NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2884 8.1844 120.6307 54.4555 43.4436 176.7759 3 S 3.9442 8.0188 112.1043 57.4369 64.5097 171.2877 4 P 4.2978 0.0000 0.0000 65.0315 31.9926 178.1057 5 A 4.1037 7.9095 119.7171 55.2893 18.2600 178.9251 6 D 4.3130 8.1603 116.8375 57.9734 40.7768 179.2451 7 K 3.6779 7.7029 118.1567 60.1811 32.0880 179.4615 8 T 3.9020 7.9561 115.7119 66.3756 67.8321 176.7415 9 N 4.2223 7.8668 117.9943 56.2328 38.6291 177.1210 10 V 3.4658 7.7142 119.6111 66.0835 31.4265 177.9793 11 K 3.8602 7.6770 117.6057 59.5647 31.9236 178.8337 12 A 3.9599 7.8268 120.0124 55.2038 18.3230 179.1086 13 A 3.9488 8.3640 118.8987 55.3154 18.5234 179.5499 14 W 4.1951 8.6513 126.4648 60.7518 30.6198 178.2983 15 G 3.9892 8.5238 107.0326 48.4432 0.0000 176.1002 16 K 4.1824 7.8008 125.1438 59.6133 31.8376 182.2095 17 V 3.7782 7.5717 118.7457 63.6810 31.9256 178.8294 18 G 3.6280 8.9747 106.1265 46.0999 0.0000 174.8510 19 A 3.9638 8.9871 123.0137 53.3522 18.4223 177.9254 20 H 4.4765 7.5127 113.8085 54.7459 29.7124 175.1634 21 A 3.6979 7.5873 123.9701 55.5144 18.0274 179.6491 22 G 3.7228 8.0310 102.6403 48.2530 0.0000 174.8872 23 E 3.9988 8.1197 120.8496 59.4347 29.5611 179.3555 24 Y 4.3748 8.5929 116.7539 60.7616 37.9153 178.8047 25 G 3.7038 8.7739 107.0238 47.7938 0.0000 175.5854 26 A 3.9822 8.0184 123.7584 54.7768 18.4763 179.0632 27 E 4.0201 8.4353 117.7560 59.5280 29.5831 178.8854 28 A 3.9168 8.1941 120.5152 55.2948 18.5208 179.2613 29 L 3.5643 7.6708 116.9572 58.1440 41.5554 179.8620 30 E 4.0930 8.2641 118.0855 59.6238 29.3133 179.6573 31 R 3.9065 7.9161 118.0480 59.1919 30.0358 178.7835 32 M 4.4600 7.9575 117.9990 58.9121 31.9189 178.4158 33 F 4.8117 7.8755 117.3534 59.5951 38.7086 176.9941 34 L 4.2254 7.2878 119.1797 57.5192 42.6342 178.4155 35 S 4.0079 8.5845 114.2024 59.8297 63.9656 174.4246 36 F 5.1148 8.2054 120.1724 57.1189 39.4668 174.2706 37 P 4.5308 0.0000 0.0000 66.6723 31.6265 178.7407 38 T 3.7385 8.1694 113.8135 64.3654 66.4218 175.5639 39 T 3.6161 8.6893 118.5907 66.4958 68.3271 176.2133 40 K 3.9240 8.4743 120.6497 60.1797 31.8942 179.4015 41 T 3.8416 7.0057 113.2657 67.1162 68.3070 174.7402 42 Y 4.2022 6.5174 113.8874 58.8382 37.4397 176.2622 43 F 4.9444 8.8054 120.2523 55.4349 40.5249 172.2407 44 P 4.9535 0.0000 0.0000 62.6248 31.7898 175.1085 45 H 4.8043 8.1415 114.1474 55.4140 29.5521 173.1153 46 F 4.8734 7.6592 116.1844 55.7114 42.7877 173.9519 47 D 4.5435 10.6100 123.9000 54.2207 40.5829 175.8875 48 L 4.5589 8.3045 126.3128 54.3605 42.2045 177.0319 49 S 4.3623 8.0619 114.4774 57.4731 63.8899 172.9566 50 H 4.2693 8.5636 121.3667 59.0335 29.3778 175.2557 51 G 3.9897 9.0047 115.7540 44.8983 0.0000 173.5217 52 S 4.2311 8.2340 115.4848 58.9333 64.6963 175.2661 53 A 4.1432 8.5058 124.4005 54.9278 18.3363 180.2954 54 Q 3.9597 7.9975 116.5116 59.1416 28.9194 178.8476 55 V 3.5608 8.1081 119.5642 65.9382 31.4595 177.9702 56 K 4.0735 8.0649 119.0609 59.2723 32.0721 179.1390 57 G 3.5983 8.3849 106.5792 48.0791 0.0000 175.1443 58 H 4.4356 9.0392 121.0458 57.5034 29.7783 177.4404 59 G 3.5814 8.2160 107.8969 48.0471 0.0000 175.7497 60 K 3.9486 7.7871 122.4014 59.0500 32.0159 178.9581 61 K 3.9565 7.8944 118.6222 59.5333 32.1086 179.7638 62 V 3.6274 7.7814 118.8810 65.3738 31.0527 176.8891 63 A 4.4831 8.6972 122.6764 53.0275 18.0475 179.3316 64 D 4.4225 8.5539 114.9867 57.0244 41.3919 179.2081 65 A 3.9316 8.3737 121.3567 55.2674 18.1015 179.2473 66 L 3.6557 7.9044 116.4384 58.2780 42.0651 179.8818 67 T 3.8396 8.1896 115.4332 66.8404 68.4909 175.6106 68 N 4.1209 8.1661 118.3799 56.8499 38.7585 176.4365 69 A 4.0008 7.9356 121.7988 54.7512 18.5810 179.4115 70 V 3.7060 7.7157 116.6234 65.5636 31.6118 177.6792 71 A 4.0008 7.5917 119.0195 55.0923 18.6647 178.4329 72 H 4.8455 7.8389 112.6793 56.0346 29.5003 177.6929 73 V 3.9127 7.0793 119.2435 61.1162 29.9644 175.8915 *75 D 4.4196 7.6566 127.1299 55.3741 42.9434 176.5854 76 M 4.3371 7.9529 118.8699 56.5879 33.6498 176.4257 77 P 4.7759 0.0000 0.0000 62.8973 31.2506 176.2508 78 N 4.9076 7.8175 113.9375 52.6781 40.8410 175.4720 79 A 4.1488 7.7138 119.8343 52.7388 19.0134 177.2845 80 L 4.6001 7.7559 115.5090 54.6013 47.4038 173.2295 *92 R 4.0840 8.4479 122.0658 54.7422 30.1695 173.5943 93 V 3.4258 9.2080 122.3630 62.0449 32.0870 169.2684 94 D 4.3042 8.4623 125.7919 54.4457 41.6766 175.2999 95 P 4.4332 