NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 S 4.5135 8.1933 115.5540 57.7288 65.1737 172.6438 41 D 4.5306 8.5950 121.1760 54.0393 41.2284 174.7984 42 A 4.1101 9.4882 127.3584 50.9841 19.5225 175.3669 43 P 4.0011 0.0000 0.0000 63.3933 31.9231 176.8454 44 N 4.6961 8.8174 124.3399 52.6544 37.6288 174.0261 45 F 4.8897 7.9333 119.8368 55.1807 41.3004 174.8564 46 V 5.0491 8.4254 118.1297 61.2763 33.7483 174.4063 47 L 4.9889 8.9279 126.3802 52.9022 46.7075 175.0381 48 E 4.6991 8.7293 122.4106 56.0915 31.1191 176.0877 49 D 5.0744 9.1867 127.4931 52.6966 41.3772 177.1711 50 T 4.1712 8.4799 107.8545 63.3354 68.9226 174.8722 51 N 4.6567 8.3889 118.9766 53.1199 38.7204 175.6455 52 G 3.9973 8.2480 106.1678 45.3329 0.0000 173.3984 53 K 4.6339 8.3660 119.7411 54.3682 34.3161 176.0430 54 R 4.6263 8.6503 124.1143 56.1953 31.1153 175.8352 55 I 4.5128 8.9097 124.7315 59.4170 40.2374 173.9776 56 E 4.8077 8.4834 127.4293 54.1039 31.4423 176.1195 57 L 3.6273 8.0192 129.3354 58.1118 42.5484 179.3162 58 S 4.1068 8.2315 112.6870 60.8664 62.9328 175.5329 59 D 4.5170 7.9703 119.9832 55.9900 40.9608 176.6826 60 L 4.5592 7.9897 119.6639 53.8772 41.9195 176.4579 61 K 4.0583 7.4638 118.4695 58.5407 32.6257 177.3678 62 G 4.0210 9.2118 110.0333 44.8881 0.0000 173.4169 63 K 4.8168 7.6644 118.3265 54.1275 35.9150 176.0927 64 G 4.1097 8.7007 110.0228 45.7762 0.0000 172.7166 65 V 4.9236 8.9304 122.7794 60.9318 34.6288 174.3244 66 F 4.6938 9.4437 132.0988 56.9647 39.8353 173.8006 67 L 4.8679 8.6353 129.3134 53.5455 43.0712 174.1847 68 N 5.2602 8.7268 126.3409 51.7616 41.1783 173.1640 69 F 5.1677 9.4639 126.5182 56.3314 40.8366 175.1495 70 W 5.3143 8.8648 119.7494 55.3849 32.2890 173.6370 71 G 3.8521 8.1077 106.0831 44.2863 0.0000 173.9732 72 T 3.7256 8.9989 112.1469 63.3208 68.9834 175.5806 73 W 4.5015 7.1738 117.3611 57.2320 29.1187 176.0508 74 C 4.2318 7.1519 120.4827 58.2142 31.5324 173.4466 75 E 4.0243 8.8022 128.9328 59.0539 29.3988 177.4980 76 P 4.3473 0.0000 0.0000 65.8975 31.1527 178.3644 77 C 4.3256 7.9847 116.1558 62.8003 28.0252 175.7117 78 K 3.6601 7.9809 118.7240 59.4285 31.6987 178.8877 79 K 4.0359 8.0488 119.0252 59.1492 32.3317 178.0470 80 E 4.1576 7.8627 115.3841 57.7125 29.7684 178.3861 81 F 3.8828 7.7940 118.5165 60.2756 39.3083 174.8100 82 P 4.4933 0.0000 0.0000 65.8759 31.5406 178.3333 83 Y 4.4354 7.3777 113.8924 58.6037 36.8258 177.6836 *85 A 4.6086 8.1492 124.8816 52.5714 19.5859 179.6890 86 N 4.4572 8.4344 113.1961 56.8325 38.6014 177.7764 87 Q 4.3607 8.4214 119.2907 58.8762 28.7741 177.9532 88 Y 4.2814 8.1558 120.3807 60.6315 38.6056 178.0354 89 K 3.9170 7.7592 117.9518 59.3736 32.1319 178.3559 90 H 4.2225 7.4451 115.1296 58.6611 30.2795 176.6311 91 F 4.4851 8.2852 118.1654 58.2715 39.3194 177.8163 92 K 3.9686 8.0606 121.7929 58.6433 31.6445 177.8616 93 S 4.5107 7.6879 110.2173 59.0357 63.4169 174.6899 94 Q 4.5695 7.9841 120.5858 55.4397 29.2609 175.6665 95 G 3.8636 8.1585 108.3223 45.8583 0.0000 172.7415 96 V 4.8680 7.8156 118.9705 60.7785 33.8845 173.8143 97 E 5.0370 9.4637 128.7446 54.6224 32.2855 174.3895 98 I 4.7438 8.3377 126.4580 60.0820 39.0925 175.3603 99 V 4.2918 8.7306 125.8282 61.2463 34.2442 174.4314 100 A 5.0017 8.9869 132.0982 50.5329 20.1980 175.9785 101 V 4.1542 8.5576 123.6104 62.7601 32.4777 174.7604 102 N 3.5728 8.9457 128.6747 53.1850 40.0374 174.6181 103 V 4.2091 7.8298 120.5937 60.9036 30.7605 176.4859 104 G 3.8728 8.7777 112.9590 44.3913 0.0000 171.2625 105 E 4.3791 7.8330 119.2250 54.9689 31.0842 176.5428 106 S 4.4894 8.1159 114.8814 57.7990 65.4134 175.1509 107 K 3.9634 8.5908 122.4256 59.6345 31.7944 179.6212 108 I 3.7032 7.7345 112.5810 64.0399 37.7937 177.9591 109 A 4.0642 8.0085 123.0719 54.7591 17.9837 179.8179 110 