NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4003 8.3044 118.8094 54.8270 33.4744 174.6952 2 D 4.6325 7.8258 112.1433 54.6117 39.1667 175.8818 3 F 5.0153 8.7609 120.5082 57.3086 41.1091 175.5956 4 R 4.9313 9.2680 120.0477 54.5703 34.5941 174.2011 5 I 4.9359 8.4594 115.1878 59.3459 40.7483 174.5004 6 G 4.3895 9.1322 110.4333 44.6506 0.0000 171.3142 7 Q 5.1873 8.6077 117.8982 54.2948 32.5654 174.1019 8 G 4.5014 9.2318 107.1543 45.0056 0.0000 170.7473 9 Y 5.4018 8.5271 121.7237 55.9527 42.2974 173.5958 10 D 4.6253 8.3762 124.1584 53.0873 45.3625 174.0457 11 V 4.9100 7.7673 121.0993 60.7950 34.5974 173.4520 12 H 4.9679 8.8988 118.4298 53.9775 33.5807 172.9796 13 Q 4.6090 8.7339 120.0233 56.0012 30.1512 174.9905 14 L 5.1919 8.7462 125.4560 53.6625 43.6580 175.8212 15 V 4.6855 8.5716 118.9348 58.6925 36.4781 173.5636 16 P 4.8613 0.0000 0.0000 63.4350 31.5048 176.6381 17 G 4.0509 8.9635 109.2239 45.3817 0.0000 173.8547 18 R 4.8936 7.7690 118.1851 53.3875 34.8435 173.1908 19 P 4.7225 0.0000 0.0000 62.7804 33.5206 174.9888 20 L 4.5567 8.4549 123.0834 53.8196 43.1191 175.2506 21 I 4.9494 8.2174 127.8001 59.4863 39.4536 175.0183 22 I 4.7877 8.1627 126.1928 60.3897 39.8743 176.0294 23 G 3.5770 9.8432 113.6553 46.7342 0.0000 175.0201 24 G 3.8899 9.1815 106.4661 45.1573 0.0000 174.2456 25 V 4.2078 7.3774 120.4335 61.0538 32.9094 174.5390 26 T 4.7340 8.4328 124.3076 63.2439 69.1014 173.9492 27 I 4.4880 8.5867 128.5222 58.3850 39.3020 173.9686 28 P 4.4684 0.0000 0.0000 63.1874 31.4268 175.1264 29 Y 4.7883 8.3541 124.6456 57.3995 41.0833 175.1138 30 E 3.7696 7.3283 119.2903 57.4065 30.1565 177.3964 31 R 4.8765 6.9032 114.6955 55.4572 34.5500 174.3548 32 G 4.8421 8.9885 106.8585 44.7405 0.0000 171.3922 33 L 5.0201 7.9550 118.9466 53.7988 42.7653 178.2897 34 L 4.4451 8.4273 125.1395 53.3458 39.7675 176.4668 *38 D 4.3806 8.2945 118.7572 51.3856 41.4765 176.0587 39 A 3.5064 7.9217 121.0976 53.3145 16.1666 178.6438 40 D 4.7208 8.0135 122.0011 53.8115 40.1799 175.2934 41 V 4.1521 7.8876 127.7770 63.7905 31.3800 178.0459 42 L 3.8863 7.7828 120.2336 57.9674 42.0400 178.7826 43 L 4.0224 8.0510 118.8517 57.9103 41.4284 179.1860 44 H 4.2729 8.3664 116.1290 58.9141 28.6822 177.6389 45 A 4.0276 7.9742 122.4232 55.2562 18.1397 179.7980 46 I 3.6638 7.7929 118.3029 64.6707 37.1213 178.6102 47 T 3.7154 8.1314 116.8138 66.8930 68.2987 176.2019 48 D 4.5193 8.4012 120.3937 57.4876 40.8547 178.8029 49 A 4.2349 8.1047 122.5157 54.5009 18.3916 179.7812 50 L 3.8203 8.0670 117.5481 58.0602 41.6649 179.5983 51 F 4.5092 8.0977 117.9206 60.6420 38.7806 178.0879 52 G 3.5705 8.4881 105.2120 47.7873 0.0000 175.6759 53 A 4.1672 8.1879 123.4112 53.8849 18.4688 178.7371 54 A 3.0258 7.5485 115.7704 51.0226 19.3939 176.8104 55 A 3.6848 7.4783 119.2343 53.3955 16.6419 177.7845 56 L 4.6246 8.4884 117.0463 55.4650 43.2115 177.6859 57 G 3.9830 9.1864 108.5961 45.0057 0.0000 175.6458 58 D 4.7980 8.0199 126.4078 50.7279 43.3267 175.0322 59 I 3.9056 9.1710 119.2810 64.4347 37.5757 177.9794 60 G 3.5788 8.0478 105.1074 47.7104 0.0000 175.4904 61 R 3.9832 7.9694 119.6250 59.0700 30.1121 178.3717 62 H 4.1487 7.3954 114.7685 56.6612 29.5682 175.5870 63 F 4.9636 7.6754 120.1815 55.2177 39.2722 173.5272 64 S 4.2899 8.4660 121.3278 58.2628 62.9347 174.8251 65 D 4.5777 8.8934 128.2940 55.9822 39.8144 174.3368 66 T 4.4062 7.4705 109.6660 61.5426 68.9768 180.3371 *73 A 4.0636 7.9063 125.1054 52.5686 20.0071 177.9471 74 D 4.7210 8.2083 122.8999 52.4791 42.4246 177.7398 75 S 4.2133 8.9267 115.2550 61.3399 62.5184 177.3447 76 R 3.8823 8.0571 120.6987 58.9316 29.9158 178.4691 77 A 3.9184 8.0359 120.1807 55.1381 18.2869 179.6376 78 L 3.2590 7.5788 117.0621 57.5825 41.6201 179.4682 79 L 3.9040 7.9775 120.2374 58.3066 42.0238 179.2632 80 R 3.9053 8.1418 118.0999 59.2418 29.9969 178.7346 81 E 4.0181 8.2749 119.1791 59.1515 29.5792 178.0730 82 C 3.9799 8.6199 119.0723 62.7336 31.4932 175.5972 83 A 3.9160 8.0624 122.0304 55.1610 17.9311 179.4975 84 S 4.0722 8.1782 111.6618 61.6714 62.4747 176.7229 85 R 4.0519 8.2825 120.8128 59.1313 29.8354 179.0892 86 V 3.7138 