594 173.8260 12 I 4.4853 8.5317 127.1978 59.8254 38.4615 175.7893 13 R 4.7274 9.3490 122.5784 55.4347 31.5547 175.2394 14 K 4.6621 7.2906 117.5154 54.8703 36.2214 174.8125 15 Y 5.1894 8.4025 120.9283 55.7587 42.0755 175.2906 16 K 4.2094 9.0794 122.5710 56.6476 33.1399 177.5012 17 N 4.6457 8.6924 122.0007 52.2785 37.4135 172.7238 18 Q 4.4881 7.9349 121.9051 54.0845 32.2439 174.4919 19 S 4.4816 8.6653 120.0475 58.1933 64.0296 173.1644 20 I 4.7065 7.8996 121.5966 59.0870 39.8150 176.7578 21 S 4.3250 8.4569 119.5161 58.5511 64.9817 175.2249 22 H 4.3354 8.5537 120.5679 58.9816 28.5560 177.9438 23 E 4.4563 8.0844 120.4224 59.1099 29.5313 179.2727 24 T 3.8498 7.7548 116.5229 66.5494 68.4771 176.6029 25 I 3.6333 7.6096 121.2934 64.4271 36.9984 178.2824 26 E 3.8663 8.4856 119.7687 59.2989 29.2806 179.3521 27 K 4.2940 8.0283 120.9066 58.9070 32.2505 178.9904 28 I 3.5411 7.5308 119.7673 64.4301 36.9815 178.4832 29 I 3.1651 7.6335 120.6566 64.1983 36.7080 178.1759 30 E 3.8425 8.5480 119.5459 59.3892 29.0290 179.3202 31 A 3.9938 7.6397 119.8053 54.9925 18.6833 179.4237 32 G 3.4282 7.4229 103.6428 48.9373 0.0000 175.9313 33 I 3.7171 7.4212 121.1445 63.7281 37.1662 177.4422 34 N 4.6613 7.5752 113.9765 52.8299 38.8061 175.3486 35 A 4.1624 7.0078 124.3472 51.1967 19.0717 175.8865 36 P 4.7293 0.0000 0.0000 62.9495 32.4785 175.8577 37 S 4.7053 8.1819 111.9434 56.6357 65.8589 173.5738 38 S 4.1930 8.6272 117.4568 59.8612 62.3465 174.5217 39 K 3.7392 9.1509 125.2728 56.8459 29.4564 174.3446 40 N 4.1877 8.2174 114.0371 54.5328 37.8211 175.7267 41 R 3.8283 7.9568 116.4109 56.9347 30.8366 177.0178 42 Q 2.0000 7.5428 116.9789 55.8298 26.4476 172.7262 43 P 4.1909 0.0000 0.0000 63.7620 33.1721 178.2088 44 W 4.6477 6.5013 118.8514 56.8210 28.7714 175.9482 45 R 4.5067 8.7445 120.8102 54.3577 34.1988 173.9936 46 F 5.4878 8.6719 119.9560 55.7091 42.1989 174.7164 47 V 4.3636 9.0518 123.4303 61.1545 33.8441 174.3512 48 V 4.3866 8.5527 128.8185 62.0796 32.6005 174.9277 49 I 4.6077 9.1365 130.2617 60.2606 39.1952 175.4041 50 T 4.8356 8.2291 118.0777 59.7570 71.7240 174.6199 51 E 3.9962 8.9178 120.5391 59.4580 29.1302 178.8738 52 K 4.0835 8.1391 117.8051 59.1216 32.5288 177.8179 53 E 4.7127 8.1587 117.0589 55.5846 29.8227 177.4623 54 K 3.7826 7.6180 121.0229 59.6653 32.5203 177.3937 55 E 3.9941 8.1290 119.3333 59.3363 30.0283 179.1329 56 S 4.3342 7.6227 110.2596 58.8214 61.7694 175.4894 *58 L 4.1864 7.9514 120.1977 54.1921 43.4825 178.5369 59 K 3.9701 8.0536 117.7947 59.4507 32.2908 179.3127 60 A 4.2390 7.4802 118.6860 52.9417 17.6956 179.1562 *62 S 4.3717 8.1306 117.4513 59.9422 65.1735 176.2357 63 K 3.9694 8.3673 121.0444 59.5865 31.8183 179.0474 64 G 3.7114 8.0338 105.7214 48.6652 0.0000 175.6382 65 I 3.7275 7.7633 121.8901 64.2177 37.1808 178.1082 66 Q 3.9282 8.4091 120.6847 59.1888 28.7802 177.7977 67 N 4.3314 8.4033 118.1359 56.6564 39.0234 176.7529 68 E 4.0267 8.4898 120.0894 59.5873 29.4035 179.2520 69 I 3.7668 7.8000 118.7941 64.3556 37.1816 177.2872 70 N 4.6861 7.9992 114.3661 52.5439 38.4733 174.6250 71 D 4.4829 8.0992 118.9135 55.9146 38.8595 173.6390 72 N 4.9987 8.5605 114.3318 53.2795 39.8154 174.3678 73 G 4.7746 7.7932 106.4678 43.3283 0.0000 173.4469 74 L 4.6109 9.1408 117.3627 54.6047 44.0664 176.2816 75 L 4.8840 7.8992 118.0930 52.8350 41.9632 175.7987 76 P 4.2579 0.0000 0.0000 65.6861 31.8379 178.1704 77 G 3.9051 8.0868 105.1286 46.4291 0.0000 173.6351 