NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4225 8.3231 115.5494 58.1484 64.4721 172.9262 3 G 3.9570 8.9269 109.0345 44.7581 0.0000 171.4883 4 K 4.7860 9.1730 119.9829 54.2681 35.5222 173.6044 5 L 4.7027 9.0906 126.7051 53.7919 43.9041 175.0035 6 T 4.8305 7.7981 122.9894 61.5708 71.4924 173.2767 7 V 4.7236 8.6342 125.9667 61.0954 34.7914 173.9736 8 I 5.0459 8.8994 128.9905 60.0926 39.3702 174.9425 9 T 5.3925 9.1276 122.6491 60.6813 73.2790 173.4155 10 G 4.3449 8.2621 109.4251 45.3482 0.0000 169.9378 11 P 4.5642 0.0000 0.0000 61.7042 31.8638 175.7699 12 M 3.7544 8.1011 117.8657 56.6841 32.0338 176.3411 13 Y 3.9796 7.8361 115.9740 59.4296 35.5919 170.8880 14 S 4.8630 7.0802 111.4292 57.1571 63.5122 174.0851 15 G 3.9336 8.1870 107.9310 47.6268 0.0000 176.8455 16 K 4.0427 8.2198 120.9846 59.4040 32.3200 178.9043 17 T 3.9165 7.9123 115.7817 66.9416 68.4421 176.6273 18 T 3.9082 7.8928 111.1863 64.7138 68.3515 175.9703 19 E 3.8704 8.1823 121.8367 58.9557 29.6567 178.5119 20 L 4.3701 8.1209 120.4577 58.3509 42.0881 179.0108 21 L 3.9601 7.9640 118.7183 57.3588 41.0716 179.2798 22 S 3.9447 8.1334 114.4750 61.4144 62.4284 176.6191 23 F 4.1263 7.5716 119.8123 59.7525 38.7804 178.0163 24 V 2.3892 7.3516 117.9332 65.7282 31.1880 177.8108 25 E 3.8558 8.2258 119.2812 59.0455 29.2850 178.7655 26 I 3.8410 7.4070 113.1208 64.1089 37.6073 177.9439 27 Y 4.0151 8.2585 121.2373 61.0990 37.6694 178.8906 28 K 3.9966 8.3886 124.9283 59.9697 31.6948 181.3353 29 L 4.1007 8.1077 119.7070 57.7035 41.6604 178.7142 30 G 3.8109 7.8235 104.6541 44.8563 0.0000 173.3551 31 K 3.8485 7.8045 117.5583 57.4244 30.1175 175.2182 32 K 4.7292 8.0398 116.2639 54.5776 34.8677 176.6989 33 K 4.4207 8.6029 124.5974 55.9507 33.4077 175.9251 34 V 5.2880 8.5723 119.5483 59.5969 35.2649 174.7090 35 A 4.6930 8.9673 123.3420 50.1712 22.4267 175.2151 36 V 4.8375 7.8420 121.1422 61.0686 34.7311 174.3186 37 F 5.6044 9.6944 125.4770 55.7721 43.5259 173.8374 38 K 5.2531 9.2319 119.4191 54.8419 36.3134 173.7606 39 P 4.6814 0.0000 0.0000 62.2325 32.7480 176.4629 40 K 4.2055 8.1654 123.2405 55.6489 30.3440 176.4708 41 I 3.4510 8.0641 127.3934 63.4115 37.6039 176.9470 *57 G 3.7158 7.6831 108.3633 45.2010 0.0000 171.7154 58 V 4.0961 7.6525 122.5748 62.5329 33.6154 177.5100 59 E 3.9226 7.8980 119.2623 55.7395 29.9677 175.8624 60 A 4.3760 8.1308 125.1988 50.6159 19.8084 176.5850 61 H 4.1223 8.1420 120.6439 56.6152 29.7414 175.3311 62 V 4.6813 8.4140 124.9327 61.9251 32.2442 175.0515 63 I 4.8275 8.9621 123.7686 60.0425 40.7015 177.2799 64 E 4.0588 9.3618 120.2944 58.4704 30.2176 177.7502 65 R 4.9531 8.5612 119.2758 53.2105 32.5634 175.4135 66 P 3.7233 0.0000 0.0000 65.4643 31.3557 178.1813 67 E 4.0613 8.0128 116.4246 58.2125 29.7967 178.1678 68 E 4.1091 8.2721 118.7642 58.4366 29.3349 178.7851 69 M 3.8259 7.5436 119.4739 58.2498 31.4566 178.3759 70 R 3.9658 7.5859 120.9885 60.0741 30.0524 179.0824 71 K 4.1464 7.4431 120.2028 57.9251 31.8673 179.7206 72 Y 4.8753 8.1005 113.9705 58.4078 39.3521 175.2823 73 I 4.4539 7.5875 121.3763 59.7256 38.6722 175.3256 74 E 4.6087 8.4917 125.0625 54.3103 31.3141 176.7594 75 E 4.0253 8.6543 120.6265 58.8116 29.7285 177.2556 76 D 4.5413 7.9333 116.6607 56.3615 41.8145 176.6732 77 T 4.2002 7.7994 116.4813 64.0936 68.8955 173.9177 78 R 4.6896 9.5917 124.6322 56.2228 33.0829 176.0551 79 G 4.2292 8.0694 105.4871 44.3705 0.0000 171.7228 80 V 5.1496 8.3964 123.0048 60.8021 35.0594 174.1843 81 F 5.2735 9.5302 125.9052 55.7922 42.5682 173.9459 82 I 5.1601 9.0677 124.3876 59.7471 40.2388 174.5851 83 D 4.9855 9.0945 127.0711 