NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4132 8.3049 120.3486 55.6981 34.4470 176.8306 2 N 4.6520 7.9004 116.3577 52.2727 37.4787 174.1889 3 R 4.6742 7.9786 112.0165 57.6152 33.6506 178.9660 4 G 3.8640 8.1560 109.4796 48.4188 0.0000 176.6713 5 A 3.9688 7.7222 121.4559 54.2769 18.8358 178.5298 6 L 3.9917 7.9385 117.3176 58.4804 41.8339 179.4431 7 I 3.6896 8.1103 118.6992 64.3079 37.2788 178.0287 8 K 4.4041 7.6461 117.6963 56.9705 32.1148 177.1508 9 L 5.2526 7.6302 119.4045 54.5726 43.0650 177.2007 10 V 4.2019 7.7665 117.3684 64.6414 33.9640 176.0118 11 E 4.0069 8.3423 118.9109 59.4838 29.5852 177.0481 12 S 3.8843 7.6826 113.6357 57.7504 60.8851 173.8631 13 R 4.7164 7.6011 132.6164 57.2831 30.7395 175.1344 14 Y 4.7433 7.8935 112.9880 56.8411 40.0171 176.6396 15 V 3.7219 7.7715 119.1350 62.4642 31.2902 175.7865 16 R 4.4016 8.5013 123.2542 54.5240 31.0141 174.5324 17 T 4.4410 8.3172 118.0544 59.7553 68.4051 174.3329 18 D 5.3581 8.1159 135.0000 54.4387 39.0123 177.1145 19 L 4.0441 7.6855 120.2216 53.3688 42.2050 175.0969 20 P 4.3101 0.0000 0.0000 62.6653 31.5197 174.4997 21 E 4.9561 8.3350 118.3574 55.0123 31.9928 175.1612 22 F 4.9229 8.5612 117.6145 57.1798 40.3139 173.1783 23 R 4.4839 9.3912 122.5013 57.7126 30.1133 171.6291 24 P 4.4955 0.0000 0.0000 63.9051 31.5082 176.5991 25 G 4.3742 12.0000 112.0101 45.1822 0.0000 176.1745 26 D 4.6528 9.1570 130.1076 53.6195 43.2721 172.5998 27 T 4.8250 9.9296 127.1093 62.2331 70.3270 172.8584 28 V 4.0689 7.7660 118.7100 61.4947 32.9014 169.6293 29 R 4.5851 8.6083 127.4322 55.1902 32.8092 174.1178 30 V 4.1104 7.6043 117.6665 59.8617 33.1377 174.9936 31 S 4.2057 8.5822 115.6586 58.9087 64.7980 177.4803 32 Y 4.3759 6.7904 112.6743 56.2964 42.1312 177.5381 33 K 4.3275 9.3107 120.9178 56.9355 30.0082 174.9053 34 V 4.2381 8.4646 123.8645 62.1846 31.6261 176.0881 35 K 4.3333 7.8300 118.5967 55.6906 34.4997 175.5682 36 E 3.7281 8.9750 116.4490 57.3211 27.3387 173.7843 37 G 4.0900 8.3820 102.0384 45.1662 0.0000 173.0949 38 N 4.9024 7.8053 115.0702 52.0569 40.5726 174.2165 39 R 4.4193 8.2718 116.1193 56.3719 30.3784 175.5824 40 T 4.6264 7.6668 106.2663 59.3228 72.3375 172.4531 41 R 4.2584 8.5476 121.2627 55.5140 30.4804 174.9246 42 I 4.3179 8.1072 119.2855 59.1549 37.4416 172.5041 43 Q 4.5041 8.4160 130.6469 55.3225 30.2164 174.5083 44 D 4.8394 8.7172 126.3957 53.7604 40.7131 176.2148 45 F 4.6290 8.4778 122.1479 57.1758 41.3579 173.1402 46 E 4.1582 8.3216 127.3811 54.5403 30.4880 175.5140 47 G 3.9314 7.6095 112.0773 46.6246 0.0000 171.4913 48 I 4.8488 7.7294 120.7614 59.7068 40.1579 176.0741 49 V 4.4101 7.9596 124.6044 61.6231 31.9438 175.9459 50 I 3.8928 8.6748 126.1244 62.5732 38.2173 176.2321 51 R 4.4980 7.1075 122.6959 55.0005 32.2980 175.2697 52 I 4.5339 7.9107 115.4191 60.5500 38.7288 173.2291 53 R 4.5458 9.4432 126.9831 54.1813 30.6866 176.4184 54 R 4.4794 8.5848 122.9593 56.1287 31.1553 176.7375 55 N 4.6106 8.8076 115.4639 53.7066 41.2344 175.7269 56 G 3.9278 8.0137 115.3902 46.1084 0.0000 175.1236 57 F 4.2229 9.8566 124.3376 60.5458 37.7365 175.8068 58 N 3.8135 8.5608 123.3020 53.0553 36.8011 174.6127 59 T 4.4363 8.0590 118.7161 60.6128 70.0025 173.0362 60 T 5.7462 8.5671 118.7951 59.9409 71.9900 173.1611 61 F 5.3224 8.0811 115.7224 56.1714 41.6958 173.0672 62 T 4.7555 9.5312 109.5737 60.2527 72.4346 173.0281 63 V 5.5676 8.1856 115.6043 59.1738 35.7452 174.7495 64 R 5.1123 8.3575 122.2847 55.0426 33.4833 173.5756 65 K 4.8419 9.5212 126.4262 54.9939 36.5270 174.5772 66 V 4.4448 8.2762 124.6825 61.7894 32.4124 174.9839 67 S 4.4504 9.0116 123.5647 57.5343 64.2046 173.5727 68 Y 3.7990 10.0509 127.1811 59.2861 34.7865 170.1853 69 G 4.3527 8.0715 117.0544 45.4436 0.0000 172.6813 70 V 3.8488 7.5149 119.2486 61.7096 32.7135 175.3260 71 G 4.1970 8.6982 115.0457 46.3770 0.0000 172.7243 72 V 4.8640 9.1980 120.9307 61.2777 35.4993 173.0902 73 E 5.3640 8.7460 122.2856 54.7684 32.8118 174.5817 74 R 4.4620 9.3668 121.1840 54.5259 33.9084 