NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4101 8.1749 117.3963 62.9287 69.8899 173.5586 3 L 3.6088 8.3507 124.2152 54.2534 42.2206 174.7045 4 H 4.6908 8.8355 121.5953 54.1288 31.9232 175.1238 5 K 3.9615 8.7880 127.0440 59.7234 32.1827 178.3517 6 E 4.1613 8.3809 117.0970 58.5104 29.7831 177.8076 7 R 4.7643 7.3825 114.8728 55.6125 29.7634 178.5805 8 R 3.9948 7.6795 118.4308 56.7494 30.0441 176.0055 9 I 3.1462 8.1958 124.9952 63.9306 37.8082 177.5919 10 G 3.5511 7.8105 105.9270 47.7445 0.0000 175.6561 11 R 3.8564 7.7296 120.7346 59.1195 29.7701 178.4196 12 L 3.9149 8.0661 119.4438 57.6517 40.9906 179.6245 13 S 4.1555 7.8137 113.8074 60.9290 63.1496 176.8126 14 V 3.6870 7.5637 121.7668 65.8270 31.5270 178.0533 15 L 4.0218 7.9176 118.9461 57.3651 41.2297 178.7074 16 L 4.3236 7.3818 116.1005 56.9519 40.7702 177.9861 17 L 4.3894 7.5298 119.1705 56.6029 42.4858 178.3132 18 L 3.9860 7.6508 117.6916 56.5607 42.0827 177.2687 19 N 4.7117 6.9696 113.3519 52.4474 39.5085 175.3093 20 E 4.3055 8.1755 119.4933 55.5530 29.6054 175.8098 *26 Q 4.3643 8.2459 123.5459 55.3666 30.7874 176.3333 27 V 3.9061 7.9375 116.7792 66.0567 31.7508 177.6285 28 E 4.1538 8.3086 119.9631 60.2423 29.5555 179.4784 29 E 4.0827 8.2249 117.5339 61.3979 29.5739 180.8873 30 L 4.6150 9.1511 117.9199 56.5777 41.8106 178.5083 31 E 4.6643 8.6192 120.3011 57.7997 29.8596 178.4167 32 R 4.2893 7.9101 115.2219 58.0931 30.0939 176.4534 33 D 4.4888 8.0464 120.7882 53.2951 40.6526 173.6874 34 G 4.4693 8.3150 116.6632 44.9801 0.0000 170.1371 35 W 5.3240 8.9671 122.4189 55.1439 33.8633 174.3129 36 K 4.7035 9.1130 124.7799 55.7202 32.5459 176.1259 37 V 4.9693 8.4151 124.5360 61.4171 35.0160 174.2899 38 C 4.7425 8.5623 124.5697 58.2928 35.0940 172.6879 39 L 5.0217 8.5301 125.7754 53.5194 44.0945 175.4320 40 G 3.2529 7.7674 107.5085 45.2501 0.0000 171.6629 41 K 5.1337 7.9633 120.4838 54.8484 35.2307 175.5750 42 V 4.6214 9.2801 126.8154 60.3284 35.1850 173.8419 43 G 4.3491 8.5294 110.3896 44.7101 0.0000 171.3410 44 S 4.7079 8.5471 118.5053 57.9110 66.8471 174.3673 45 M 4.6579 8.5669 116.0173 54.6296 31.1000 174.4851 46 D 5.0943 8.0513 119.9313 52.3613 43.7499 177.1224 47 A 4.0140 8.5548 125.8620 55.2288 18.4619 179.3203 48 H 4.3037 8.0621 113.1402 58.3331 28.6117 177.9691 49 K 3.9482 7.4317 121.1076 59.2560 31.8982 179.3410 50 V 3.4784 7.5929 118.0415 65.9852 31.4156 177.9998 51 I 3.5395 7.5364 118.7866 64.3463 36.9627 178.3475 52 A 3.9787 8.0573 121.3957 55.0096 18.1677 179.5978 53 A 3.9717 8.2902 119.7926 55.3224 18.5198 180.0038 54 I 2.9846 7.4290 118.3670 64.0270 37.1962 178.3218 55 E 3.9182 8.3960 120.5841 59.4595 29.4151 178.9333 56 T 3.8556 8.0355 115.5042 66.7683 68.5956 176.5110 57 A 4.0766 8.0384 122.5232 55.4102 18.4359 179.8488 58 S 4.2672 8.2384 113.2538 61.0696 62.6273 176.9538 59 K 4.2440 7.7637 120.4577 58.9394 32.1263 179.1668 60 K 4.1359 8.1381 118.1282 58.6538 32.4928 178.1432 61 S 4.4056 7.3684 112.6888 57.9888 63.5863 174.6905 62 G 3.9402 8.4014 110.3627 46.0454 0.0000 175.8148 63 V 3.8063 8.1025 121.2719 64.7753 31.9318 175.8330 64 I 4.8539 7.5581 110.5871 58.4176 40.3655 175.0661 65 Q 4.1191 9.1631 121.8202 56.3293 29.0776 177.0570 66 S 4.3067 8.6688 116.9589 60.4864 62.9427 174.3299 67 E 4.1628 7.9896 117.4667 56.6565 30.3816 176.7937 68 G 3.9704 8.8658 107.6739 45.8936 0.0000 172.3925 69 Y 4.7220 8.2283 116.5823 58.5209 40.1257 176.7358 70 R 3.6800 8.0912 119.1692 60.1675 30.0866 177.9119 71 E 4.0648 7.9942 117.0881 58.9424 29.7262 179.3027 72 S 4.2091 7.9294 115.1179 61.5110 63.0137 175.8234 73 H 3.9886 8.1494 121.4221 58.8729 29.4911 177.2129 74 A 4.1663 7.7288 123.6624 54.3720 18.1780 179.3915 75 L 3.9430 7.9062 118.8685 58.1897 42.1692 178.2784 76 Y 3.9064 8.0550 119.5753 61.1370 38.7780 177.7918 77 H 4.1276 8.3583 116.5356 58.8740 28.9267 177.6062 78 A 4.0456 8.0136 122.4736 55.5179 18.1082 179.9506 79 T 3.7341 7.8504 114.1201 67.0282 68.3198 176.8872 80 M 3.8565 7.5087 119.3177 58.1452 31.6715 177.9822 81 E 4.1363 8.1760 