52.4780 43.4373 175.2440 84 E 3.7653 8.5218 118.2138 57.4733 27.2080 177.3731 85 V 3.9798 7.8252 112.5947 63.9589 32.2192 179.2262 86 Q 3.6926 7.5862 117.1436 58.8127 28.0111 177.4501 87 F 4.7277 7.2263 114.7435 58.1508 39.3129 175.6995 88 F 4.6960 7.7879 120.0497 56.0973 39.9830 175.1131 89 N 4.4357 8.9415 121.4373 53.7553 39.3602 173.9796 90 P 4.5737 0.0000 0.0000 64.1356 31.3825 178.4741 91 S 4.3339 8.7617 114.4229 60.3991 62.8599 175.7611 92 L 3.8509 7.9794 124.7548 58.0569 41.6171 178.5991 93 F 4.0161 8.1921 120.6371 61.3956 39.3668 177.0187 94 E 3.9144 8.2583 117.7061 59.0627 29.3304 179.3635 95 V 3.4753 7.5550 118.1779 65.8013 31.6119 178.2045 96 V 3.3848 8.0362 118.3823 65.7612 31.3032 177.7219 97 K 3.6387 7.5458 119.1974 59.6097 32.0829 178.1843 98 D 4.3012 7.9915 118.9388 57.5283 40.7878 178.8609 99 L 3.9542 7.7433 119.1862 57.8741 41.5477 179.6782 100 L 4.0644 7.8302 118.7664 57.9391 41.3447 179.3176 101 D 4.4008 8.0614 117.5007 56.5396 40.7430 177.8803 102 R 4.4322 7.5621 116.7138 55.6630 30.2057 177.0940 103 G 3.8720 7.8771 106.2406 45.5344 0.0000 173.0677 104 I 4.4037 7.4601 121.2350 59.4322 38.9430 175.0679 105 D 4.6373 8.7137 127.4266 54.2891 42.0966 175.5509 106 V 4.6459 8.1620 122.4886 60.9814 34.8621 174.1703 107 F 5.0073 8.9041 125.2324 55.8163 42.7932 173.6072 108 C 5.4183 9.2060 120.4493 57.8638 31.8710 172.8718 109 A 5.2634 8.6921 125.0136 50.3373 21.9494 175.3158 110 G 4.0270 8.1249 106.1529 45.4150 0.0000 172.5486 111 L 4.7007 8.7893 120.9893 54.1927 41.7060 177.7131 112 D 4.6568 8.9123 122.9153 55.3731 40.9224 176.3854 113 L 5.1146 7.7831 116.7918 52.3767 45.3187 176.2831 114 T 4.0131 8.2636 112.6291 60.9981 69.4262 175.3079 115 H 4.4595 8.7632 117.0686 57.3074 28.3450 175.9962 116 K 4.4070 7.7684 118.3226 55.7236 32.0449 176.1817 117 Q 3.4564 8.5609 117.4472 56.9195 26.8436 173.2293 118 N 4.7346 7.5550 114.1385 51.0972 40.1065 173.1410 119 P 4.5733 0.0000 0.0000 62.5295 32.0863 176.4686 120 F 4.3906 8.9231 122.1730 56.9116 38.8269 175.8035 121 E 3.9428 9.2078 127.4322 59.8635 29.3517 178.8927 122 T 3.9224 7.9522 114.9430 66.9702 68.6360 176.7075 123 T 3.8706 7.9559 116.9625 66.3774 68.3816 176.1216 124 A 4.0098 8.3487 123.0840 55.4810 18.2850 179.6469 125 L 3.8778 8.1748 117.3694 58.0566 41.6671 179.9216 126 L 4.1367 8.1802 118.8493 57.7104 41.2777 179.5280 127 L 4.0514 7.9301 118.6809 57.7167 41.6038 179.3848 128 S 4.2877 7.7591 113.4961 60.9970 63.0892 175.8690 129 L 4.1410 7.6315 123.2338 56.3573 42.2959 177.1162 130 A 4.0232 7.2360 121.2992 52.5989 18.8694 177.0794 131 D 4.5826 8.6793 122.1568 56.8302 41.7718 177.3821 132 T 4.6974 7.6688 113.5582 61.5386 72.9266 173.2637 133 V 4.7296 8.4520 124.5242 61.1739 34.3902 174.4136 134 I 4.4559 9.0284 129.3233 59.6479 39.2344 174.7663 135 K 4.8876 8.7014 127.4512 55.2671 32.5773 176.4436 136 K 4.7138 9.5309 125.9520 54.7879 34.7537 175.7605 137 K 4.7996 8.6286 121.3101 54.7014 35.9995 174.9988 138 A 4.9242 8.4312 123.9674 49.9432 22.6536 175.6270 139 V 4.3797 8.3595 119.1015 62.6688 32.4823 175.3827 140 C 4.3951 9.3470 129.4818 59.8821 31.7930 173.9842 141 H 4.1358 9.4681 127.3805 59.1057 29.8492 176.3563 142 R 4.1265 8.0858 118.4306 58.6145 30.4125 176.4344 143 C 4.2170 8.2420 116.4171 59.9667 32.1096 174.5242 144 G 3.9825 8.3756 105.6428 45.2645 0.0000 172.9666 145 E 4.3893 7.6575 119.0384 55.4024 31.5056 175.4949 146 Y 4.8945 8.4235 124.5826 56.1268 36.5085 175.2324 147 N 4.8174 7.7835 112.7796 53.1210 40.3890 175.0665 148 A 4.5538 8.3243 123.3039 52.6136 19.2372 178.6540 149 T 4.6461 8.7106 109.6999 60.7985 70.5655 