173.8347 75 I 4.3396 7.8853 124.0702 59.5016 39.2763 174.9624 76 F 4.9775 8.4243 126.5641 55.1252 40.1512 174.7503 77 P 4.1104 0.0000 0.0000 63.9814 31.3122 177.3186 78 L 4.2631 9.7165 116.7499 55.4097 40.0973 172.9780 79 H 4.9481 8.0584 111.0031 55.2791 33.6914 175.2730 80 S 3.9156 8.3571 116.9862 59.0912 59.8675 168.5748 81 P 4.6594 0.0000 0.0000 63.5711 30.4017 174.0509 82 L 4.3003 9.0343 122.1041 55.3464 49.8100 177.3214 83 I 2.9293 7.2803 110.4989 62.6375 37.7051 173.7066 84 Q 3.5508 7.1159 117.3327 56.6251 26.3800 176.9862 85 K 4.4700 7.8889 130.3756 55.2148 32.9054 176.1751 86 I 3.5999 7.7295 117.1673 61.0306 38.4447 174.5577 87 D 4.7663 8.2278 125.8534 54.8484 40.2286 175.5140 88 I 3.9913 8.6272 120.2403 61.1629 38.2037 177.1242 89 V 4.3056 6.1706 134.1493 61.3003 34.9400 175.2219 90 Q 4.3921 8.2063 128.2648 56.2613 29.1765 174.4677 91 R 4.5427 8.7314 125.3573 53.0441 37.7400 177.0471 92 G 3.8240 8.8808 108.5179 43.2214 0.0000 172.9619 93 R 3.8440 8.4326 114.9594 55.8494 29.6813 175.9073 94 A 4.1128 7.6480 118.8246 52.0491 18.3404 179.6324 95 R 4.1059 8.7998 122.0449 57.9325 30.2479 176.0566 96 R 4.7209 7.7938 113.4245 54.1430 34.2978 176.0930 97 A 4.0673 8.9772 123.8123 53.0244 16.9443 180.1169 98 K 3.9732 9.0716 115.4793 56.2818 33.7221 177.1447 99 L 3.8894 6.9194 114.7934 55.8184 41.0101 174.0633 100 Y 4.2143 7.8399 121.0754 59.4237 39.0317 177.7470 101 F 4.1381 7.9032 115.6214 59.8560 37.7888 177.4015 102 I 3.9529 8.4010 120.8676 64.3908 38.1854 177.2599 103 R 3.9602 8.3186 119.1497 59.4861 29.5415 177.2709 104 N 4.1814 7.9087 114.8723 55.5142 39.2849 174.1544 105 L 4.6937 8.0656 123.4120 52.9025 43.2092 176.2947 106 S 4.9252 9.3881 117.5230 55.7028 66.8261 174.9551 107 D 4.9456 7.9184 119.8317 53.3079 39.3173 180.1880 108 R 3.7362 8.1973 113.1931 58.8467 29.4053 178.0080 109 E 3.9262 9.8612 120.8269 59.7938 29.5089 179.4064 110 I 3.6052 7.3204 119.3329 64.4171 36.8576 178.0229 111 R 4.2574 7.8111 115.0611 57.5128 29.5312 177.5553 112 R 4.2602 8.1904 116.0072 56.8193 29.9180 177.1999 113 K 4.4354 7.2707 118.6863 56.8482 34.4653 176.6997 114 L 4.6394 7.4594 120.2976 52.8811 41.3074 179.3496 115 R 4.3153 7.9401 128.5092 55.5657 29.9053 177.1380 116 A 4.5951 8.3468 128.5987 50.8866 20.7427 176.7748 117 D 4.6007 8.5285 122.8644 54.3102 39.1666 176.4067 118 R 3.9579 8.3650 124.1367 58.8686 30.1006 177.6582 119 K 4.2116 8.1263 118.6016 60.0182 31.9339 178.2313 120 R 4.3417 7.8998 116.4982 57.1123 29.9455 178.2083 121 I 3.8874 7.1994 118.8544 63.2084 38.4752 176.7951 122 D 4.4598 9.0470 117.9768 56.0870 41.0733 176.8331 123 Q 4.4766 7.7629 116.3705 57.1776 29.6386 176.8924 124 D 4.3974 7.4078 120.5325 57.2642 41.2745 178.2872 125 R 3.8940 8.6686 118.0998 58.5522 30.2642 177.8107 126 A 4.1332 7.9531 118.5179 53.2146 18.7450 177.0550 127 A 4.4826 7.8352 121.0348 51.7215 17.1826 177.7857 128 E 4.3886 7.8205 117.4508 56.7312 30.9237 177.3976 129 R 4.3514 7.7270 119.8805 56.8728 27.6399 175.8418 130 A 4.2444 7.9001 120.3080 53.1378 20.4496 177.8499 131 A 3.8293 7.0512 117.9989 51.6478 16.1467 178.0548 132 K 4.2600 8.2269 124.7677 56.2519 30.4465 177.7036 133 E 4.4188 7.6636 120.2637 54.2421 28.9183 173.9144 134 E 4.4922 7.8705 122.4701 54.9965 33.5553 174.4060 135 A 3.7343 8.4452 125.0715 52.2141 15.6643 175.9926 136 Q 4.5728 7.4560 122.2455 56.4419 34.9092 174.1793 137 K 4.4520 7.7395 115.7840 54.8057 33.2083 175.7447 *138 A 4.1104 7.7612 124.6986 52.3893 18.7921 176.8757 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 1 M 8.30 4.41 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 7.90 4.65 0.00 2.83 2.80 0.00 0.00 6.67 6.78 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 3 R 7.98 4.67 0.00 1.78 1.84 0.00 3.32 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 4 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 5 A 7.72 3.97 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.94 3.99 0.00 1.72 1.81 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.11 