V 3.7365 7.8045 115.6803 66.3092 31.6929 177.3379 111 H 4.2974 8.3409 117.1885 59.5470 30.0405 176.6367 112 N 4.6502 8.4599 118.2074 56.1352 38.3196 177.5313 113 F 4.0645 8.1626 119.2912 58.5313 39.1974 176.7103 *115 K 4.1296 7.9880 119.0730 56.0400 33.6478 177.8933 116 S 3.8840 7.8681 113.2076 61.2267 62.6781 174.8665 117 Y 4.0035 7.7247 114.7957 56.5395 38.0793 175.5900 118 G 3.8805 7.5057 108.0150 46.2838 0.0000 174.8957 119 V 3.3282 7.6429 117.7289 62.7136 32.0295 175.1717 120 N 5.0135 8.1852 126.0977 52.8642 39.5287 173.6580 121 F 4.9357 6.7503 111.0964 53.8453 41.6805 172.5196 122 P 4.4637 0.0000 0.0000 63.0898 32.6244 175.5771 123 V 5.0790 8.5566 122.9283 61.3035 34.6265 174.5499 124 V 4.9668 8.8219 120.0365 59.6065 35.7452 174.8645 125 L 4.5667 8.3622 122.9165 52.8906 42.6355 177.1649 126 D 4.5901 8.4045 128.7453 52.9415 39.7649 177.0949 127 T 3.8644 7.8084 119.9839 65.9042 68.9385 175.9316 128 D 4.8571 7.9953 118.5834 53.4495 41.5007 176.7499 129 R 4.6082 8.0307 116.6643 57.4431 28.5938 178.4391 130 Q 4.0119 7.6630 119.8880 59.0652 28.5707 178.7672 131 V 3.7080 8.4245 119.4043 65.5460 31.5586 177.5264 132 L 3.6695 8.6755 120.7330 58.4737 41.8059 178.7023 133 D 4.2615 8.1670 117.3890 57.2779 40.9646 178.0092 134 A 4.0067 7.9834 120.3128 54.7850 18.4574 178.2121 135 Y 3.8551 7.8992 112.3423 56.7746 38.6683 175.1017 136 D 4.3361 7.7138 118.9573 55.1098 39.1483 174.0725 137 V 3.8830 7.5289 117.4390 62.0355 32.5245 175.0022 138 S 4.5965 7.8503 118.5694 57.4241 64.6591 174.8020 139 P 4.7278 0.0000 0.0000 61.7986 33.3407 174.6183 140 L 4.7326 8.0740 117.3925 52.4635 43.6783 174.8012 141 P 5.0078 0.0000 0.0000 62.6872 33.1711 175.0402 142 T 5.0092 8.4634 116.2941 62.1569 72.7225 172.8901 143 T 4.9872 8.7724 122.1034 61.6807 72.1764 172.7659 144 F 4.7231 9.1958 125.0627 55.6492 41.7321 174.7091 145 L 4.6773 8.7422 124.6050 53.6142 42.9343 175.4578 146 I 5.0562 8.5785 126.2116 59.3709 39.6997 176.0001 147 N 5.0091 9.0624 125.2559 51.3515 39.0174 174.4532 148 P 4.7604 0.0000 0.0000 64.5479 31.4259 177.8454 149 E 4.2829 8.3693 115.8912 56.1997 29.8740 176.8564 150 G 3.9236 8.6423 108.2745 45.4841 0.0000 173.0137 151 K 4.7448 8.2182 119.1304 54.3510 33.5780 175.9846 152 V 4.3140 8.5035 124.2663 63.1571 31.0933 175.9289 153 V 4.1598 8.7656 128.8432 63.1791 32.7955 176.2197 154 K 4.4200 7.5497 119.4552 55.3015 35.3339 174.0933 155 V 4.4311 8.2112 124.9731 60.8826 34.5762 174.7638 156 V 4.2133 8.3157 126.3550 61.4086 34.3328 173.9990 157 T 4.7736 8.7282 124.4463 63.0521 70.5760 174.8704 158 G 3.8705 8.9042 111.9713 44.7367 0.0000 172.9611 159 T 4.6778 8.0101 111.8054 61.1420 68.3876 172.9019 *161 T 4.1231 8.0271 109.9166 61.2470 69.9568 173.3091 162 E 3.8947 7.7274 122.4269 59.4470 29.9845 179.6955 163 S 4.2924 7.6960 110.7687 58.6945 62.1973 175.5288 *165 I 4.1816 7.9033 121.1544 61.1482 38.8856 177.3978 166 H 4.2614 8.2933 118.8589 59.3255 29.9486 175.9206 167 D 4.4597 7.9382 118.4263 57.4886 40.8899 178.2460 168 Y 4.7048 7.1552 113.0254 58.8011 36.9748 177.6632 *170 N 4.6679 8.2211 119.9417 53.4106 40.5996 176.9457 171 L 3.8536 7.7708 117.1670 56.7972 41.7564 177.7629 172 I 4.4002 7.2775 109.8560 60.0023 38.4382 175.6736 173 K 4.2425 7.4446 121.1965 56.1061 33.0299 175.6893 174 P 4.3664 0.0000 0.0000 64.2821 31.6879 176.5562 175 G 3.7723 7.9612 111.7972 46.4134 0.0000 172.2394 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 40 S 8.19 4.51 0.00 3.90 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 41 D 8.60 4.53 0.00 2.62 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 42 A 9.49 4.11 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 43 P 0.00 4.00 0.00 1.62 1.86 0.00 2.64 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.77 