NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.0294 0.0000 0.0000 62.4529 33.3873 178.5515 2 V 3.4971 7.5491 109.7328 61.5458 31.6940 175.3250 3 Y 4.5154 7.4906 116.2516 56.6928 39.8485 174.6483 4 V 3.6958 6.2191 120.8296 61.7727 32.2504 174.9756 5 D 4.9975 8.2222 125.0390 53.2747 41.9156 175.3818 6 F 4.7120 7.2184 111.1474 56.4556 39.7021 172.4677 7 D 4.9181 8.9453 121.8361 52.7138 42.7174 175.5750 8 V 4.4835 8.2209 124.9315 60.5416 33.3280 174.2888 9 P 4.4162 0.0000 0.0000 62.1982 32.8624 177.0926 10 A 4.0109 8.8489 124.2893 55.7148 18.1610 179.4799 11 D 4.5565 8.1231 117.8116 56.8310 40.9617 178.8283 12 L 3.9143 7.7841 119.9143 58.2897 41.7984 178.1966 13 E 4.1414 8.4450 119.3646 59.5055 29.1423 178.6495 14 D 4.3983 8.7170 119.0408 57.4495 40.8822 178.2470 15 D 4.6734 8.3352 120.3182 56.8495 40.8317 178.6367 16 A 4.1379 8.5025 121.4047 55.4750 18.3869 179.6914 17 L 3.8639 8.2540 117.2595 57.8794 41.4212 179.4101 18 E 3.9319 8.3096 118.2858 59.4702 29.4426 179.0495 19 A 4.0609 8.2956 120.8089 55.4725 18.3440 179.2108 20 L 3.9379 8.2839 118.5317 58.6483 41.8353 179.2579 21 E 4.0685 8.1332 118.3763 59.2912 29.4426 179.2368 22 V 4.0740 7.7329 110.7959 63.0385 31.3230 178.3250 23 A 4.0708 7.9196 121.7364 54.8301 18.0181 179.7859 24 R 3.7299 7.5685 114.1628 59.5018 29.7446 178.5551 25 D 4.4880 7.6480 117.4134 55.3527 41.0332 177.4037 26 T 4.0577 8.3447 115.0357 64.7500 68.1287 178.1372 27 G 4.6733 5.3800 116.7786 44.9956 0.0000 176.2294 28 A 4.8520 9.1006 125.6719 50.1995 22.5815 174.8660 29 V 4.7776 8.2832 111.4581 59.6977 36.4270 174.8382 30 K 4.6282 9.5708 122.8340 54.6689 34.6266 175.3132 31 K 4.6548 8.6040 124.4370 55.3868 34.2786 176.3934 32 G 4.1035 8.6205 113.4662 45.2391 0.0000 174.7692 33 T 3.8518 8.8208 119.7373 66.4655 68.4941 176.4107 34 N 4.2721 8.0685 118.2369 56.9125 38.8676 176.4697 35 E 3.9951 8.2162 119.3947 59.9252 29.4659 179.4941 36 T 3.9304 8.1248 115.6456 66.7499 68.4647 176.9410 37 T 3.8518 8.0288 117.7684 66.7302 68.5929 176.9403 38 K 4.8235 8.0771 121.4860 58.8907 31.8588 179.6962 39 S 4.0648 7.8174 115.3562 61.8060 62.6811 176.5107 40 I 3.6786 7.3489 120.8107 64.5577 37.0699 178.1106 41 E 4.1709 8.1739 119.4060 59.1692 29.3520 178.5242 42 R 4.4180 8.4484 116.2620 55.3757 29.9968 177.3586 43 G 4.1240 7.8340 106.7632 46.5064 0.0000 173.9142 44 S 4.6871 7.5326 111.3129 57.9843 63.5924 173.7432 45 A 4.7701 7.8249 122.3886 51.5686 21.8868 176.2965 46 E 4.4703 8.7194 121.2995 57.7179 31.7264 176.3430 47 L 4.9859 7.6803 120.5650 53.5361 45.8096 175.1637 48 V 4.9864 8.6618 119.0552 59.6706 35.0157 174.5447 49 F 5.3422 10.4278 122.7043 55.9319 42.0079 175.2187 50 V 4.7249 8.7718 121.5121 60.9759 34.2099 174.7426 51 A 4.6747 9.2521 130.7616 52.5525 18.4948 176.7548 52 E 4.5411 8.8685 118.5628 55.8299 30.8524 177.2133 53 D 4.6361 7.6818 120.9449 52.0597 38.5892 176.1051 54 V 4.3521 7.3840 118.3859 61.6585 33.9611 174.4519 55 Q 4.4331 8.3571 127.3094 53.7214 31.5402 172.4105 56 P 4.5181 0.0000 0.0000 62.3140 32.4331 177.2417 57 E 4.0750 8.8084 120.0173 58.8729 28.8542 179.2014 58 E 3.9128 8.2605 118.9888 59.8099 29.3366 178.9531 59 I 3.7308 7.0689 117.9433 63.7706 37.4297 176.7932 60 V 4.1904 7.1829 115.2626 62.1879 33.2989 177.1102 61 M 3.7647 7.7472 119.2602 59.1642 32.0174 178.0342 62 H 4.3562 8.3010 114.5251 58.2544 28.7845 177.1406 63 I 3.3633 7.3067 122.7174 64.6726 36.9529 175.5274 64 P 3.0276 0.0000 0.0000 66.3312 31.0899 177.9052 65 E 4.0904 7.9563 116.7538 59.3212 29.6292 178.8439 66 L 3.9178 7.7156 119.0816 58.2067 42.4508 178.5049 67 A 4.1774 8.2036 120.7682 55.3272 18.3831 179.0289 68 D 4.4757 8.2968 117.6300 57.3587 41.0324 178.6631 69 E 4.9061 8.1183 116.1035 56.0458 30.9892 177.6481 70 K 4.3287 8.4087 114.6214 57.8591 36.7918 178.8325 71 G 3.9412 8.2376 107.7167 46.3901 0.0000 174.7184 72 V 3.6522 7.7886 120.2276 63.0197 31.8810 174.3736 73 P 4.6455 0.0000 0.0000 62.3616 32.7391 175.1474 74 F 5.3972 7.6419 115.8207 55.4460 41.4148 173.4790 75 I 4.5724 8.4061 119.1994 59.4066 41.5595 174.1598 76 F 5.4796 8.6739 126.6084 57.1085 40.4400 175.8441 77 V 4.5962 