78 S 4.9513 8.3522 116.4898 58.0301 64.0622 176.2732 79 R 3.9437 8.3754 124.0587 59.3946 29.8948 178.3743 80 Q 4.0712 8.0758 114.4712 58.6038 28.8347 176.4491 81 H 4.8680 8.3712 115.3517 56.0638 29.5797 177.0162 82 I 3.0376 7.7504 122.0774 63.9809 36.7616 177.8974 83 A 4.0536 8.0132 121.3575 55.1709 18.1304 179.7481 84 G 3.6098 8.0996 103.4588 47.8920 0.0000 175.5989 85 A 4.4712 7.7775 124.4342 54.5865 18.2486 179.4770 86 N 4.3093 8.4423 115.2852 56.5668 38.5805 177.0579 87 Y 4.0554 8.0690 121.0661 60.9049 38.6755 177.8981 88 T 3.8673 8.1816 116.2558 66.6467 68.6173 176.1791 89 V 3.7028 7.6033 119.0569 66.2532 31.5909 177.7311 90 E 4.0792 7.5210 117.1159 58.9795 29.4854 179.2227 91 I 3.8686 7.3480 119.3851 61.4744 37.1628 177.9270 *93 K 4.2046 8.0543 122.8293 56.5170 33.7605 176.7393 94 Q 4.1156 7.9126 116.6845 57.9886 29.0119 176.5141 95 A 3.8420 7.6096 120.6276 50.6821 19.0401 175.7582 96 P 4.3632 0.0000 0.0000 64.9600 31.9592 176.8997 97 V 4.6855 7.3667 116.8866 61.2702 35.3413 174.3521 98 T 4.9315 8.7035 123.0914 61.7973 72.3062 172.6839 99 I 4.9525 8.6698 127.3078 59.6260 39.6068 174.8578 100 F 4.6862 9.4658 126.7586 56.8683 40.6792 174.6812 101 I 4.9325 9.0810 124.2745 59.6594 39.5261 174.7858 102 L 5.1982 9.0743 127.0121 52.9574 45.4828 175.3293 103 N 5.2110 9.0889 120.8295 51.8877 39.7532 175.2333 104 I 3.7905 8.5547 127.4248 62.8375 38.2635 176.5675 105 L 4.4589 7.9887 118.6609 54.3865 41.6112 176.3044 106 G 4.0590 7.7597 108.7278 44.1500 0.0000 174.3418 107 K 4.3192 8.2832 122.3788 54.8863 33.5257 176.8979 108 S 4.2252 8.4657 115.8517 58.0806 62.7196 173.7447 109 P 4.1987 0.0000 0.0000 64.9698 31.1403 177.4236 110 L 4.1746 7.7515 116.9064 55.8201 42.0003 176.8730 111 E 4.4107 7.5978 118.3813 55.0820 30.5774 176.0593 112 K 4.3400 8.2865 121.2296 55.5529 33.3150 176.3424 113 L 4.9235 8.0348 122.2427 52.4905 44.2900 177.3618 114 S 4.3484 8.8792 118.4021 57.4011 64.9816 173.6520 115 P 3.8813 0.0000 0.0000 65.7831 31.0146 178.5465 116 E 4.2319 8.1293 117.3770 59.4910 29.6742 178.5234 117 E 4.0636 8.2551 118.6541 59.3570 29.2356 179.5613 118 R 3.8685 7.9224 117.5256 59.3240 30.2130 178.6828 119 F 4.6381 7.8317 116.2697 60.9618 39.1159 177.0671 120 Y 4.0954 8.4446 116.2898 60.8282 37.4141 178.9758 121 E 4.2027 8.1016 115.9425 56.8633 29.9070 177.2951 *123 A 4.4302 7.9583 121.9364 51.9701 20.5519 180.3655 124 N 4.3602 8.2935 111.4676 53.9983 38.1426 177.2733 *126 Q 4.3722 8.2529 119.1683 56.3063 31.0501 177.8454 127 S 4.3368 8.2095 113.8040 61.9534 62.7635 176.9798 128 I 4.2246 8.3348 122.6009 64.3336 36.7603 178.6065 129 G 4.0375 8.4635 106.0344 48.0053 0.0000 175.3019 130 A 4.0568 8.4438 122.8931 54.7689 17.8550 179.5579 131 A 3.6452 7.8438 119.1671 55.4605 18.2092 180.0673 132 I 3.2960 7.5748 117.0975 64.0645 37.1057 178.2256 133 Q 4.2327 8.2492 120.8582 59.0604 28.8421 178.6892 134 N 4.4051 8.0197 115.2916 54.0020 38.7936 177.0140 *136 S 4.3263 8.0367 118.3469 58.6979 65.1331 176.4051 137 L 4.0449 8.1431 120.3648 58.0140 41.2955 179.7097 138 T 3.8330 8.1336 115.7156 66.3150 68.2442 176.4073 139 A 3.8974 7.9309 122.3145 55.2148 18.3702 179.5620 140 V 3.6396 7.5592 116.0123 66.3457 31.4059 177.8646 141 E 3.9925 7.9562 117.4256 58.8036 29.4726 177.7482 142 L 4.4901 7.5783 116.4229 54.2394 41.9728 177.4260 143 G 3.9520 8.0299 107.3287 45.4476 0.0000 173.4364 144 L 4.4596 7.8510 119.7096 53.1613 44.1204 175.4039 145 G 4.4716 9.1602 