NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5552 8.3349 115.4243 58.1616 64.1483 172.6136 3 L 4.7292 8.3776 123.6584 52.8295 46.5553 174.0918 4 D 4.9198 9.5919 121.8285 52.7713 42.6652 175.7604 5 W 5.0079 8.9252 123.8445 56.3662 30.6291 176.1511 6 T 4.7866 8.6703 116.6156 60.9608 70.7603 171.9514 7 C 5.2658 8.9651 127.9112 57.8970 33.5750 172.6924 8 K 4.8353 8.8499 125.7505 54.4483 35.3350 175.8447 9 H 4.2415 8.6625 122.3153 55.7428 30.8950 176.0614 10 H 4.2714 8.6522 120.7141 58.6565 28.3810 177.2894 11 A 4.1591 8.0256 121.0521 53.9168 18.2859 177.2270 12 D 4.8527 7.8097 114.1718 53.7054 41.5667 176.8790 13 L 4.3972 7.6246 120.0447 54.9491 42.4078 177.1559 14 T 4.6064 8.5029 112.0231 60.1253 72.1226 175.7881 15 L 4.0220 8.4464 122.2110 58.1478 41.6053 179.9868 16 K 3.9806 8.0516 117.5805 59.5780 32.1149 178.8649 17 E 4.2856 8.0683 118.1363 59.5305 29.5037 179.0906 18 L 3.9264 7.9844 120.1801 58.3756 42.0396 178.3295 19 Y 3.8461 8.1169 118.9998 60.5955 38.7922 177.7424 20 A 4.0030 8.5388 122.2825 55.3042 18.6169 179.6775 21 L 3.6036 8.3911 118.4217 58.7478 40.4142 179.3956 22 L 3.8937 7.8171 119.8128 57.2592 41.5301 179.0704 23 Q 3.7709 7.9725 120.1332 58.7266 28.8983 177.9486 24 L 3.8051 7.8151 121.5490 58.0572 42.0465 179.0964 25 R 3.8031 7.6707 117.8956 59.5291 29.8936 179.2746 26 T 3.9079 7.9411 115.5491 66.4702 68.3661 176.3707 27 E 3.8339 8.0481 121.3246 59.0761 29.3991 178.9318 28 V 3.5277 7.4658 117.8233 65.7851 31.6204 178.1553 29 F 4.7351 7.6518 117.6770 59.4777 38.9716 177.3950 30 V 4.7236 7.7255 118.6049 65.2834 31.7875 177.5935 31 V 3.7530 8.2681 119.1150 65.5145 31.2534 177.8047 32 E 3.8982 8.6979 119.2172 58.8688 29.4872 177.8525 33 Q 4.3012 8.0129 117.1339 54.6938 29.5634 175.4061 34 K 3.8365 7.8146 117.3267 57.8570 30.2478 176.1716 35 C 4.6627 8.5245 118.7675 56.9704 33.2130 171.2671 36 P 4.7740 0.0000 0.0000 61.4801 29.4838 174.3875 37 Y 4.7604 7.7511 120.7440 55.5989 41.1097 177.3206 38 Q 3.9858 8.0776 121.6352 54.4317 27.4867 174.3670 39 E 3.4303 7.7162 123.6037 58.3502 30.1427 177.8985 40 V 3.9099 7.6017 119.9638 61.8855 29.6997 174.6318 41 D 4.5473 8.0664 118.9461 52.6459 39.7616 178.6758 42 G 3.9230 8.1492 107.1320 46.2116 0.0000 174.2591 43 L 4.5373 7.7020 117.9796 54.7017 42.1446 177.3082 44 D 4.6535 8.0790 119.7374 56.3814 41.4169 176.9428 45 L 4.6275 7.6341 117.4831 54.0114 42.3786 175.8969 46 V 4.5559 6.9826 110.4741 59.9117 37.1604 179.8496 47 G 3.9435 8.2143 111.3736 47.4336 0.0000 173.8755 48 D 5.1074 10.0962 121.3688 53.5688 41.8627 175.0958 49 T 4.2366 8.0730 115.8461 65.0865 69.5789 173.5296 50 H 5.3790 9.7065 123.3108 54.5890 32.5087 173.5571 51 H 5.0838 9.3457 116.6436 54.2928 32.2966 173.2954 52 L 5.3199 8.8723 125.6936 53.1772 44.6457 175.1410 *54 A 3.8040 8.2411 122.5754 51.3966 19.7359 175.7511 55 W 5.1403 8.6263 122.2293 55.3851 33.0383 176.0618 56 R 4.5321 9.2183 122.2239 56.5583 32.2471 174.9108 57 D 4.2246 9.8166 128.0260 55.5549 38.0797 175.0446 58 G 4.1514 8.2876 104.1987 45.7775 0.0000 172.7737 59 Q 4.4885 7.9477 119.4089 53.8258 30.6269 174.5413 60 L 3.4791 7.7477 124.1233 53.9193 42.1662 175.7973 61 L 4.4547 8.1270 126.2773 55.5384 43.4713 176.4810 62 A 5.0343 7.3965 118.2531 50.8570 22.2787 174.7519 63 Y 5.1887 9.1326 120.6925 56.8008 43.0247 173.4197 64 L 4.7540 7.2817 121.7521 55.3192 44.3743 173.6812 65 R 4.8428 8.7483 121.5761 54.5750 33.1509 174.4878 66 L 5.2256 8.6193 125.1781 53.0859 44.5503 175.2977 67 L 4.9241 9.0042 125.2474 52.9359 43.3941 176.5732 68 D 3.5519 8.6087 123.2325 51.9816 40.4822 174.6701 69 P 4.5037 0.0000 0.0000 65.4200 31.5227 179.0972 70 V 3.5964 7.6801 111.1943 64.0048 31.5311 177.1032 71 R 4.1336 8.0370 116.2813 57.2972 30.9556 176.1507 72 H 4.7090 7.8567 114.8742 56.9071 29.3025 173.4532 73 E 3.4672 8.9344 114.0762 57.4856 27.4726 176.3698 74 G 3.8794 8.3830 102.4622 46.2620 0.0000 173.5640 75 Q 4.7016 7.8503 117.1553 53.7526 33.4384 174.8014 76 V 3.7080 8.6397 117.0029 60.7865 33.3292 175.1514 77 V 4.7612 8.2250 125.5460 61.4155 33.3209 174.2523 