119.2220 59.5684 29.8396 179.0017 82 A 4.1840 7.9382 119.8728 54.9153 18.4239 179.2205 83 L 4.0702 7.8521 117.2967 57.5372 41.5311 179.2290 84 H 4.3590 7.3985 117.6267 58.2586 28.4079 177.8802 85 G 3.4918 8.0804 106.0601 47.7576 0.0000 175.4745 86 V 4.3278 7.9081 120.8770 65.1476 31.8347 177.3875 87 T 4.1602 8.3849 109.3150 61.6173 70.4642 174.2687 88 R 3.9326 9.3792 119.6577 55.1163 27.0912 173.5205 89 G 3.8052 7.2980 110.5592 44.6197 0.0000 171.6593 90 E 4.5750 7.7023 120.4104 53.7987 32.2404 177.4534 91 M 4.4134 8.4443 126.6402 54.5137 30.6398 175.1895 92 L 4.8068 7.2802 118.7059 52.9713 46.1701 174.8242 93 L 4.4957 7.7759 118.4841 55.9771 44.7736 178.7262 94 G 3.6881 8.2179 115.2798 49.0835 0.0000 174.9754 95 S 4.3561 8.0113 114.4458 60.2658 63.0685 174.2779 96 L 4.6694 7.2786 120.1043 54.5018 42.8992 175.9001 97 L 3.6077 8.2225 115.4497 55.4162 40.3424 172.4225 98 R 4.9061 7.9315 114.4390 55.8684 34.0021 175.0493 99 T 4.7715 9.0796 113.4728 61.0029 71.2755 172.5165 100 V 4.8972 8.8778 118.0707 59.5811 36.1671 175.6089 101 G 4.1642 8.7715 109.0306 44.8631 0.0000 171.4971 102 L 5.3257 9.3129 126.8173 52.4006 45.8545 175.8360 103 R 5.1171 9.0952 119.7848 54.3113 33.7558 174.7708 104 F 6.1288 8.5248 117.2429 54.0110 41.3442 173.5980 105 A 5.1437 8.7436 122.8487 50.2293 21.5762 175.0680 106 V 4.6444 9.0041 123.7964 61.3732 33.4286 173.8718 107 L 4.8417 9.1462 131.1875 53.3597 44.4576 175.0917 108 R 5.3226 10.0204 125.2413 54.0253 34.1319 175.5358 109 G 3.9445 7.7744 111.8124 45.2370 0.0000 169.9581 110 N 5.3326 7.8253 119.1250 51.5597 39.8246 172.5398 111 P 4.9089 0.0000 0.0000 62.7385 31.8745 174.5230 112 Y 4.9224 7.4390 114.9664 56.4729 41.5307 175.6849 113 E 4.1794 9.1987 121.7931 59.7192 30.1330 178.2001 114 S 4.3463 7.9599 113.3003 57.9263 63.3373 174.7687 115 E 4.1182 8.8330 126.0033 59.1740 29.5335 179.0026 116 A 4.1018 7.6104 121.0035 54.5018 18.4757 178.1490 117 E 3.9861 7.8154 114.8810 56.7954 29.9112 177.9772 118 G 4.0217 8.0516 107.8875 44.6780 0.0000 172.7243 119 D 4.9984 8.2737 117.3108 54.4204 42.1638 175.9602 120 W 5.5202 9.7256 120.4855 55.1376 34.3389 173.8617 121 I 5.2719 9.5553 121.7541 59.2677 41.0451 173.9194 122 A 5.3164 9.3196 130.4756 50.1589 21.9488 174.8160 123 V 4.8068 8.8518 123.2360 61.3917 33.9547 174.5148 124 S 5.4261 9.1404 124.3358 56.7478 66.3059 173.2811 125 L 5.3488 9.2274 123.3582 53.2253 45.0919 174.9335 126 Y 4.9442 8.3404 124.6408 53.3602 42.1749 174.5316 127 G 4.3722 6.7756 114.0337 46.2944 0.0000 172.9971 128 T 4.7880 7.4931 113.4723 59.4480 71.9603 172.7596 129 I 4.8665 8.4528 123.0863 59.1169 41.0898 175.2108 130 G 3.9710 8.0613 113.4424 45.6108 0.0000 172.3816 131 A 4.3593 8.4904 122.6652 51.3927 18.8941 176.2276 132 P 4.3450 0.0000 0.0000 65.6506 31.5227 177.8565 133 I 3.8874 7.7040 121.2259 61.3542 37.5779 177.8687 134 K 4.0790 8.7773 126.2419 56.9346 31.6877 175.9235 135 G 3.8924 7.9586 103.8234 46.3358 0.0000 173.8662 136 L 4.6702 7.2406 120.1456 53.1051 41.6123 175.0653 137 E 5.1564 8.0683 119.1483 55.4437 32.4537 173.8242 138 H 5.1285 8.5025 116.0950 53.4608 32.6850 172.3936 139 E 4.7594 8.7418 117.6480 56.6930 30.1973 176.4999 140 T 4.8505 7.9020 114.3012 61.0795 71.1116 172.2016 141 F 5.7916 8.2081 124.4096 54.3781 43.8399 174.2982 142 G 4.7786 7.9770 104.1061 46.1857 0.0000 172.4430 143 V 5.0057 8.8103 125.1773 61.0556 34.4565 174.5347 144 G 4.6692 9.1714 115.3933 43.6765 0.0000 171.6325 145 I 5.2561 8.4987 125.8723 59.6220 39.2577 174.5848 146 N 5.2489 9.2550 124.6537 52.1096 42.8579 173.0490 147 H 3.4031 8.3317 120.2405 55.0149 29.6356 174.9353 148 I 3.9789 7.5823 120.4087 61.0963 37.5624 174.9650 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 T 8.17 4.41 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 1.22 0.00 0.00 3 L 8.35 3.61 0.00 1.60 1.42 0.82 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.84 4.69 0.00 3.25 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.79 3.96 0.00 1.74 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 