107.1667 44.8762 0.0000 171.8375 146 S 5.4024 8.2330 112.6418 57.0776 67.0246 172.7321 147 L 5.0034 8.8932 122.0120 53.0840 44.8727 175.0170 148 W 4.8379 9.0600 135.0000 57.1397 31.9728 175.2954 149 I 4.6357 9.1993 127.1117 59.5323 40.0191 175.5771 150 C 4.2715 8.6309 123.3544 59.3859 28.7726 175.2782 151 D 4.5484 7.9917 121.6556 56.9341 40.3422 178.3879 152 V 3.8249 7.9373 112.7679 64.5786 31.2310 177.6869 153 Y 4.6361 7.8663 115.9829 60.8230 37.7290 177.7794 154 F 4.6506 8.3242 117.0794 58.8029 39.3527 175.0947 155 A 5.1730 8.4346 122.2541 49.8681 19.8774 177.7754 156 Y 4.0911 8.7561 121.6646 62.7771 38.8711 177.5878 157 R 4.0173 8.1917 118.1576 59.2921 30.0077 178.8029 158 E 4.0340 8.1855 117.9658 59.4365 29.5060 179.2669 159 L 4.1053 8.4677 119.4808 57.8680 41.7131 179.2292 160 C 4.0672 8.1123 116.8726 62.5376 28.0439 175.8194 161 E 3.8737 8.3189 120.9771 59.0649 29.0813 178.6388 162 W 4.1372 8.1041 127.0789 60.4526 30.8962 177.4258 163 L 3.5897 8.2525 117.0266 54.4720 41.9008 176.0600 164 N 4.1060 7.6556 116.5542 55.0849 37.6912 173.3573 165 T 4.6210 7.7259 110.0425 60.5397 70.5924 172.8630 166 D 4.7195 8.4717 124.7984 54.3747 41.4074 177.0463 167 S 4.4188 7.8917 116.6570 57.8286 63.9051 172.6848 168 Q 4.6510 8.3972 123.3411 55.6647 30.0647 174.3662 169 L 4.5286 8.4667 129.6886 55.3587 42.0498 176.1467 170 V 4.4959 8.7847 126.6510 64.6242 33.0036 175.1690 171 A 4.5837 7.4488 118.9691 51.6185 22.3924 174.5980 172 A 4.8793 8.4670 120.1765 50.0643 23.1063 175.2531 173 I 4.7775 8.4330 119.0801 59.4275 41.1528 174.4944 174 S 4.9663 8.8776 125.8235 57.4979 65.0251 173.3346 175 L 4.9667 8.5186 122.6119 52.8560 46.1765 176.0698 176 G 3.7473 7.8612 107.9884 46.1964 0.0000 171.2439 177 Y 4.7339 7.8890 117.8683 56.6881 38.9239 173.9251 178 P 4.5677 0.0000 0.0000 62.3692 32.4870 175.6579 179 D 5.1327 8.4915 122.8399 53.4390 41.7809 175.1293 180 E 4.7571 7.8356 112.0714 55.1428 32.2533 174.7999 181 E 4.6195 8.1432 118.2780 53.7785 30.1686 173.5689 182 P 4.4018 0.0000 0.0000 62.0423 32.5038 177.0114 183 S 4.3234 8.3024 117.3448 57.8920 63.5066 174.2629 184 R 3.9048 8.4087 122.2835 57.0572 30.1523 176.7036 185 R 4.3086 8.2714 123.2112 54.6982 31.1552 174.6430 186 P 4.4189 0.0000 0.0000 63.1096 31.9061 176.3860 187 R 4.6931 8.0732 119.2207 53.9860 34.0376 175.3338 188 L 4.1134 8.4284 120.8104 55.2774 42.4319 176.8469 189 Q 4.5131 9.0962 120.4679 54.0883 30.8601 176.8363 190 L 3.9680 8.6508 120.7074 58.6932 41.9812 179.5256 191 S 4.3243 8.1225 112.4528 61.5848 62.9468 175.4653 192 D 4.5190 7.9735 119.5453 56.3900 40.6059 177.3403 193 V 4.3809 7.7371 109.1596 60.9179 32.9750 175.3938 194 T 4.4533 7.7831 116.4597 61.3900 71.3082 172.6564 195 E 4.7108 8.4918 126.1727 53.9506 31.9752 174.7148 196 W 4.6830 8.8218 124.8250 55.0158 31.1997 176.1151 197 R 4.3015 8.5690 121.4081 56.4132 30.3885 175.2286 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 2 I 7.98 4.16 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 1.27 0.64 0.91 0.00 0.00 3 S 8.11 4.09 0.00 3.81 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 4 D 8.90 4.55 0.00 2.68 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 5 S 7.95 4.17 0.00 3.86 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 6 I 8.08 3.73 2.02 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 1.43 0.60 0.93 0.00 0.00 7 S 7.85 4.24 0.00 3.89 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 8 K 8.02 