8.1520 118.0863 66.0316 31.5157 177.9291 87 A 4.4492 8.1500 121.8147 54.9697 18.0336 179.7141 88 Q 4.0295 8.0990 115.1463 58.6853 28.8805 178.1244 89 A 4.3089 7.9963 120.2745 52.6789 18.6623 177.9662 90 G 3.8506 7.8149 106.2369 44.7460 0.0000 172.8562 91 F 5.1909 8.4119 118.6167 55.4677 41.6637 174.4464 92 A 4.8268 9.0211 125.2169 50.4112 21.1814 176.1345 93 I 4.1790 8.3822 122.9115 61.4835 37.5520 175.8729 94 R 4.5979 9.0194 126.2896 57.8677 31.6779 176.1930 95 N 4.9625 7.6144 113.1090 52.1222 40.5864 173.5874 96 V 4.9839 8.7673 119.5720 61.2909 35.0943 173.7716 97 D 5.4327 9.2066 125.9795 51.7935 45.2741 174.0259 98 S 5.0824 8.1545 115.2876 58.0148 66.5152 173.2494 99 T 5.0770 8.9531 116.9034 62.0259 72.6345 172.9838 100 I 4.7435 8.9423 127.0809 59.7667 39.7797 174.6222 101 I 4.8942 8.8091 128.0751 59.6533 39.0719 174.7019 102 A 4.8224 8.8090 129.0387 50.4316 22.0506 176.9206 103 Q 3.8498 8.9901 123.6429 58.7803 29.6097 175.8500 104 A 4.4433 7.2702 117.3920 50.2765 21.8696 174.0481 105 P 4.4183 0.0000 0.0000 61.7038 33.4471 176.1559 106 K 4.0916 8.3904 119.9879 55.0492 31.9684 172.6770 107 L 4.5076 8.4251 123.0220 54.4658 43.0261 178.3775 108 A 3.9840 8.2337 120.9459 55.0580 17.8904 177.6581 109 P 4.2620 0.0000 0.0000 64.7963 31.7018 177.3337 110 H 4.7958 8.0183 113.7978 55.5782 29.1973 176.6327 111 I 3.6925 7.4450 123.1688 64.6372 36.9195 177.9374 112 D 4.3214 8.1040 118.9260 57.1932 40.6402 178.5909 113 A 3.9810 7.9212 120.9219 55.3417 18.4010 179.4475 114 M 4.2587 7.9685 118.5327 58.1264 32.0116 179.1759 115 R 3.8799 8.2907 118.2337 59.1821 30.2547 178.9343 116 A 3.9983 8.2632 120.7354 55.2526 18.3989 179.4825 117 N 4.2851 8.1678 114.9120 56.4851 38.6577 177.8168 118 I 3.6777 7.9961 121.0835 64.3297 37.1474 178.3218 119 A 3.9838 8.4030 121.8201 54.9962 18.2936 179.4279 120 A 3.9224 8.0388 119.1678 55.6787 18.3000 179.7425 121 D 4.3600 8.0057 115.7495 56.7910 40.9530 178.0182 122 L 4.3359 7.8564 116.7247 53.3462 42.7956 175.6547 123 D 4.3538 7.6069 117.4711 55.5715 40.1200 172.9290 124 L 4.8495 7.8553 116.7374 51.8818 45.0269 175.5977 125 P 4.3706 0.0000 0.0000 62.4040 32.2535 177.3166 126 L 3.9397 8.6920 123.6626 58.3714 42.0278 178.2050 127 D 4.6161 8.0717 114.3336 54.2401 39.4523 176.3016 128 R 4.6022 8.2396 118.2008 56.0542 31.6895 175.1970 129 V 4.7819 7.8053 119.4808 61.0477 33.5439 174.3607 130 N 5.1216 9.2334 125.8552 51.7710 42.5817 172.9584 131 V 4.9468 8.2928 123.7461 59.9636 34.5281 174.5194 132 K 4.8467 9.0473 126.1244 54.5037 35.7559 174.8092 133 A 5.2380 8.4524 122.9625 50.2923 21.8655 175.6831 134 K 4.7471 9.0944 120.2218 54.9657 37.0648 176.2973 135 T 4.8895 8.3727 113.1368 59.7262 71.3303 173.6605 136 N 4.7576 8.6079 116.3899 52.8399 39.0601 174.0773 137 E 3.9065 8.7042 113.3342 57.0487 27.6118 175.4773 138 K 4.1321 8.2467 112.3894 56.6624 30.7273 175.7139 139 L 4.3975 7.9179 119.8179 54.0924 43.1966 178.2676 140 G 4.0369 8.5252 112.4044 44.8727 0.0000 173.3164 141 Y 4.3621 8.1357 115.8829 60.1899 37.5952 178.4623 142 L 4.2397 7.1228 120.3676 57.6994 41.5120 179.5758 143 G 3.6694 8.1649 105.3839 47.1130 0.0000 174.8665 144 R 4.5911 7.8606 117.9647 55.3379 30.3884 176.6532 145 G 3.9475 7.7984 106.7518 46.7585 0.0000 174.5330 146 E 4.4570 8.5233 119.5446 56.6561 30.8202 175.8666 147 G 4.4563 7.6319 104.7409 45.7740 0.0000 172.6833 148 I 4.9676 8.5394 119.9348 59.3545 41.1163 174.6477 149 E 5.0838 8.9895 126.6247 54.4132 32.6365 174.3597 150 A 5.2873 8.8462 125.8559 50.2721 22.8972 175.0150 151 Q 5.1864 9.1802 118.7269 54.1887 32.9006 174.5686 152 A 5.2482 9.0996 122.7594 50.3574 23.3524 174.8329 153 A 5.2035 9.2986 121.1032 50.1371 22.8004 175.1870 154 A 5.0870 9.1133 122.3293 50.0296 23.1916 174.6301 155 L 5.1376 8.7794 123.0954 53.4209 44.9124 175.8038 156 V 5.2282 8.9509 118.5431 59.6072 36.6417 174.6904 157 V 4.7854 8.8085 120.4830 59.9978 34.6936 175.4993 158 R 4.1935 8.7641 124.0429 55.9427 29.4954 175.9451 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 4.40 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.83 4.63 0.00 2.81 2.49 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 