0.0000 0.0000 66.0655 31.3154 178.7734 96 V 3.6876 8.0405 116.7142 66.3032 31.1749 177.8447 97 N 4.3511 8.0413 116.0670 56.3048 38.2048 177.3176 98 F 4.3881 8.5112 119.6813 59.9847 39.0968 177.8868 99 K 4.1115 7.8523 120.3346 59.1556 32.2205 178.8631 100 L 3.8781 8.1185 119.5951 57.2949 41.4021 179.0278 101 L 3.8614 8.3198 120.7802 58.4037 41.9213 178.9032 102 S 4.1148 7.7766 114.8415 62.1356 62.8741 176.0761 103 H 4.0779 8.0656 120.0683 59.9657 29.4522 176.8872 104 C 4.1781 8.2487 118.1048 62.6053 27.9373 175.6985 105 L 3.8810 8.3460 122.4832 58.2833 41.5091 178.6349 106 L 3.9302 8.2096 120.3828 57.8309 42.0975 178.7709 107 V 3.4473 7.7157 118.0309 66.5080 31.3710 178.1494 108 T 3.6985 8.5158 115.6285 66.6199 68.3133 176.4507 109 L 3.6713 7.7258 120.2717 57.7987 41.5506 179.5485 110 A 3.3430 7.5720 120.4595 54.7118 17.9498 179.2637 111 A 4.0307 7.5481 118.1455 54.3776 18.7361 178.5063 112 H 4.5014 7.4212 112.5033 55.8368 30.7066 175.0718 113 L 4.9333 7.8029 121.1578 52.6172 42.3140 176.0802 114 P 4.4459 0.0000 0.0000 64.9265 31.7721 178.1985 115 A 4.1661 8.0863 121.1711 55.2863 18.5684 178.6648 116 E 4.0777 8.2701 113.3814 58.9621 29.6867 177.7055 117 F 4.3069 7.9547 117.8504 56.2316 37.8386 174.7819 118 T 4.4044 7.9328 115.1960 60.0049 69.8779 175.2741 119 P 4.1522 0.0000 0.0000 65.3513 31.3227 178.2627 120 A 4.1594 7.8618 119.4774 54.7165 19.1957 179.1712 121 V 3.7383 7.2015 116.8333 65.6851 31.3245 177.6618 122 H 4.3188 8.4391 117.5222 59.4250 29.8421 177.0403 123 A 4.1507 7.9335 121.8772 55.4779 17.8275 179.7740 124 S 4.2921 8.7312 113.6721 61.1503 62.8189 176.5826 125 L 4.3181 7.6966 121.3693 57.0078 41.7187 178.2242 126 D 4.3429 8.4861 118.5391 57.3843 40.9971 178.1417 127 K 3.8444 7.9960 119.7384 59.7561 32.2867 178.0727 128 F 4.2924 7.9422 120.1227 61.6926 39.2746 177.0213 129 L 3.7787 8.6573 117.8641 56.7890 41.1608 178.6400 130 A 4.1725 8.1068 120.2349 53.6666 18.3399 179.3752 131 S 4.1885 7.5533 113.9836 61.0190 63.5944 176.6514 132 V 3.1848 7.1868 120.5500 65.8484 30.9081 177.9692 133 S 4.0925 7.9492 112.8318 61.6592 62.1802 176.4062 134 T 3.8164 7.3597 117.9152 66.6101 68.0645 176.9556 135 V 3.0170 8.2019 119.0374 65.1598 31.4307 177.6505 136 L 3.9719 7.2248 117.5953 57.4634 41.6475 178.2961 137 T 4.2763 7.2487 106.0179 62.3140 69.3161 175.9112 138 S 4.2291 8.6752 117.2248 60.2652 62.5569 173.3873 139 K 4.0544 7.3311 126.8592 56.7824 31.8974 176.0436 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 L 8.18 4.29 0.00 1.66 1.78 0.94 0.56 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 3 S 8.02 3.94 0.00 3.96 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 4 P 0.00 4.30 0.00 2.05 2.07 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 5 A 7.91 4.10 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 6 D 8.16 4.31 0.00 2.90 2.74 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 0.00 0.00 0.00 0.00 7 K 7.70 3.68 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.77 7.81 8 T 7.96 3.90 4.33 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 0.00 0.00 0.00 1.18 0.00 0.00 9 N 7.87 4.22 0.00 2.86 2.74 0.00 0.00 6.76 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 10 V 7.71 3.47 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.58 0.00 0.00 11 K 7.68 3.86 0.00 1.76 1.84 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.71 7.81 12 A 7.83 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.36 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.65 4.20 0.00 3.58 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 15 G 8.52 3.99 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 0.00 0.00 0.00 16 K 7.80 4.18 0.00 1.89 1.74 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 17 V 7.57 3.78 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 0.19 0.00 0.00 0.77 0.00 0.00 18 G 8.97 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.99 3.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.51 4.48 0.00 1.99 1.71 0.00 5.66 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 21 A 7.59 3.70 1.34 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 22 G 8.03 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 23 E 8.12 4.00 0.00 2.15 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 0.00 2.43 2.39 0.00 24 Y 8.59 4.37 0.00 2.95 2.91 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 25 G 8.