4.17 0.00 2.09 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.47 1.31 7.81 9 R 7.47 3.99 0.00 1.99 1.87 0.00 3.29 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 10 R 8.16 4.73 0.00 1.78 1.76 0.00 3.43 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 11 S 8.68 4.42 0.00 3.89 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 12 I 8.53 4.49 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 1.47 0.78 0.24 0.00 0.00 13 R 9.35 4.73 0.00 1.76 2.00 0.00 3.22 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 14 K 7.29 4.66 0.00 1.52 1.58 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 15 Y 8.40 5.19 0.00 2.87 2.81 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 16 K 9.08 4.21 0.00 1.78 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.85 1.62 7.81 17 N 8.69 4.65 0.00 2.69 2.78 0.00 0.00 6.74 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 18 Q 7.93 4.49 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 19 S 8.67 4.48 0.00 4.04 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 20 I 7.90 4.71 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.88 0.00 0.00 21 S 8.46 4.33 0.00 4.15 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 22 H 8.55 4.34 0.00 3.21 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.08 4.46 0.00 2.16 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 0.00 2.37 2.21 0.00 24 T 7.75 3.85 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 1.18 0.00 0.00 25 I 7.61 3.63 1.96 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 1.46 0.71 0.83 0.00 0.00 26 E 8.49 3.87 0.00 2.13 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 0.00 2.30 2.43 0.00 27 K 8.03 4.29 0.00 1.89 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.30 7.81 28 I 7.53 3.54 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.71 0.00 0.00 29 I 7.63 3.17 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.42 0.39 0.00 0.00 30 E 8.55 3.84 0.00 2.05 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 2.30 2.41 0.00 31 A 7.64 3.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.42 3.43 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 0.00 33 I 7.42 3.72 2.02 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 1.85 0.74 1.07 0.00 0.00 34 N 7.58 4.66 0.00 2.81 2.85 0.00 0.00 6.97 7.55 0.00 0.00 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 A 7.01 4.16 1.03 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 0.00 0.00 36 P 0.00 4.73 0.00 2.27 2.13 0.00 3.85 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 2.08 2.01 0.00 37 S 8.18 4.71 0.00 3.84 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 38 S 8.63 4.19 0.00 3.87 3.76 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 39 K 9.15 3.74 0.00 1.92 1.86 0.00 1.96 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 40 N 8.22 4.19 0.00 2.77 2.81 0.00 0.00 7.08 7.16 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 1.18 0.00 0.00 50 T 8.23 4.84 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 1.25 0.00 0.00 51 E 8.92 4.00 0.00 2.11 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 2.39 2.45 0.00 52 K 8.14 4.08 0.00 1.98 1.96 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 53 E 8.16 4.71 0.00 2.20 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 2.31 2.47 0.00 54 K 7.62 3.78 0.00 1.74 2.00 0.00 1.95 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 55 E 8.13 3.99 0.00 2.08 1.93 