173.6149 150 L 4.9202 8.1579 121.9405 53.3130 45.9366 175.3903 151 T 5.2015 8.4387 117.0636 61.9083 71.7278 173.1209 152 L 5.0795 9.0606 126.6987 53.9631 45.5394 175.1729 153 K 3.9547 9.2390 128.4296 56.5858 30.1702 178.9258 *168 K 4.0528 8.6928 112.4748 56.1878 32.8324 173.3900 169 Y 5.0503 8.4909 121.9820 56.3280 40.8982 174.8363 170 I 4.9160 8.4288 121.3026 59.4741 42.1020 173.5471 171 A 5.2871 8.9644 130.1393 51.1102 21.0124 176.3777 172 V 4.9457 8.9816 114.7246 59.6841 36.8636 175.0836 173 C 4.7451 8.6297 117.5349 57.3740 30.9419 174.7124 174 R 3.8885 8.4932 119.4450 59.5787 29.6356 178.0943 175 D 4.4177 8.0754 118.2960 57.6871 40.9310 178.4424 176 C 4.2185 8.0843 116.7352 62.7599 28.1598 174.9348 177 Y 4.0139 8.3613 121.4830 61.1428 38.0162 178.1216 178 N 4.5616 7.8799 115.7628 55.8696 38.8703 177.2958 179 T 4.0944 7.6874 116.4015 66.0806 68.6655 176.2542 180 L 4.3511 7.9102 121.9145 56.8751 42.0345 177.6123 *181 K 4.1027 7.5415 124.7346 55.0824 33.1662 179.7283 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 S 8.32 4.42 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.17 4.79 0.00 1.52 1.52 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.45 7.81 5 L 9.09 4.70 0.00 1.52 1.36 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.80 4.83 3.45 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 0.00 0.00 0.00 0.98 0.00 0.00 7 V 8.63 4.72 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 0.88 0.00 0.00 0.90 0.00 0.00 8 I 8.90 5.05 1.97 0.00 0.00 1.13 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 1.16 1.01 0.00 0.00 9 T 9.13 5.39 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 1.24 0.00 0.00 10 G 8.26 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.20 2.13 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 12 M 8.10 3.75 0.00 0.79 1.49 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 13 Y 7.84 3.98 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.08 4.86 0.00 4.22 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 15 G 8.19 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 16 K 8.22 4.04 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.54 7.81 17 T 7.91 3.92 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 1.25 0.00 0.00 18 T 7.89 3.91 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 1.22 0.00 0.00 19 E 8.18 3.87 0.00 2.28 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 2.53 2.58 0.00 20 L 8.12 4.37 0.00 2.08 1.93 1.20 0.85 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 21 L 7.96 3.96 0.00 1.84 1.61 0.89 0.52 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 22 S 8.13 3.94 0.00 3.83 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 23 F 7.57 4.13 0.00 3.23 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 24 V 7.35 2.39 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 0.61 0.00 0.00 0.18 0.00 0.00 25 E 8.23 3.86 0.00 2.16 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 2.25 2.31 0.00 26 I 7.41 3.84 1.90 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 1.94 1.17 1.00 0.00 0.00 27 Y 8.26 4.02 0.00 3.16 3.19 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 28 K 8.39 4.00 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 29 L 8.11 4.10 0.00 1.58 1.77 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.82 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 31 K 7.80 3.85 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 32 K 8.04 4.73 0.00 1.91 1.89 0.00 1.53 0.00 0.00 1.23 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 33 K 8.60 4.42 0.00 1.89 1.75 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.53 7.81 34 V 8.57 5.