3.69 2.03 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 1.40 0.74 0.90 0.00 0.00 8 K 7.65 4.40 0.00 1.87 1.95 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.34 7.81 9 L 7.63 5.25 0.00 1.87 1.62 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.77 4.20 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 0.78 0.00 0.00 0.91 0.00 0.00 11 E 8.34 4.01 0.00 1.99 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 2.37 2.36 0.00 12 S 7.68 3.88 0.00 3.58 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 13 R 7.60 4.72 0.00 1.96 2.08 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 14 Y 7.89 4.74 0.00 2.76 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 15 V 7.77 3.72 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 0.72 0.00 0.00 1.03 0.00 0.00 16 R 8.50 4.40 0.00 1.76 2.07 0.00 3.36 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 17 T 8.32 4.44 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 1.22 0.00 0.00 18 D 8.12 5.36 0.00 2.84 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 19 L 7.69 4.04 0.00 1.57 1.51 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.31 0.00 1.81 1.96 0.00 3.41 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 21 E 8.33 4.96 0.00 1.93 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 2.26 2.36 0.00 22 F 8.56 4.92 0.00 3.11 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 23 R 9.39 4.48 0.00 2.03 2.03 0.00 2.97 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 24 P 0.00 4.50 0.00 2.27 2.42 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 25 G 12.00 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 26 D 9.16 4.65 0.00 2.83 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 27 T 9.93 4.82 4.20 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 0.00 0.00 0.00 1.44 0.00 0.00 28 V 7.77 4.07 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 0.94 0.00 0.00 1.02 0.00 0.00 29 R 8.61 4.59 0.00 1.80 1.71 0.00 3.38 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 30 V 7.60 4.11 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 0.78 0.00 0.00 0.96 0.00 0.00 31 S 8.58 4.21 0.00 2.72 3.26 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 32 Y 6.79 4.38 0.00 3.13 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 33 K 9.31 4.33 0.00 1.91 2.30 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.39 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.32 7.81 34 V 8.46 4.24 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 0.83 0.00 0.00 0.91 0.00 0.00 35 K 7.83 4.33 0.00 1.99 1.98 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 36 E 8.98 3.73 0.00 2.14 2.23 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 2.31 2.30 0.00 37 G 8.38 4.09 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 0.00 0.00 0.00 38 N 7.81 4.90 0.00 2.79 2.91 0.00 0.00 6.93 7.61 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 39 R 8.27 4.42 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 T 7.67 4.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 R 8.55 4.26 0.00 1.89 2.40 0.00 3.37 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 1.45 1.43 0.00 42 I 8.11 4.32 1.84 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 1.22 0.82 0.89 0.00 0.00 43 Q 8.42 4.50 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 44 D 8.72 4.84 0.00 2.72 2.67 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 45 F 8.48 4.63 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.32 4.16 0.00 1.82 1.61 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 2.18 2.25 0.00 47 G 7.61 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 0.00 0.00 0.00 48 I 7.73 4.85 1.89 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 1.31 0.83 1.00 0.00 0.00 49 V 7.96 4.41 2.32 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 0.84 0.00 0.00 0.92 0.00 0.00 50 I 8.67 3.89 1.62 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 0.97 0.38 0.32 0.00 0.00 51 R 7.11 4.50 0.00 