3 F 8.76 5.02 0.00 3.04 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 4 R 9.27 4.93 0.00 1.64 1.74 0.00 3.32 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 5 I 8.46 4.94 1.88 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 1.29 0.93 0.93 0.00 0.00 6 G 9.13 4.39 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 0.00 7 Q 8.61 5.19 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.23 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 0.00 0.00 0.00 0.00 9 Y 8.53 5.40 0.00 2.94 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 10 D 8.38 4.63 0.00 2.75 2.47 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 11 V 7.77 4.91 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 0.77 0.00 0.00 1.07 0.00 0.00 12 H 8.90 4.97 0.00 3.06 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.73 4.61 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 14 L 8.75 5.19 0.00 1.64 1.65 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.57 4.69 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 0.73 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.86 0.00 1.91 1.94 0.00 3.70 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 17 G 8.96 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 0.00 0.00 0.00 18 R 7.77 4.89 0.00 1.70 1.78 0.00 3.29 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 19 P 0.00 4.72 0.00 2.11 2.17 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.45 4.56 0.00 2.07 1.85 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 21 I 8.22 4.95 1.83 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 1.39 0.95 0.87 0.00 0.00 22 I 8.16 4.79 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.87 0.00 0.00 23 G 9.84 3.58 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 0.00 0.00 0.00 24 G 9.18 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 25 V 7.38 4.21 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.43 4.73 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 27 I 8.59 4.49 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.56 0.80 0.00 0.00 28 P 0.00 4.47 0.00 2.12 2.09 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 Y 8.35 4.79 0.00 2.93 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 30 E 7.33 3.77 0.00 1.94 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 2.31 1.90 0.00 31 R 6.90 4.88 0.00 1.76 1.91 0.00 3.24 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.00 32 G 8.99 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.96 5.02 0.00 1.56 1.57 0.89 1.01 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 34 L 8.43 4.45 0.00 1.57 1.65 0.93 0.83 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 *38 D 8.29 4.38 0.00 2.75 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 39 A 7.92 3.51 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 40 D 8.01 4.72 0.00 2.78 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 41 V 7.89 4.15 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 1.06 0.00 0.00 1.02 0.00 0.00 42 L 7.78 3.89 0.00 1.74 1.79 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.05 4.02 0.00 1.72 1.69 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.37 4.27 0.00 3.47 3.38 0.00 5.64 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 45 A 7.97 4.03 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 46 I 7.79 3.66 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 1.51 0.66 0.88 0.00 0.00 47 T 8.13 3.72 4.51 0.00 0.00 0.00 0.00 0.00 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 48 D 8.40 4.52 0.00 2.95 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 49 A 8.10 4.23 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 50 L 8.07 3.82 0.00 1.57 1.51 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.10 4.51 0.00 3.05 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 52 G 8.49 3.57 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 0.00 53 A 8.19 4.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.55 3.