6 E 8.38 4.16 0.00 2.04 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 0.00 2.34 2.34 0.00 7 R 7.38 4.76 0.00 2.62 2.46 0.00 2.96 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 8 R 7.68 3.99 0.00 1.80 1.85 0.00 3.08 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 9 I 8.20 3.15 1.81 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.88 0.00 0.00 10 G 7.81 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.73 3.86 0.00 1.82 1.98 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 12 L 8.07 3.91 0.00 1.31 1.39 0.41 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.81 4.16 0.00 4.05 4.08 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 14 V 7.56 3.69 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 1.09 0.00 0.00 1.00 0.00 0.00 15 L 7.92 4.02 0.00 1.75 1.66 0.87 0.36 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 16 L 7.38 4.32 0.00 1.78 1.87 0.89 0.92 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 17 L 7.53 4.39 0.00 1.87 1.79 1.09 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 18 L 7.65 3.99 0.00 1.52 1.56 0.89 0.27 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 19 N 6.97 4.71 0.00 2.72 2.73 0.00 0.00 6.84 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 20 E 8.18 4.31 0.00 1.99 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 2.16 2.23 0.00 *26 Q 8.25 4.36 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.89 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.94 3.91 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 1.06 0.00 0.00 0.92 0.00 0.00 28 E 8.31 4.15 0.00 2.11 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 2.45 0.00 29 E 8.22 4.08 0.00 1.97 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 2.32 1.99 0.00 30 L 9.15 4.62 0.00 1.76 1.85 0.88 0.61 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 31 E 8.62 4.66 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 32 R 7.91 4.29 0.00 1.98 2.08 0.00 3.22 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 33 D 8.05 4.49 0.00 3.02 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 34 G 8.31 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 35 W 8.97 5.32 0.00 3.53 3.05 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 36 K 9.11 4.70 0.00 1.83 1.82 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 37 V 8.42 4.97 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 0.79 0.00 0.00 1.05 0.00 0.00 38 C 8.56 4.74 0.00 3.05 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 39 L 8.53 5.02 0.00 1.47 1.40 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.77 3.25 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 0.00 41 K 7.96 5.13 0.00 1.59 1.57 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.51 7.81 42 V 9.28 4.62 2.31 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 0.83 0.00 0.00 0.96 0.00 0.00 43 G 8.53 4.35 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 0.00 0.00 0.00 44 S 8.55 4.71 0.00 3.83 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 45 M 8.57 4.66 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 46 D 8.05 5.09 0.00 2.51 2.31 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 47 A 8.55 4.01 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 48 H 8.06 4.30 0.00 3.43 3.60 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 49 K 7.43 3.95 0.00 1.84 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.13 1.47 7.81 50 V 7.59 3.48 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 0.95 0.00 0.00 0.93 0.00 0.00 51 I 7.54 3.54 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.86 0.00 0.00 52 A 8.06 3.98 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 53 A 8.29 3.97 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 54 I 7.43 2.98 1.65 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.18 0.72 0.00 0.00 55 E 8.40 3.92 0.00 2.12 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 2.33 2.39 0.00 56 T 8.04 3.86 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 