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.02 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.44 4.02 0.00 2.16 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 0.00 2.28 2.35 0.00 28 A 8.19 3.92 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 29 L 7.67 3.56 0.00 1.82 1.48 0.59 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.26 4.09 0.00 2.25 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 0.00 2.43 2.64 0.00 31 R 7.92 3.91 0.00 2.03 1.94 0.00 3.08 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 32 M 7.96 4.46 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 33 F 7.88 4.81 0.00 3.29 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 34 L 7.29 4.23 0.00 1.77 1.61 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.58 4.01 0.00 3.26 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 36 F 8.21 5.11 0.00 3.27 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 37 P 0.00 4.53 0.00 2.23 2.31 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 38 T 8.17 3.74 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 1.27 0.00 0.00 39 T 8.69 3.62 4.62 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 1.48 0.00 0.00 40 K 8.47 3.92 0.00 1.81 1.77 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.05 1.63 7.81 41 T 7.01 3.84 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 1.22 0.00 0.00 42 Y 6.52 4.20 0.00 1.48 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 0.00 0.00 0.00 0.00 43 F 8.81 4.94 0.00 3.01 3.15 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 44 P 0.00 4.95 0.00 2.17 2.11 0.00 3.68 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 1.78 1.91 0.00 45 H 8.14 4.80 0.00 2.36 2.67 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.66 4.87 0.00 3.03 3.03 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 47 D 10.61 4.54 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.56 0.00 1.40 1.16 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.06 4.36 0.00 4.04 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 50 H 8.56 4.27 0.00 3.11 3.32 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.00 3.99 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 0.00 0.00 0.00 52 S 8.23 4.23 0.00 4.26 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 0.00 53 A 8.51 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.96 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 55 V 8.11 3.56 2.13 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 1.06 0.00 0.00 1.09 0.00 0.00 56 K 8.06 4.07 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 57 G 8.38 3.60 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 0.00 0.00 0.00 58 H 9.04 4.44 0.00 3.37 3.28 0.00 5.78 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 59 G 8.22 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 60 K 7.79 3.95 0.00 1.86 2.03 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.55 7.81 61 K 7.89 3.96 0.00 1.92 1.75 0.00 1.55 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.66 7.81 62 V 7.78 3.63 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 0.99 0.00 0.00 1.00 0.00 0.00 63 A 8.70 4.48 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 0.00 0.00 64 D 8.55 4.42 0.00 2.90 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 65 A 8.37 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.66 0.00 1.81 0.97 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.19 3.84 4.53 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 1.33 0.00 0.00 68 N 8.17 4.12 0.00 2.83 2.98 0.00 0.00 7.15 7.52 0.00 0.00 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 A 7.94 4.00 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 70 V 7.72 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 0.90 0.00 0.00 0.64 0.00 0.00 71 A 7.59 4.00 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 72 H 7.84 4.85 0.00 3.19 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.08 3.91 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 0.59 0.00 0.00 0.92 0.00 0.00 *75 D 7.66 4.42 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 7.95 4.34 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 77 P 0.00 4.78 0.00 2.01 2.03 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 78 N 7.82 4.91 0.00 2.69 2.88 0.00 0.00 7.00 7.35 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 79 A 7.71 