8.5981 120.6385 62.3550 33.0283 176.1947 *78 E 4.3006 8.3479 117.0316 55.7369 31.4446 175.5300 79 Q 4.8999 8.2002 118.7975 54.5685 32.1897 174.7709 80 Q 4.3859 8.2172 116.0726 58.6464 29.7216 177.4169 81 D 4.4482 7.9544 119.2739 56.9977 40.6568 178.4324 82 D 4.3303 7.9874 119.3407 57.3421 40.9606 178.1343 83 L 3.7813 8.0511 120.4733 58.1844 41.9058 179.1523 84 G 3.6574 7.9341 106.5683 47.1735 0.0000 175.2074 85 H 4.4361 8.5289 121.6591 58.4537 29.7262 177.0822 86 A 4.0491 8.7107 122.0995 55.2014 18.3745 179.1442 87 A 4.0698 7.8726 116.2921 52.8646 18.3538 177.7838 88 G 3.7130 8.1978 105.7248 46.1491 0.0000 173.6681 89 L 4.6856 8.4415 119.3682 52.7582 43.8805 176.8303 90 E 4.4723 8.5851 120.7680 56.2473 29.3543 175.3375 91 V 4.4032 7.1830 116.7319 61.6859 34.9010 174.0738 92 G 3.8469 8.3320 110.1549 44.8275 0.0000 173.1227 93 S 4.3938 8.3396 113.4341 56.8630 64.3743 173.4475 94 A 4.3203 9.0130 130.0695 55.0335 19.2224 176.6816 95 A 5.1881 7.7959 114.1417 50.8932 22.3031 175.2047 96 A 5.0624 9.2863 120.5546 50.4913 23.6166 175.1798 97 A 4.8290 8.9741 120.3839 50.5779 22.8612 176.0972 98 V 4.0636 9.6182 124.4321 62.3532 31.5978 174.2603 99 T 4.3376 8.2919 120.6302 61.4225 67.3486 171.3127 100 D 5.1777 9.2590 132.6960 52.9987 38.7308 175.1585 101 A 4.5236 8.4063 130.4943 51.1993 17.8084 177.9738 102 G 4.9155 9.4725 119.3922 47.3763 0.0000 171.9207 103 E 3.7562 8.4696 127.9641 56.3486 27.0701 174.5954 104 A 4.5264 7.8053 119.5630 51.7952 25.3840 178.7285 105 D 4.4138 8.3879 116.4771 57.6835 40.6508 178.6743 106 A 3.9587 8.1088 120.3135 55.5600 18.2208 179.2692 107 D 4.2859 7.9841 116.1626 57.5332 41.0859 178.7889 108 V 3.5526 8.1521 119.1488 66.1334 31.5262 177.3313 109 E 3.8869 8.6149 119.1027 59.6726 28.9421 178.7375 110 D 4.5335 7.6419 119.9856 56.8653 40.8089 178.5971 111 I 3.7974 7.9971 120.3703 64.4659 37.1161 178.1840 112 A 3.8430 7.9238 121.2780 55.1853 17.7551 179.4853 113 D 4.1524 7.7826 116.7350 57.4717 40.9769 178.8564 114 K 3.8120 9.0441 119.6174 59.6279 31.8552 179.4250 115 V 3.3338 7.5935 116.9749 65.9815 31.7177 177.2378 116 E 3.8870 7.8638 118.2712 59.7635 29.0848 179.4722 117 E 3.9272 7.8327 117.0684 59.1113 29.5855 178.5877 118 L 3.9916 7.3654 116.2420 55.1111 41.9057 176.6081 119 R 4.0744 7.4178 123.4109 57.0207 31.5729 175.5636 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 P 0.00 4.03 0.00 2.01 1.97 0.00 3.44 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 2 V 7.55 3.50 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 0.67 0.00 0.00 1.08 0.00 0.00 3 Y 7.49 4.52 0.00 3.13 3.14 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 0.00 4 V 6.22 3.70 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 5 D 8.22 5.00 0.00 2.95 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 6 F 7.22 4.71 0.00 3.10 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 7 D 8.95 4.92 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.22 4.48 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 0.99 0.00 0.00 1.29 0.00 0.00 9 P 0.00 4.42 0.00 2.23 1.99 0.00 3.74 0.00 0.00 4.01 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 10 A 8.85 4.01 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 11 D 8.12 4.56 0.00 2.72 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 12 L 7.78 3.91 0.00 1.74 1.78 0.92 0.85 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 13 E 8.44 4.14 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 14 D 8.72 4.40 0.00 2.93 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 15 D 8.34 4.67 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.50 4.