1.25 0.00 0.00 57 A 8.04 4.08 1.65 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 58 S 8.24 4.27 0.00 3.98 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 59 K 7.76 4.24 0.00 2.03 1.89 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.60 7.81 60 K 8.14 4.14 0.00 1.87 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 61 S 7.37 4.41 0.00 4.04 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 62 G 8.40 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 63 V 8.10 3.81 2.31 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 0.92 0.00 0.00 1.00 0.00 0.00 64 I 7.56 4.85 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 1.33 0.91 0.94 0.00 0.00 65 Q 9.16 4.12 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 66 S 8.67 4.31 0.00 3.85 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 67 E 7.99 4.16 0.00 2.13 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 2.26 0.00 68 G 8.87 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 0.00 0.00 0.00 69 Y 8.23 4.72 0.00 2.95 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 70 R 8.09 3.68 0.00 1.88 1.90 0.00 3.20 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 71 E 7.99 4.06 0.00 2.04 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 2.37 2.38 0.00 72 S 7.93 4.21 0.00 4.06 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 73 H 8.15 3.99 0.00 2.15 3.10 0.00 5.59 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 74 A 7.73 4.17 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 75 L 7.91 3.94 0.00 1.90 1.68 0.92 0.79 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 76 Y 8.06 3.91 0.00 3.21 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 77 H 8.36 4.13 0.00 3.30 3.30 0.00 5.68 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 78 A 8.01 4.05 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 79 T 7.85 3.73 4.10 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 1.02 0.00 0.00 80 M 7.51 3.86 0.00 1.89 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 81 E 8.18 4.14 0.00 2.37 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 2.36 2.44 0.00 82 A 7.94 4.18 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 83 L 7.85 4.07 0.00 1.78 1.64 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.40 4.36 0.00 3.48 3.36 0.00 5.83 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 85 G 8.08 3.49 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 0.00 0.00 0.00 0.00 86 V 7.91 4.33 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 0.91 0.00 0.00 1.01 0.00 0.00 87 T 8.38 4.16 4.50 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 1.23 0.00 0.00 88 R 9.38 3.93 0.00 1.96 2.03 0.00 3.20 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 89 G 7.30 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 0.00 0.00 0.00 90 E 7.70 4.58 0.00 1.93 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 2.21 2.20 0.00 91 M 8.44 4.41 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 92 L 7.28 4.81 0.00 1.60 1.48 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.78 4.50 0.00 1.77 1.60 0.87 0.85 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 94 G 8.22 3.69 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 0.00 0.00 0.00 95 S 8.01 4.36 0.00 3.87 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 96 L 7.28 4.67 0.00 1.57 1.61 0.92 0.98 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 97 L 8.22 3.61 0.00 1.70 1.65 0.91 0.92 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 98 R 7.93 4.91 0.00 1.98 1.94 0.00 2.79 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 99 T 9.08 4.77 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 1.22 0.00 0.00 100 V 8.88 4.90 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 0.65 0.00 0.00 0.94 0.00 0.00 101 G 8.77 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 0.00 102 L 9.31 5.33 0.00 1.69 1.57 0.90 0.89 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 0.00 103 R 9.10 5.12 0.00 1.67 1.71 0.00 3.04 