0.00 44 N 8.82 4.70 0.00 2.69 2.74 0.00 0.00 7.12 7.02 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 45 F 7.93 4.89 0.00 3.28 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.43 5.05 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 0.88 0.00 0.00 0.93 0.00 0.00 47 L 8.93 4.99 0.00 1.76 1.53 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.73 4.70 0.00 2.08 1.84 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 2.40 2.33 0.00 49 D 9.19 5.07 0.00 3.01 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 50 T 8.48 4.17 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 1.33 0.00 0.00 51 N 8.39 4.66 0.00 2.89 2.90 0.00 0.00 7.05 7.65 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 52 G 8.25 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 0.00 0.00 0.00 53 K 8.37 4.63 0.00 1.91 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 R 8.65 4.63 0.00 1.71 1.89 0.00 3.35 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 55 I 8.91 4.51 1.93 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 1.30 1.00 0.90 0.00 0.00 56 E 8.48 4.81 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 57 L 8.02 3.63 0.00 0.71 1.47 0.90 0.79 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 58 S 8.23 4.11 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 59 D 7.97 4.52 0.00 2.82 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 7.99 4.56 0.00 1.82 1.68 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.46 4.06 0.00 1.90 1.90 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.41 7.81 62 G 9.21 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 63 K 7.66 4.82 0.00 1.93 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 64 G 8.70 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 0.00 0.00 0.00 65 V 8.93 4.92 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 1.08 0.00 0.00 0.97 0.00 0.00 66 F 9.44 4.69 0.00 3.09 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.64 4.87 0.00 1.84 1.76 0.82 -0.14 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 68 N 8.73 5.26 0.00 2.73 2.57 0.00 0.00 6.89 7.24 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 69 F 9.46 5.17 0.00 3.15 2.94 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 70 W 8.86 5.31 0.00 3.45 3.30 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 71 G 8.11 3.85 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 0.00 0.00 0.00 72 T 9.00 3.73 4.48 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 1.27 0.00 0.00 73 W 7.17 4.50 0.00 3.64 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.15 4.23 0.00 1.73 2.54 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 0.00 0.00 0.00 0.00 75 E 8.80 4.02 0.00 2.09 2.05 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 2.51 2.40 0.00 76 P 0.00 4.35 0.00 2.29 2.35 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 77 C 7.98 4.33 0.00 3.20 3.23 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 78 K 7.98 3.66 0.00 1.92 1.93 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.41 1.70 7.81 79 K 8.05 4.04 0.00 1.89 2.01 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.48 7.81 80 E 7.86 4.16 0.00 2.41 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 2.60 2.29 0.00 81 F 7.79 3.88 0.00 2.77 3.12 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 0.00 0.00 0.00 0.00 82 P 0.00 4.49 0.00 2.00 2.11 0.00 3.51 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 83 Y 7.38 4.44 0.00 3.10 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 *85 A 8.15 4.61 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.43 4.46 0.00 3.10 3.01 0.00 0.00 7.08 7.15 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 87 Q 8.42 4.36 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 