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 2.37 2.34 0.00 56 S 7.62 4.33 0.00 4.03 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 0.00 *58 L 7.95 4.19 0.00 1.75 1.68 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.69 1.65 0.00 119 F 7.83 4.64 0.00 3.23 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 0.00 120 Y 8.44 4.10 0.00 3.23 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 0.00 121 E 8.10 4.20 0.00 2.01 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 0.00 2.36 2.37 0.00 *123 A 7.96 4.43 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 0.00 124 N 8.29 4.36 0.00 2.82 2.88 0.00 0.00 7.02 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 Q 8.25 4.37 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 127 S 8.21 4.34 0.00 4.20 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 0.00 128 I 8.33 4.22 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.10 1.08 0.00 0.00 129 G 8.46 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 0.00 130 A 8.44 4.06 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.84 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.57 3.30 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 -0.95 0.00 0.00 133 Q 8.25 4.23 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 134 N 8.02 4.41 0.00 2.78 2.69 0.00 0.00 7.02 7.52 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 *136 S 8.04 4.33 0.00 4.08 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 0.00 137 L 8.14 4.04 0.00 1.78 1.70 0.93 0.96 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 0.00 138 T 8.13 3.83 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 1.14 0.00 0.00 139 A 7.93 3.90 1.30 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 0.00 140 V 7.56 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 141 E 7.96 3.99 0.00 2.01 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 0.00 142 L 7.58 4.49 0.00 1.79 1.70 0.88 0.96 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 0.00 143 G 8.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.85 4.46 0.00 1.53 1.49 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.16 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.23 5.40 0.00 3.94 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 0.00 147 L 8.89 5.00 0.00 2.11 1.59 1.01 1.12 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 0.00 148 W 9.06 4.84 0.00 3.44 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 0.00 149 I 9.20 4.64 1.94 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 1.26 0.76 0.93 0.00 0.00 150 C 8.63 4.27 0.00 2.75 2.28 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 0.00 151 D 7.99 4.55 0.00 2.76 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 0.00 152 V 7.94 3.82 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 0.95 0.00 0.00 0.90 0.00 0.00 153 Y 7.87 4.64 0.00 2.78 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 0.00 154 F 8.32 4.65 0.00 3.28 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 0.00 155 A 8.43 5.17 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 0.00 156 Y 8.76 4.09 0.00 3.37 3.07 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 0.00 157 R 8.19 4.02 0.00 2.00 2.04 0.00 3.26 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 158 E 8.19 4.03 0.00 2.23 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 2.43 2.50 0.00 159 L 8.47 4.11 0.00 1.71 1.65 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 160 C 8.11 4.07 0.00 2.82 2.88 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 0.00 161 E 8.32 3.87 0.00 2.16 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 2.34 2.33 0.00 162 W 8.10 4.14 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.25 3.59 0.00 1.54 1.53 0.75 0.57 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 0.00 164 N 7.66 4.11 0.00 2.67 2.68 0.00 0.00 6.