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.87 0.00 0.00 35 A 8.97 4.69 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 36 V 7.84 4.84 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 0.97 0.00 0.00 0.78 0.00 0.00 37 F 9.69 5.60 0.00 2.98 2.97 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 38 K 9.23 5.25 0.00 1.82 1.92 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 39 P 0.00 4.68 0.00 1.68 0.65 0.00 3.76 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 1.93 2.00 0.00 40 K 8.17 4.21 0.00 1.85 1.77 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.41 7.81 41 I 8.06 3.45 1.74 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 0.86 0.12 0.66 0.00 0.00 *57 G 7.68 3.72 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 0.00 0.00 0.00 58 V 7.65 4.10 2.03 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 0.75 0.00 0.00 0.88 0.00 0.00 59 E 7.90 3.92 0.00 1.79 1.71 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 2.27 2.26 0.00 60 A 8.13 4.38 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 61 H 8.14 4.12 0.00 2.74 2.72 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.41 4.68 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 0.86 0.00 0.00 0.99 0.00 0.00 63 I 8.96 4.83 2.05 0.00 0.00 0.70 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 1.02 1.12 0.00 0.00 64 E 9.36 4.06 0.00 2.01 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 2.23 1.90 0.00 65 R 8.56 4.95 0.00 1.94 2.03 0.00 3.31 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 66 P 0.00 3.72 0.00 2.03 1.77 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 67 E 8.01 4.06 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 68 E 8.27 4.11 0.00 2.23 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 0.00 2.39 2.47 0.00 69 M 7.54 3.83 0.00 1.42 1.77 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.32 0.00 70 R 7.59 3.97 0.00 1.90 1.98 0.00 3.07 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 71 K 7.44 4.15 0.00 1.99 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 72 Y 8.10 4.88 0.00 3.28 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 73 I 7.59 4.45 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.96 0.00 0.00 74 E 8.49 4.61 0.00 2.09 1.89 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 2.28 2.28 0.00 75 E 8.65 4.03 0.00 1.93 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 2.32 0.00 76 D 7.93 4.54 0.00 2.71 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 77 T 7.80 4.20 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 1.31 0.00 0.00 78 R 9.59 4.69 0.00 1.85 2.13 0.00 3.13 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 79 G 8.07 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 0.00 0.00 0.00 0.00 80 V 8.40 5.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.01 0.00 0.00 81 F 9.53 5.27 0.00 2.92 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 82 I 9.07 5.16 1.95 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 1.27 0.93 1.08 0.00 0.00 83 D 9.09 4.99 0.00 2.76 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 84 E 8.52 3.77 0.00 2.18 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 2.26 2.32 0.00 85 V 7.83 3.98 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 0.90 0.00 0.00 0.93 0.00 0.00 86 Q 7.59 3.69 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.03 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 87 F 7.23 4.73 0.00 2.85 2.82 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 