1.71 1.79 0.00 3.10 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 52 I 7.91 4.53 1.68 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.57 0.00 0.00 53 R 9.44 4.55 0.00 1.72 1.97 0.00 3.26 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 54 R 8.58 4.48 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.80 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 55 N 8.81 4.61 0.00 2.59 2.91 0.00 0.00 7.11 7.98 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 56 G 8.01 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 0.00 0.00 0.00 57 F 9.86 4.22 0.00 2.86 2.78 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 58 N 8.56 3.81 0.00 2.54 2.07 0.00 0.00 5.63 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 59 T 8.06 4.44 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 1.43 0.00 0.00 60 T 8.57 5.75 4.19 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 1.18 0.00 0.00 61 F 8.08 5.32 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.53 4.76 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 1.05 0.00 0.00 63 V 8.19 5.57 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 1.17 0.00 0.00 1.10 0.00 0.00 64 R 8.36 5.11 0.00 1.84 1.71 0.00 3.45 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 65 K 9.52 4.84 0.00 1.69 1.45 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.35 7.81 66 V 8.28 4.44 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 0.84 0.00 0.00 0.94 0.00 0.00 67 S 9.01 4.45 0.00 3.67 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 10.05 3.80 0.00 3.08 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.07 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 70 V 7.51 3.85 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 0.93 0.00 0.00 0.96 0.00 0.00 71 G 8.70 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.20 4.86 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 1.05 0.00 0.00 0.97 0.00 0.00 73 E 8.75 5.36 0.00 2.02 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 0.00 2.17 2.26 0.00 74 R 9.37 4.46 0.00 0.97 0.66 0.00 2.21 0.00 0.00 2.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.06 0.00 75 I 7.89 4.34 1.74 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 1.26 0.50 0.81 0.00 0.00 76 F 8.42 4.98 0.00 1.51 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 0.00 0.00 0.00 77 P 0.00 4.11 0.00 2.10 2.11 0.00 3.83 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 2.06 2.08 0.00 78 L 9.72 4.26 0.00 2.39 2.32 1.08 1.12 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 79 H 8.06 4.95 0.00 3.20 3.38 0.00 6.04 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 80 S 8.36 3.92 0.00 4.20 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 81 P 0.00 4.66 0.00 2.35 2.37 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 82 L 9.03 4.30 0.00 1.65 1.50 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.28 2.93 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.35 0.87 0.00 0.00 84 Q 7.12 3.55 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.56 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 85 K 7.89 4.47 0.00 1.71 1.63 0.00 1.77 0.00 0.00 1.38 0.00 0.00 3.14 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.12 1.29 7.81 86 I 7.73 3.60 1.82 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 1.42 0.87 0.87 0.00 0.00 87 D 8.23 4.77 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 3.99 2.07 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 1.52 0.50 0.91 0.00 0.00 89 V 6.17 4.31 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 0.99 0.00 0.00 0.93 0.00 0.00 90 Q 8.21 4.39 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 91 R 8.73 4.54 0.00 1.78 1.95 0.00 3.37 0.00 0.00 3.43 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 92 G 8.