78 I 4.7944 8.5827 129.6591 60.0995 38.7846 175.3330 79 G 3.9563 9.1005 112.5722 45.7224 0.0000 172.5165 80 R 4.0278 8.5364 115.1843 56.9734 27.8013 176.5444 81 V 4.3407 8.0032 117.3201 63.0205 32.1102 175.4133 82 V 4.7759 9.1100 127.1682 60.5333 35.1368 173.7266 83 S 4.9723 8.2756 115.6403 56.4321 66.2111 173.5922 84 S 4.1398 9.4896 119.4976 58.4326 62.6053 175.1946 85 S 4.0496 8.9361 121.1470 61.4519 62.6844 175.6835 86 A 4.0453 7.9813 122.1488 53.9543 18.3180 177.4582 87 A 4.6937 7.7413 118.1078 52.0616 19.4499 176.9093 88 R 4.3570 7.8944 117.7110 57.7153 31.6470 177.3945 89 G 3.9534 8.7558 106.9545 46.1208 0.0000 174.0367 90 Q 4.4539 7.9791 116.8896 55.4361 28.9803 175.7085 91 G 4.0126 8.2187 105.5095 47.0700 0.0000 176.4668 92 L 4.2686 8.1504 122.5517 57.1381 41.3508 179.0165 93 G 3.7830 8.1741 104.7818 48.4909 0.0000 174.9723 94 H 5.0554 8.1119 118.2996 58.1632 29.0949 177.5274 95 Q 4.1640 8.0116 120.0654 58.6033 28.4836 178.4810 96 L 3.9656 8.1565 116.6700 55.6501 41.3456 178.3152 *98 E 4.3420 8.0392 121.7384 56.4378 31.2958 178.2229 99 R 3.8902 7.7850 117.3050 58.6959 29.8141 178.9890 100 A 3.9998 8.4605 121.2710 55.2478 18.4553 179.6140 101 L 4.0088 7.9693 117.0628 58.0998 41.7439 179.4801 102 Q 3.9858 8.1027 118.8576 58.8874 28.9723 178.1230 103 A 3.9212 8.2853 122.0204 54.9849 18.4016 179.3595 104 A 4.3351 8.3994 119.7076 55.4060 18.2277 179.4482 105 E 3.8879 8.2600 117.7492 59.4114 29.5236 179.0565 106 R 3.8356 7.7468 117.2639 59.4317 30.2601 178.1883 107 L 3.6768 7.8859 117.5855 56.1290 42.7714 177.8337 108 W 5.1018 8.3774 117.4133 56.5738 29.7479 174.9604 109 L 4.0635 7.5766 117.2583 56.3869 42.6151 175.7718 110 D 4.4640 8.8100 123.2813 55.4336 38.5077 173.0227 111 T 4.5373 7.8216 116.3279 60.9879 69.8418 173.1236 112 P 4.5349 0.0000 0.0000 63.1405 32.8654 175.0721 113 V 4.8290 8.1518 121.6933 61.6364 33.8255 173.8490 114 Y 5.2682 9.5030 128.5950 55.8589 41.6471 174.0167 115 L 4.7824 7.0935 123.6794 54.3860 44.4587 174.9109 116 S 4.3408 8.3896 114.9489 56.7832 62.6166 172.9347 117 A 4.4242 7.8804 130.1646 49.9675 21.4976 176.0906 118 Q 3.7922 8.4598 119.3445 56.1283 29.3592 177.2512 119 A 3.9498 9.3633 128.2198 55.7468 18.4180 178.8854 120 H 4.3132 8.3378 110.8132 58.7237 28.9531 178.5251 121 L 4.5349 6.8084 121.3883 54.9054 39.7857 178.8550 122 Q 4.0467 9.3075 123.3261 60.1142 29.1519 176.3928 123 A 4.0738 8.0242 121.7058 55.0111 18.3563 178.3987 124 Y 3.9743 8.1318 116.7850 61.4478 38.8916 177.7925 125 Y 4.5278 7.8039 117.0284 60.5961 38.1280 177.9961 126 G 4.3172 8.1096 106.8134 48.0832 0.0000 175.5482 127 R 4.1552 7.8579 118.2083 58.1114 30.5004 176.7853 128 Y 4.2477 8.8479 116.4409 57.7458 38.1444 176.8834 129 G 3.9212 8.2537 108.5102 45.0418 0.0000 173.8377 130 F 4.6723 8.1309 118.3554 56.9737 40.4592 174.7431 131 V 4.9124 8.5335 121.1517 60.5813 34.6228 175.1163 132 A 4.3599 8.8013 128.0144 52.5949 18.5917 177.7291 133 V 4.4411 9.3613 113.6186 60.8940 33.5845 175.1423 134 T 4.7495 7.5642 108.7304 59.7779 71.9121 172.6547 135 E 4.3979 8.5289 122.8789 54.9040 30.6959 175.8283 136 V 4.0878 8.0646 121.9113 61.8664 32.3004 174.7474 137 Y 5.0129 8.1457 120.4566 55.4956 42.0689 173.6379 138 L 5.1230 8.6255 119.0252 53.4692 43.9076 176.6677 139 E 4.3756 8.6091 121.3011 55.6196 32.5265 175.3435 140 D 4.3324 9.5901 124.9961 55.3871 39.7263 172.9727 141 D 4.4033 8.2870 111.5039 54.6871 40.2184 171.9416 142 I 4.5925 8.2990 120.0748 58.3302 39.2443 173.3420 143 P 4.7716 0.0000 0.0000 63.3645 32.4831 175.1009 144 H 5.3179 8.8662 120.1977 54.0765 33.6766 172.1852 145 I 4.3838 8.3761 118.9984 59.8903 41.7686 174.7049 146 G 4.7410 9.6886 117.6311 45.0474 0.0000 172.3017 *148 R 4.9011 8.2517 115.1808 56.0339 31.3429 174.2581 149 R 4.5800 8.7462 121.2319 55.4510 32.3787 175.8269 150 A 4.0968 8.5941 127.9226 52.7501 18.7763 176.0431 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 8.33 4.56 0.00 4.05 4.01 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 0.00 0.00 0.00 3 L 8.38 4.73 0.00 1.40 1.40 