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.25 3.86 0.00 1.94 1.72 0.96 0.70 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 18 E 8.31 3.93 0.00 2.25 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 0.00 2.35 2.65 0.00 19 A 8.30 4.06 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 20 L 8.28 3.94 0.00 1.49 1.64 0.83 0.15 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 21 E 8.13 4.07 0.00 2.26 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 2.45 2.52 0.00 22 V 7.73 4.07 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 0.79 0.00 0.00 1.01 0.00 0.00 23 A 7.92 4.07 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 24 R 7.57 3.73 0.00 1.92 2.05 0.00 3.04 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 25 D 7.65 4.49 0.00 2.72 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 26 T 8.34 4.06 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 1.24 0.00 0.00 27 G 5.38 4.67 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 28 A 9.10 4.85 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 29 V 8.28 4.78 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 0.77 0.00 0.00 0.92 0.00 0.00 30 K 9.57 4.63 0.00 1.69 1.71 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.54 7.81 31 K 8.60 4.65 0.00 1.61 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.40 7.81 32 G 8.62 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.82 3.85 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 1.26 0.00 0.00 34 N 8.07 4.27 0.00 2.83 2.81 0.00 0.00 7.18 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 35 E 8.22 4.00 0.00 2.06 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 0.00 2.41 2.42 0.00 36 T 8.12 3.93 4.43 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 1.24 0.00 0.00 37 T 8.03 3.85 4.41 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 1.30 0.00 0.00 38 K 8.08 4.82 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.53 7.81 39 S 7.82 4.06 0.00 4.04 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 40 I 7.35 3.68 1.98 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 1.54 0.68 0.92 0.00 0.00 41 E 8.17 4.17 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 42 R 8.45 4.42 0.00 1.82 1.95 0.00 3.34 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 43 G 7.83 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 0.00 0.00 0.00 44 S 7.53 4.69 0.00 4.12 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 45 A 7.82 4.77 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 46 E 8.72 4.47 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 47 L 7.68 4.99 0.00 1.64 1.41 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.66 4.99 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 0.76 0.00 0.00 1.08 0.00 0.00 49 F 10.43 5.34 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 50 V 8.77 4.72 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 1.16 0.00 0.00 0.93 0.00 0.00 51 A 9.25 4.67 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 52 E 8.87 4.54 0.00 1.93 1.81 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 1.86 2.24 0.00 53 D 7.68 4.64 0.00 2.79 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 54 V 7.38 4.35 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 0.81 0.00 0.00 1.04 0.00 0.00 55 Q 8.36 4.43 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 56 P 0.00 4.52 0.00 2.58 2.16 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 57 E 8.81 4.07 0.00 2.12 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 2.74 2.49 0.00 58 E 8.26 3.91 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 59 I 7.07 3.73 1.83 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 1.38 0.51 0.89 0.00 0.00 60 V 7.18 4.19 1.62 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 0.40 0.00 0.00 0.82 0.00 0.00 61 M 7.75 3.76 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 62 H 8.30 4.36 0.00 3.32 3.49 0.00 5.49 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 63 I 7.31 3.36 1.66 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 1.34 0.78 0.67 0.00 0.00 64 P 0.00 3.03 0.00 2.09 1.93 0.00 3.52 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 65 E 7.96 4.09 0.00 2.05 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 2.51 2.41 0.00 66 L 7.72 3.92 0.00 1.74 1.84 0.93 0.87 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 67 A 8.20 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.30 4.48 0.00 2.98 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 69 E 8.12 4.91 0.00 2.15 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 2.69 2.41 0.00 70 K 