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.43 3.84 0.00 2.01 1.97 0.00 3.44 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 94 A 7.65 4.11 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 95 R 8.80 4.11 0.00 1.89 2.05 0.00 3.38 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 96 R 7.79 4.72 0.00 1.89 1.91 0.00 3.06 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 97 A 8.98 4.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.07 3.97 0.00 1.78 1.88 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.47 7.81 99 L 6.92 3.89 0.00 0.27 0.97 0.63 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.84 4.21 0.00 2.97 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 0.00 101 F 7.90 4.14 0.00 3.11 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 0.00 102 I 8.40 3.95 2.10 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 1.50 0.90 1.05 0.00 0.00 103 R 8.32 3.96 0.00 2.04 2.05 0.00 3.43 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 104 N 7.91 4.18 0.00 2.75 2.85 0.00 0.00 6.79 7.78 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 0.00 105 L 8.07 4.69 0.00 1.61 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.39 4.93 0.00 3.95 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 0.00 107 D 7.92 4.95 0.00 2.96 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 0.00 108 R 8.20 3.74 0.00 2.06 2.23 0.00 2.98 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 109 E 9.86 3.93 0.00 2.20 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 2.31 2.61 0.00 110 I 7.32 3.61 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 0.93 0.00 0.00 111 R 7.81 4.26 0.00 2.06 2.18 0.00 2.76 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 112 R 8.19 4.26 0.00 1.89 2.06 0.00 3.04 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 113 K 7.27 4.44 0.00 1.70 1.68 0.00 1.53 0.00 0.00 1.32 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.60 7.81 114 L 7.46 4.64 0.00 1.66 1.65 1.03 0.89 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 0.00 115 R 7.94 4.32 0.00 1.80 1.74 0.00 3.31 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 116 A 8.35 4.60 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.53 4.60 0.00 2.95 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 0.00 118 R 8.36 3.96 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 119 K 8.13 4.21 0.00 1.82 2.03 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.58 7.81 120 R 7.90 4.34 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 121 I 7.20 3.89 2.06 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 1.41 1.41 0.98 0.00 0.00 122 D 9.05 4.46 0.00 2.71 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 0.00 123 Q 7.76 4.48 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 124 D 7.41 4.40 0.00 3.25 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 0.00 125 R 8.67 3.89 0.00 1.80 1.98 0.00 3.38 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 126 A 7.95 4.13 1.37 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 0.00 127 A 7.84 4.48 1.37 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 0.00 128 E 7.82 4.39 0.00 2.20 2.27 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 2.31 2.43 0.00 129 R 7.73 4.35 0.00 1.77 1.92 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 130 A 7.90 4.24 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 0.00 131 A 7.05 3.83 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.23 4.26 0.00 1.76 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 133 E 7.66 4.42 0.00 1.91 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 0.00 2.21 2.27 0.00 134 E 7.87 4.49 0.00 1.88 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 2.18 2.36 0.00 135 A 8.45 3.73 1.32 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 0.00 0.00 136 Q 7.46 4.57 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.31 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 137 K 7.74 4.45 0.00 1.72 1.68 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.42 7.81 *138 A 7.76 4.11 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 * Residues marked with a * may have inaccurate shift predictions.