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.59 4.92 0.00 2.64 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 5 W 8.93 5.01 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.67 4.79 4.36 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 1.45 0.00 0.00 7 C 8.97 5.27 0.00 3.08 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 8 K 8.85 4.84 0.00 1.87 1.74 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 9 H 8.66 4.24 0.00 3.08 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.65 4.27 0.00 3.60 3.89 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.03 4.16 1.22 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 0.00 0.00 12 D 7.81 4.85 0.00 2.84 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 13 L 7.62 4.40 0.00 1.72 1.66 0.89 0.90 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 14 T 8.50 4.61 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 1.20 0.00 0.00 15 L 8.45 4.02 0.00 1.71 1.80 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.05 3.98 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 17 E 8.07 4.29 0.00 2.30 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 2.58 2.37 0.00 18 L 7.98 3.93 0.00 1.92 1.75 0.96 0.88 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 19 Y 8.12 3.85 0.00 3.26 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 20 A 8.54 4.00 1.49 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 0.00 0.00 21 L 8.39 3.60 0.00 0.96 1.74 0.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.82 3.89 0.00 1.67 1.57 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.97 3.77 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 24 L 7.82 3.81 0.00 1.60 1.41 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.67 3.80 0.00 2.08 2.32 0.00 3.24 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 26 T 7.94 3.91 4.15 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 1.18 0.00 0.00 27 E 8.05 3.83 0.00 2.05 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 0.00 2.22 2.26 0.00 28 V 7.47 3.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.76 0.00 0.00 29 F 7.65 4.74 0.00 3.58 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 30 V 7.73 4.72 2.36 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 1.56 0.00 0.00 1.07 0.00 0.00 31 V 8.27 3.75 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 1.07 0.00 0.00 0.96 0.00 0.00 32 E 8.70 3.90 0.00 2.07 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 0.00 2.41 2.25 0.00 33 Q 8.01 4.30 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.19 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 34 K 7.81 3.84 0.00 1.82 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.49 7.81 35 C 8.52 4.66 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.77 0.00 2.26 2.11 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 37 Y 7.75 4.76 0.00 3.09 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 38 Q 8.08 3.99 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 39 E 7.72 3.43 0.00 1.60 1.76 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 2.28 2.31 0.00 40 V 7.60 3.91 2.10 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 0.81 0.00 0.00 0.85 0.00 0.00 41 D 8.07 4.55 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.15 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 0.00 0.00 0.00 43 L 7.70 4.54 0.00 1.64 1.74 0.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.08 4.65 0.00 2.69 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 45 L 7.63 4.63 0.00 1.59 1.64 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.98 4.56 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 0.97 0.00 0.00 47 G 8.21 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 48 D 10.10 5.11 0.00 2.88 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 49 T 8.07 4.24 4.31 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 1.32 0.00 0.00 50 H 9.71 5.38 0.00 3.25 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.35 5.08 0.00 3.21 3.59 0.00 5.60 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.87 5.32 0.00 1.84 1.65 1.