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.73 4.62 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 1.27 0.00 0.00 166 D 8.47 4.72 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.89 4.42 0.00 3.90 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 0.00 168 Q 8.40 4.65 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.11 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 169 L 8.47 4.53 0.00 1.53 1.35 1.31 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.78 4.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.14 0.00 0.00 171 A 7.45 4.58 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.47 4.88 0.50 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 0.00 173 I 8.43 4.78 1.56 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 1.08 1.34 0.76 0.00 0.00 174 S 8.88 4.97 0.00 3.71 3.47 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 0.00 0.00 0.00 0.00 175 L 8.52 4.97 0.00 1.33 1.30 0.78 0.86 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 0.00 176 G 7.86 3.75 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 0.00 0.00 0.00 177 Y 7.89 4.73 0.00 3.06 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 0.00 178 P 0.00 4.57 0.00 2.19 1.99 0.00 3.91 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 2.03 1.99 0.00 179 D 8.49 5.13 0.00 2.62 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 0.00 180 E 7.84 4.76 0.00 2.03 1.81 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 2.03 2.23 0.00 181 E 8.14 4.62 0.00 1.90 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 2.19 2.29 0.00 182 P 0.00 4.40 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 183 S 8.30 4.32 0.00 3.85 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 0.00 184 R 8.41 3.90 0.00 1.77 1.85 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 185 R 8.27 4.31 0.00 1.82 1.83 0.00 3.50 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 186 P 0.00 4.42 0.00 2.03 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 187 R 8.07 4.69 0.00 1.73 1.76 0.00 3.37 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 188 L 8.43 4.11 0.00 1.63 1.61 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 189 Q 9.10 4.51 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 190 L 8.65 3.97 0.00 1.70 1.76 1.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.12 4.32 0.00 3.94 3.97 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 0.00 0.00 0.00 0.00 192 D 7.97 4.52 0.00 2.86 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 0.00 193 V 7.74 4.38 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 0.70 0.00 0.00 1.01 0.00 0.00 194 T 7.78 4.45 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 0.52 0.00 0.00 195 E 8.49 4.71 0.00 1.87 1.73 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 2.21 2.32 0.00 196 W 8.82 4.68 0.00 3.25 3.14 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 0.00 197 R 8.57 4.30 0.00 1.76 1.80 0.00 3.47 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.