88 Y 8.16 4.28 0.00 2.96 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 89 K 7.76 3.92 0.00 2.02 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.77 7.81 90 H 7.45 4.22 0.00 3.00 3.34 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.29 4.49 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.06 3.97 0.00 0.82 1.43 0.00 1.29 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.08 7.81 93 S 7.69 4.51 0.00 3.99 3.86 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 94 Q 7.98 4.57 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 95 G 8.16 3.86 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 0.00 0.00 0.00 96 V 7.82 4.87 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 0.98 0.00 0.00 0.98 0.00 0.00 97 E 9.46 5.04 0.00 2.16 1.84 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 2.29 2.38 0.00 98 I 8.34 4.74 1.21 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 0.27 0.00 0.00 99 V 8.73 4.29 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 1.07 0.00 0.00 1.00 0.00 0.00 100 A 8.99 5.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.56 4.15 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 0.50 0.00 0.00 0.18 0.00 0.00 102 N 8.95 3.57 0.00 1.99 2.32 0.00 0.00 6.78 7.94 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 0.00 103 V 7.83 4.21 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 0.75 0.00 0.00 0.96 0.00 0.00 104 G 8.78 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 0.00 105 E 7.83 4.38 0.00 1.97 1.85 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 2.33 2.36 0.00 106 S 8.12 4.49 0.00 4.05 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 0.00 107 K 8.59 3.96 0.00 1.84 1.95 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 108 I 7.73 3.70 1.89 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 1.59 0.70 0.92 0.00 0.00 109 A 8.01 4.06 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 0.00 110 V 7.80 3.74 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 1.05 0.00 0.00 0.85 0.00 0.00 111 H 8.34 4.30 0.00 3.28 3.50 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.46 4.65 0.00 3.04 2.94 0.00 0.00 6.71 7.48 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 0.00 113 F 8.16 4.06 0.00 3.32 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 *115 K 7.99 4.13 0.00 1.83 1.98 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 116 S 7.87 3.88 0.00 3.85 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 0.00 117 Y 7.72 4.00 0.00 2.54 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 0.00 118 G 7.51 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 0.00 0.00 0.00 119 V 7.64 3.33 1.85 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 -0.10 0.00 0.00 0.84 0.00 0.00 120 N 8.19 5.01 0.00 2.77 2.88 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 6.75 4.94 0.00 2.29 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.46 0.00 2.33 2.10 0.00 3.72 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 2.44 2.19 0.00 123 V 8.56 5.08 2.21 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 1.45 0.00 0.00 1.11 0.00 0.00 124 V 8.82 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 0.82 0.00 0.00 0.92 0.00 0.00 125 L 8.36 4.57 0.00 1.52 1.59 0.94 1.02 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 0.00 126 D 8.40 4.59 0.00 2.62 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 0.00 127 T 7.81 3.86 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 1.20 0.00 0.00 128 D 8.00 4.86 0.00 2.68 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 0.00 129 R 8.03 4.61 0.00 2.05 1.99 0.00 3.12 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 130 Q 7.66 4.01 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 131 V 8.42 