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.24 3.80 -0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.63 5.14 0.00 3.18 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.22 4.53 0.00 1.78 1.74 0.00 3.25 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 57 D 9.82 4.22 0.00 2.87 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 58 G 8.29 4.15 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 0.00 59 Q 7.95 4.49 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 60 L 7.75 3.48 0.00 0.51 1.04 0.64 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.13 4.45 0.00 1.47 1.57 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.40 5.03 1.14 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 0.00 0.00 63 Y 9.13 5.19 0.00 3.01 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 64 L 7.28 4.75 0.00 1.75 1.66 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.75 4.84 0.00 2.08 1.98 0.00 3.11 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 66 L 8.62 5.23 0.00 1.86 1.84 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 L 9.00 4.92 0.00 1.38 1.42 0.97 0.61 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 68 D 8.61 3.55 0.00 2.75 2.89 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 69 P 0.00 4.50 0.00 2.08 2.04 0.00 2.61 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.45 0.00 70 V 7.68 3.60 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 0.76 0.00 0.00 0.93 0.00 0.00 71 R 8.04 4.13 0.00 1.92 1.68 0.00 3.11 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 72 H 7.86 4.71 0.00 3.16 3.07 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.93 3.47 0.00 1.91 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 2.17 2.28 0.00 74 G 8.38 3.88 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 0.00 0.00 0.00 75 Q 7.85 4.70 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 76 V 8.64 3.71 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 0.65 0.00 0.00 0.99 0.00 0.00 77 V 8.22 4.76 1.91 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 0.99 0.00 0.00 0.85 0.00 0.00 78 I 8.58 4.79 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.87 0.00 0.00 79 G 9.10 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 80 R 8.54 4.03 0.00 2.26 2.44 0.00 3.59 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 81 V 8.00 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 82 V 9.11 4.78 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 0.85 0.00 0.00 0.59 0.00 0.00 83 S 8.28 4.97 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 9.49 4.14 0.00 3.73 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 85 S 8.94 4.05 0.00 3.97 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 86 A 7.98 4.05 1.27 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 0.00 0.00 0.00 87 A 7.74 4.69 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 88 R 7.89 4.36 0.00 1.89 1.85 0.00 3.22 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 89 G 8.76 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 90 Q 7.98 4.45 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 91 G 8.22 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.15 4.27 0.00 1.77 1.85 0.95 1.05 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 93 G 8.17 3.78 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 0.00 0.00 0.00 94 H 8.11 5.06 0.00 3.39 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.01 4.16 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.73 0.00 96 L 8.16 3.97 0.00 1.96 1.76 1.