8.41 4.33 0.00 2.06 1.80 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.61 7.81 71 G 8.24 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 0.00 0.00 0.00 72 V 7.79 3.65 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 0.85 0.00 0.00 1.08 0.00 0.00 73 P 0.00 4.65 0.00 1.99 1.78 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 74 F 7.64 5.40 0.00 2.87 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 75 I 8.41 4.57 1.67 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 1.47 0.49 0.00 0.00 76 F 8.67 5.48 0.00 3.03 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 77 V 8.60 4.60 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 1.40 0.00 0.00 1.26 0.00 0.00 *78 E 8.35 4.30 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 79 Q 8.20 4.90 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 80 Q 8.22 4.39 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 81 D 7.95 4.45 0.00 2.73 2.70 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 82 D 7.99 4.33 0.00 2.71 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 83 L 8.05 3.78 0.00 1.77 1.86 0.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.53 4.44 0.00 3.36 3.50 0.00 5.84 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 86 A 8.71 4.05 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 87 A 7.87 4.07 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 88 G 8.20 3.71 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 0.00 0.00 0.00 89 L 8.44 4.69 0.00 1.82 1.63 0.91 -0.19 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 90 E 8.59 4.47 0.00 1.93 1.94 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 2.25 2.29 0.00 91 V 7.18 4.40 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 0.96 0.00 0.00 0.93 0.00 0.00 92 G 8.33 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 93 S 8.34 4.39 0.00 3.87 3.71 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 94 A 9.01 4.32 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 95 A 7.80 5.19 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 96 A 9.29 5.06 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 97 A 8.97 4.83 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 98 V 9.62 4.06 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 0.97 0.00 0.00 1.28 0.00 0.00 99 T 8.29 4.34 4.27 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 0.00 0.00 1.26 0.00 0.00 100 D 9.26 5.18 0.00 3.00 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 0.00 101 A 8.41 4.52 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 0.00 102 G 9.47 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.47 3.76 0.00 2.11 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 2.22 2.29 0.00 104 A 7.81 4.53 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 0.00 105 D 8.39 4.41 0.00 2.70 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 0.00 106 A 8.11 3.96 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 0.00 107 D 7.98 4.29 0.00 2.85 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 0.00 108 V 8.15 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 109 E 8.61 3.89 0.00 2.08 2.25 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 2.48 2.35 0.00 110 D 7.64 4.53 0.00 2.82 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 0.00 111 I 8.00 3.80 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.85 0.00 0.00 112 A 7.92 3.84 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 0.00 113 D 7.78 4.15 0.00 2.86 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 0.00 114 K 9.04 3.81 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 115 V 7.59 3.33 1.98 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 0.37 0.00 0.00 0.90 0.00 0.00 116 E 7.86 3.89 0.00 2.16 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 2.36 2.42 0.00 117 E 7.83 3.93 0.00 2.09 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 2.29 2.43 0.00 118 L 7.37 3.99 0.00 1.60 1.54 0.91 0.96 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 0.00 119 R 7.42 4.07 0.00 1.93 1.80 0.00 3.37 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.