88 F 7.79 4.70 0.00 3.25 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 89 N 8.94 4.44 0.00 2.83 2.80 0.00 0.00 7.03 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 90 P 0.00 4.57 0.00 2.22 2.10 0.00 3.70 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 2.14 2.19 0.00 91 S 8.76 4.33 0.00 4.10 4.22 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 92 L 7.98 3.85 0.00 1.81 1.74 0.56 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.19 4.02 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.91 0.00 2.03 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 2.58 2.38 0.00 95 V 7.55 3.48 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 0.82 0.00 0.00 0.84 0.00 0.00 96 V 8.04 3.38 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 0.74 0.00 0.00 0.82 0.00 0.00 97 K 7.55 3.64 0.00 1.48 1.71 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.32 7.81 98 D 7.99 4.30 0.00 2.89 2.65 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 99 L 7.74 3.95 0.00 1.79 1.64 0.81 0.64 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 0.00 100 L 7.83 4.06 0.00 1.74 1.62 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.06 4.40 0.00 2.73 2.69 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 0.00 102 R 7.56 4.43 0.00 1.79 1.93 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 103 G 7.88 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 0.00 104 I 7.46 4.40 1.99 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 1.44 1.26 0.87 0.00 0.00 105 D 8.71 4.64 0.00 2.82 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 0.00 106 V 8.16 4.65 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 0.84 0.00 0.00 0.78 0.00 0.00 107 F 8.90 5.01 0.00 2.64 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 0.00 108 C 9.21 5.42 0.00 2.79 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 0.00 109 A 8.69 5.26 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 0.00 110 G 8.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.79 4.70 0.00 1.13 1.69 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.91 4.66 0.00 2.81 2.92 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 0.00 113 L 7.78 5.11 0.00 1.56 1.47 0.84 0.79 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 0.00 114 T 8.26 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 115 H 8.76 4.46 0.00 3.60 3.75 0.00 5.31 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.77 4.41 0.00 1.65 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.05 7.81 117 Q 8.56 3.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.76 0.00 0.00 0.00 0.00 0.00 2.00 1.76 0.00 118 N 7.56 4.73 0.00 2.56 2.60 0.00 0.00 7.02 8.03 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 0.00 119 P 0.00 4.57 0.00 2.00 1.96 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 120 F 8.92 4.39 0.00 3.17 2.84 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 0.00 121 E 9.21 3.94 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 122 T 7.95 3.92 4.29 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 1.39 0.00 0.00 123 T 7.96 3.87 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 1.24 0.00 0.00 124 A 8.35 4.01 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 0.00 125 L 8.17 3.88 0.00 1.89 1.60 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.18 4.14 0.00 1.87 1.72 0.94 0.48 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 L 7.93 4.05 0.00 1.83 1.74 0.97 0.69 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 0.00 128 S 7.76 4.29 0.00 4.03 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 0.00 