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.48 3.68 1.35 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 56 L 8.49 4.62 0.00 1.79 1.75 1.12 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.19 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 0.00 0.00 0.00 58 D 8.02 4.80 0.00 3.11 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 59 I 9.17 3.91 2.18 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 1.70 2.12 0.99 0.00 0.00 60 G 8.05 3.58 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 0.00 0.00 0.00 61 R 7.97 3.98 0.00 1.73 1.75 0.00 3.09 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 62 H 7.40 4.15 0.00 1.90 1.96 0.00 5.59 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 63 F 7.68 4.96 0.00 3.05 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 64 S 8.47 4.29 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 65 D 8.89 4.58 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.47 4.41 4.24 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 1.21 0.00 0.00 *73 A 7.91 4.06 1.20 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 74 D 8.21 4.72 0.00 3.19 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 75 S 8.93 4.21 0.00 3.86 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 76 R 8.06 3.88 0.00 1.99 2.01 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 77 A 8.04 3.92 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 78 L 7.58 3.26 0.00 1.76 1.31 0.84 -0.41 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 79 L 7.98 3.90 0.00 1.83 1.80 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.14 3.91 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 81 E 8.27 4.02 0.00 2.12 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 2.62 2.82 0.00 82 C 8.62 3.98 0.00 2.95 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 83 A 8.06 3.92 1.35 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 84 S 8.18 4.07 0.00 3.96 4.12 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 85 R 8.28 4.05 0.00 2.28 2.14 0.00 3.45 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 86 V 8.15 3.71 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 1.07 0.00 0.00 0.91 0.00 0.00 87 A 8.15 4.45 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.10 4.03 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 89 A 8.00 4.31 1.63 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 0.00 0.00 90 G 7.81 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 91 F 8.41 5.19 0.00 3.14 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 92 A 9.02 4.83 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 93 I 8.38 4.18 1.89 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 1.35 0.61 0.92 0.00 0.00 94 R 9.02 4.60 0.00 1.90 2.06 0.00 3.49 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 95 N 7.61 4.96 0.00 2.85 2.87 0.00 0.00 5.62 7.68 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 96 V 8.77 4.98 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 1.00 0.00 0.00 0.92 0.00 0.00 97 D 9.21 5.43 0.00 2.78 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 98 S 8.15 5.08 0.00 3.98 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 99 T 8.95 5.08 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 1.21 0.00 0.00 100 I 8.94 4.74 1.85 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 1.20 0.77 0.93 0.00 0.00 101 I 8.81 4.89 1.87 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 1.16 0.73 0.92 0.00 0.00 102 A 8.81 4.82 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 0.00 103 Q 8.99 3.85 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 104 A 7.27 4.44 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 0.00 105 P 0.00 4.42 0.00 2.09 1.83 0.00 3.34 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 106 K 8.39 4.09 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.43 4.51 0.00 1.67 1.71 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.23 3.98 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 0.00 109 P 0.00 4.26 0.00 1.68 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 110 H 8.02 4.80 0.00 3.24 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.44 3.69 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 