3.71 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 0.44 0.00 0.00 0.85 0.00 0.00 132 L 8.68 3.67 0.00 1.93 1.87 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.17 4.26 0.00 2.91 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 0.00 134 A 7.98 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.90 3.86 0.00 2.60 2.43 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 0.00 136 D 7.71 4.34 0.00 2.82 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 0.00 137 V 7.53 3.88 1.67 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 0.54 0.00 0.00 0.43 0.00 0.00 138 S 7.85 4.60 0.00 3.81 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 0.00 139 P 0.00 4.73 0.00 2.26 2.11 0.00 3.78 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 1.96 1.99 0.00 140 L 8.07 4.73 0.00 1.56 1.55 0.84 1.04 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 0.00 141 P 0.00 5.01 0.00 2.14 2.24 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 142 T 8.46 5.01 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 143 T 8.77 4.99 3.83 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 0.19 0.00 0.00 144 F 9.20 4.72 0.00 3.07 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 0.00 145 L 8.74 4.68 0.00 1.57 1.57 0.53 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.58 5.06 2.07 0.00 0.00 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 1.43 0.95 1.00 0.00 0.00 147 N 9.06 5.01 0.00 2.86 2.99 0.00 0.00 6.60 8.54 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 0.00 148 P 0.00 4.76 0.00 2.22 2.22 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 149 E 8.37 4.28 0.00 2.09 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 2.28 2.37 0.00 150 G 8.64 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 0.00 0.00 0.00 151 K 8.22 4.74 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 152 V 8.50 4.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.09 0.00 0.00 153 V 8.77 4.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 154 K 7.55 4.42 0.00 1.74 1.47 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.30 7.81 155 V 8.21 4.43 1.87 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 0.22 0.00 0.00 0.85 0.00 0.00 156 V 8.32 4.21 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 0.86 0.00 0.00 0.21 0.00 0.00 157 T 8.73 4.77 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 1.18 0.00 0.00 158 G 8.90 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 0.00 159 T 8.01 4.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 *161 T 8.03 4.12 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 1.20 0.00 0.00 162 E 7.73 3.89 0.00 1.27 1.66 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 2.30 2.28 0.00 163 S 7.70 4.29 0.00 3.78 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 *165 I 7.90 4.18 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.65 0.00 0.00 166 H 8.29 4.26 0.00 3.25 3.50 0.00 5.95 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 0.00 167 D 7.94 4.46 0.00 2.76 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 0.00 168 Y 7.16 4.70 0.00 3.42 2.94 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 *170 N 8.22 4.67 0.00 2.97 2.97 0.00 0.00 7.03 6.74 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 0.00 171 L 7.77 3.85 0.00 1.88 1.78 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.28 4.40 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.94 0.00 0.00 173 K 7.44 4.24 0.00 2.19 1.99 0.00 1.74 0.00 0.00 2.05 0.00 0.00 3.16 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.73 1.45 7.81 174 P 0.00 4.37 0.00 2.22 2.36 0.00 4.16 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 2.02 2.14 0.00 175 G 7.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.