129 L 7.63 4.14 0.00 1.79 1.85 0.68 0.49 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 0.00 130 A 7.24 4.02 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 0.00 131 D 8.68 4.58 0.00 2.59 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 0.00 132 T 7.67 4.70 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 1.22 0.00 0.00 133 V 8.45 4.73 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 0.82 0.00 0.00 0.92 0.00 0.00 134 I 9.03 4.46 1.98 0.00 0.00 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 1.34 0.59 1.07 0.00 0.00 135 K 8.70 4.89 0.00 1.64 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 136 K 9.53 4.71 0.00 1.64 1.94 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 137 K 8.63 4.80 0.00 1.10 1.29 0.00 1.17 0.00 0.00 1.60 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.20 7.81 138 A 8.43 4.92 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 0.00 139 V 8.36 4.38 2.17 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 0.83 0.00 0.00 1.03 0.00 0.00 140 C 9.35 4.40 0.00 3.23 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 0.00 141 H 9.47 4.14 0.00 3.31 3.38 0.00 5.80 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 0.00 142 R 8.09 4.13 0.00 1.87 1.97 0.00 3.29 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 143 C 8.24 4.22 0.00 3.01 2.97 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 0.00 144 G 8.38 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 0.00 145 E 7.66 4.39 0.00 2.16 1.92 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 2.40 2.33 0.00 146 Y 8.42 4.89 0.00 2.87 2.92 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 0.00 147 N 7.78 4.82 0.00 2.67 2.77 0.00 0.00 6.33 7.26 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 0.00 148 A 8.32 4.55 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 0.00 149 T 8.71 4.65 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 1.22 0.00 0.00 150 L 8.16 4.92 0.00 1.76 1.46 0.51 0.41 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 0.00 151 T 8.44 5.20 4.32 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 1.28 0.00 0.00 152 L 9.06 5.08 0.00 1.89 1.57 0.39 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.24 3.95 0.00 1.86 1.09 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.27 7.81 *168 K 8.69 4.05 0.00 1.74 1.66 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 169 Y 8.49 5.05 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 8.43 4.92 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.45 0.97 0.00 0.00 171 A 8.96 5.29 1.50 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 0.00 172 V 8.98 4.95 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.24 0.00 0.00 173 C 8.63 4.75 0.00 3.12 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 0.00 174 R 8.49 3.89 0.00 1.87 1.96 0.00 3.16 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 175 D 8.08 4.42 0.00 2.76 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 0.00 176 C 8.08 4.22 0.00 3.04 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 0.00 177 Y 8.36 4.01 0.00 3.22 3.16 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 0.00 178 N 7.88 4.56 0.00 2.89 2.92 0.00 0.00 7.10 7.41 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 0.00 179 T 7.69 4.09 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 1.22 0.00 0.00 180 L 7.91 4.35 0.00 1.56 1.63 0.92 0.66 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 *181 K 7.54 4.10 0.00 1.67 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.24 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.