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.76 4.60 0.00 1.65 1.65 0.89 -0.19 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 *92 R 8.45 4.08 0.00 1.86 1.65 0.00 3.33 0.00 0.00 3.14 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 93 V 9.21 3.43 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 0.87 0.00 0.00 1.04 0.00 0.00 94 D 8.46 4.30 0.00 2.30 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 0.00 0.00 0.00 95 P 0.00 4.43 0.00 2.22 2.15 0.00 3.66 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 2.12 2.19 0.00 96 V 8.04 3.69 2.13 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 1.08 0.00 0.00 1.03 0.00 0.00 97 N 8.04 4.35 0.00 2.65 2.72 0.00 0.00 6.87 9.28 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 98 F 8.51 4.39 0.00 3.26 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 99 K 7.85 4.11 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.31 7.81 100 L 8.12 3.88 0.00 1.73 1.46 0.72 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.32 3.86 0.00 1.69 1.83 0.86 0.92 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 0.00 102 S 7.78 4.11 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.07 4.08 0.00 3.32 3.59 0.00 5.78 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 0.00 104 C 8.25 4.18 0.00 3.21 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 0.00 105 L 8.35 3.88 0.00 1.91 1.79 1.01 0.78 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 0.00 106 L 8.21 3.93 0.00 1.80 1.82 1.10 0.95 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 0.00 107 V 7.72 3.45 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 0.90 0.00 0.00 0.88 0.00 0.00 108 T 8.52 3.70 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 0.99 0.00 0.00 109 L 7.73 3.67 0.00 1.44 1.44 1.39 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.57 3.34 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.55 4.03 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 0.00 112 H 7.42 4.50 0.00 2.78 3.20 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.80 4.93 0.00 1.91 1.74 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.45 0.00 2.18 2.18 0.00 3.34 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 115 A 8.09 4.17 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.27 4.08 0.00 2.11 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 0.00 2.36 2.40 0.00 117 F 7.95 4.31 0.00 3.05 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 0.00 118 T 7.93 4.40 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 1.22 0.00 0.00 119 P 0.00 4.15 0.00 2.19 2.17 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 120 A 7.86 4.16 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 0.00 121 V 7.20 3.74 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 0.48 0.00 0.00 0.83 0.00 0.00 122 H 8.44 4.32 0.00 3.49 3.55 0.00 5.65 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 0.00 123 A 7.93 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.73 4.29 0.00 3.94 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 0.00 125 L 7.70 4.32 0.00 2.11 1.94 1.28 0.97 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 0.00 126 D 8.49 4.34 0.00 2.72 2.91 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 0.00 127 K 8.00 3.84 0.00 2.12 1.88 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 128 F 7.94 4.29 0.00 3.15 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 0.00 129 L 8.66 3.78 0.00 1.79 1.65 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.11 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.55 4.19 0.00 3.88 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 0.00 132 V 7.19 3.18 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 0.74 0.00 0.00 0.16 0.00 0.00 133 S 7.95 4.09 0.00 4.06 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 0.00 134 T 7.36 3.82 4.28 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 1.17 0.00 0.00 135 V 8.20 3.02 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 0.86 0.00 0.00 136 L 7.22 3.97 0.00 1.54 0.60 0.41 0.23 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 0.00 137 T 7.25 4.28 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 1.34 0.00 0.00 138 S 8.68 4.23 0.00 3.83 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 0.00 139 K 7.33 4.05 0.00 1.96 1.54 0.00 2.00 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.