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 104 F 8.52 6.13 0.00 3.13 3.09 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 0.00 105 A 8.74 5.14 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 0.00 106 V 9.00 4.64 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 0.99 0.00 0.00 1.11 0.00 0.00 107 L 9.15 4.84 0.00 1.68 1.41 0.81 -0.02 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 0.00 108 R 10.02 5.32 0.00 2.02 1.96 0.00 3.33 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 109 G 7.77 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 0.00 110 N 7.83 5.33 0.00 2.83 2.70 0.00 0.00 6.82 7.69 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 0.00 111 P 0.00 4.91 0.00 1.93 2.62 0.00 3.74 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.15 0.00 112 Y 7.44 4.92 0.00 3.03 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 0.00 113 E 9.20 4.18 0.00 2.04 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 2.42 2.38 0.00 114 S 7.96 4.35 0.00 3.88 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 0.00 115 E 8.83 4.12 0.00 2.09 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 2.40 2.32 0.00 116 A 7.61 4.10 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 0.00 117 E 7.82 3.99 0.00 2.01 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 0.00 1.47 2.29 0.00 118 G 8.05 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 0.00 0.00 0.00 119 D 8.27 5.00 0.00 2.73 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 0.00 120 W 9.73 5.52 0.00 3.51 3.25 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 0.00 121 I 9.56 5.27 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.80 1.04 0.00 0.00 122 A 9.32 5.32 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 0.00 123 V 8.85 4.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 124 S 9.14 5.43 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.23 5.35 0.00 1.54 1.54 0.92 0.53 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 0.00 126 Y 8.34 4.94 0.00 2.64 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 0.00 127 G 6.78 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.49 4.79 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 1.08 0.00 0.00 129 I 8.45 4.87 1.81 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 1.17 1.56 0.90 0.00 0.00 130 G 8.06 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 0.00 0.00 0.00 131 A 8.49 4.36 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 0.00 132 P 0.00 4.34 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 133 I 7.70 3.89 1.86 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 1.27 1.14 0.90 0.00 0.00 134 K 8.78 4.08 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 135 G 7.96 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 0.00 136 L 7.24 4.67 0.00 1.63 1.62 0.92 0.68 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 0.00 137 E 8.07 5.16 0.00 1.90 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 2.15 2.24 0.00 138 H 8.50 5.13 0.00 3.24 3.44 0.00 5.46 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.74 4.76 0.00 2.06 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 2.35 2.23 0.00 140 T 7.90 4.85 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 1.09 0.00 0.00 141 F 8.21 5.79 0.00 2.97 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 0.00 142 G 7.98 4.78 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 0.00 143 V 8.81 5.01 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 0.86 0.00 0.00 1.00 0.00 0.00 144 G 9.17 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 5.26 2.03 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 1.30 1.04 1.17 0.00 0.00 146 N 9.26 5.25 0.00 2.80 2.57 0.00 0.00 6.58 7.17 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 0.00 147 H 8.33 3.40 0.00 2.33 1.48 0.00 5.53 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.58 3.98 1.85 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 1.06 0.89 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.