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 8.04 4.34 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 99 R 7.79 3.89 0.00 1.63 1.77 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.00 100 A 8.46 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 0.00 101 L 7.97 4.01 0.00 1.85 1.81 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.10 3.99 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 103 A 8.29 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 0.00 104 A 8.40 4.34 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 0.00 105 E 8.26 3.89 0.00 2.17 2.24 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 2.31 2.36 0.00 106 R 7.75 3.84 0.00 1.95 1.98 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 107 L 7.89 3.68 0.00 0.27 0.13 -0.16 0.40 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 0.00 108 W 8.38 5.10 0.00 3.42 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 0.00 109 L 7.58 4.06 0.00 1.70 1.61 0.93 1.32 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 0.00 110 D 8.81 4.46 0.00 2.90 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 0.00 111 T 7.82 4.54 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 1.18 0.00 0.00 112 P 0.00 4.53 0.00 2.13 2.24 0.00 3.68 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 2.08 1.98 0.00 113 V 8.15 4.83 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 1.13 0.00 0.00 1.01 0.00 0.00 114 Y 9.50 5.27 0.00 3.03 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 0.00 115 L 7.09 4.78 0.00 1.40 1.43 -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.39 4.34 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.88 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.46 3.79 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 119 A 9.36 3.95 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 0.00 120 H 8.34 4.31 0.00 3.29 3.54 0.00 5.46 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 6.81 4.53 0.00 1.85 1.80 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 9.31 4.05 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 123 A 8.02 4.07 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 0.00 124 Y 8.13 3.97 0.00 2.86 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 0.00 125 Y 7.80 4.53 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.11 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 0.00 0.00 0.00 0.00 127 R 7.86 4.16 0.00 1.87 1.81 0.00 3.28 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 128 Y 8.85 4.25 0.00 3.46 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.25 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 0.00 0.00 0.00 130 F 8.13 4.67 0.00 3.14 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 0.00 131 V 8.53 4.91 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 0.80 0.00 0.00 0.97 0.00 0.00 132 A 8.80 4.36 1.27 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 0.00 0.00 0.00 133 V 9.36 4.44 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 0.86 0.00 0.00 1.21 0.00 0.00 134 T 7.56 4.75 4.42 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 1.38 0.00 0.00 135 E 8.53 4.40 0.00 1.98 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 2.30 2.38 0.00 136 V 8.06 4.09 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 0.77 0.00 0.00 0.87 0.00 0.00 137 Y 8.15 5.01 0.00 3.04 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 0.00 138 L 8.63 5.12 0.00 1.59 1.64 0.92 0.85 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 0.00 139 E 8.61 4.38 0.00 1.65 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 2.13 2.28 0.00 140 D 9.59 4.33 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.29 4.40 0.00 2.81 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 0.00 142 I 8.30 4.59 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.90 0.00 0.00 143 P 0.00 4.77 0.00 2.04 2.15 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 144 H 8.87 5.32 0.00 2.41 2.71 0.00 5.83 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.38 4.38 1.72 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 1.14 1.28 0.79 0.00 0.00 146 G 9.69 4.74 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 0.00 0.00 0.00 *148 R 8.25 4.90 0.00 2.21 2.42 0.00 3.01 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 149 R 8.75 4.58 0.00 0.67 0.86 0.00 2.43 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.00 150 A 8.59 4.10 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 * Residues marked with a * may have inaccurate shift predictions.