1.80 0.96 0.94 0.00 0.00 112 D 8.10 4.32 0.00 2.67 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 0.00 113 A 7.92 3.98 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 0.00 114 M 7.97 4.26 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 115 R 8.29 3.88 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 116 A 8.26 4.00 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 0.00 117 N 8.17 4.29 0.00 2.98 2.86 0.00 0.00 7.07 7.57 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 0.00 118 I 8.00 3.68 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 1.44 1.01 0.90 0.00 0.00 119 A 8.40 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.04 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.01 4.36 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.34 0.00 1.61 1.69 0.90 0.81 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 0.00 123 D 7.61 4.35 0.00 2.76 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 0.00 124 L 7.86 4.85 0.00 1.62 1.53 0.92 1.18 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 0.00 125 P 0.00 4.37 0.00 2.35 1.97 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 126 L 8.69 3.94 0.00 1.71 1.68 0.92 1.16 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 0.00 127 D 8.07 4.62 0.00 2.82 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 0.00 128 R 8.24 4.60 0.00 1.90 2.08 0.00 3.08 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.81 4.78 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.23 5.12 0.00 2.83 2.77 0.00 0.00 6.16 7.27 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 0.00 131 V 8.29 4.95 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 1.24 0.00 0.00 0.92 0.00 0.00 132 K 9.05 4.85 0.00 1.77 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.45 5.24 1.16 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 0.00 134 K 9.09 4.75 0.00 1.60 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.37 4.89 4.38 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 1.23 0.00 0.00 136 N 8.61 4.76 0.00 2.74 2.71 0.00 0.00 6.99 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 0.00 137 E 8.70 3.91 0.00 2.12 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 2.24 2.39 0.00 138 K 8.25 4.13 0.00 1.92 1.92 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 139 L 7.92 4.40 0.00 1.79 1.52 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.53 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 0.00 141 Y 8.14 4.36 0.00 3.26 3.28 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 0.00 142 L 7.12 4.24 0.00 1.51 1.68 0.88 1.09 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 0.00 143 G 8.16 3.67 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 0.00 144 R 7.86 4.59 0.00 1.87 2.01 0.00 3.28 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 145 G 7.80 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 0.00 146 E 8.52 4.46 0.00 2.23 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 2.33 2.49 0.00 147 G 7.63 4.46 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 0.00 148 I 8.54 4.97 1.88 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 1.10 1.24 0.93 0.00 0.00 149 E 8.99 5.08 0.00 2.11 1.79 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 2.21 2.22 0.00 150 A 8.85 5.29 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.18 5.19 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 152 A 9.10 5.25 1.20 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 0.00 153 A 9.30 5.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 9.11 5.09 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 0.00 155 L 8.78 5.14 0.00 1.78 1.69 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.95 5.23 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 0.66 0.00 0.00 0.75 0.00 0.00 157 V 8.81 4.79 1.59 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 0.80 0.00 0.00 0.23 0.00 0.00 158 R 8.76 4.19 0.00 1.61 1.79 0.00 2.21 0.00 0.00 2.71 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.00 * Residues marked with a * may have inaccurate shift predictions.