NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7317 8.4249 118.1259 52.8428 38.8411 173.1876 3 T 3.5471 8.1275 119.2057 62.4290 69.1170 172.1619 4 K 4.3966 8.9632 127.8215 54.8514 34.5841 174.5857 5 Y 4.8198 8.7245 124.6088 56.0975 39.9413 176.1370 6 N 4.6409 8.6071 121.7955 52.7028 39.5572 176.2897 7 K 3.8803 8.5873 123.1142 59.7772 32.5181 179.1602 8 E 3.8874 8.1217 118.5050 59.0900 29.4020 178.6822 9 F 4.2210 8.5650 120.8160 61.6272 39.3601 177.3421 10 L 3.6654 7.9478 118.3133 57.3124 41.3828 179.5620 11 L 3.6461 7.6709 119.2021 57.7780 41.5946 178.8795 12 Y 3.8892 7.7718 119.1803 60.6089 38.8110 177.6568 13 L 3.9553 8.0215 121.1221 58.0641 41.9877 178.6932 14 A 4.0934 8.2178 121.0241 55.1310 18.4342 179.7650 15 G 3.4549 7.7705 103.6533 47.9749 0.0000 175.7175 16 F 3.7548 7.9361 123.2984 60.5857 39.3415 177.4811 17 V 3.6595 8.4762 118.2663 66.3142 31.2470 177.6746 18 D 4.3387 8.1478 117.1378 57.3512 40.6051 178.2589 19 A 4.1187 7.4135 120.0704 53.7134 19.1677 178.2627 20 D 4.6329 8.4469 114.7754 53.3228 41.4648 176.4550 21 G 4.2147 7.5844 107.5687 44.9805 0.0000 173.1792 22 S 4.6638 8.6493 113.3671 57.0166 66.2643 172.9340 23 I 4.8116 8.5465 127.9880 60.0317 38.5267 174.7775 24 I 4.5910 9.0745 129.0378 59.2425 39.6641 174.7946 25 A 5.2534 8.7081 128.2205 50.2474 21.4434 175.0882 26 Q 4.7027 9.5449 120.7262 54.0848 33.4653 174.2902 27 I 4.9045 8.5320 124.3943 60.2610 39.5496 175.4272 28 E 4.7796 9.1659 125.1474 53.7611 32.9340 170.5170 29 P 4.5607 0.0000 0.0000 62.5975 32.5203 175.7487 30 N 4.3838 9.3774 120.4482 53.2078 41.8661 175.3084 31 Q 4.0396 9.0361 126.9460 58.6189 29.0756 177.6415 32 S 4.3222 8.0674 110.8195 59.3050 63.8106 174.7207 33 S 4.3612 7.7276 117.9806 57.5089 63.6012 174.9064 34 K 3.4855 8.4149 123.8753 59.3227 31.3846 177.9875 35 F 4.7666 7.2928 115.2803 57.0560 39.2611 176.7514 36 K 4.1343 8.4687 117.9988 57.2586 30.0478 174.7514 37 H 5.6095 7.6933 113.6230 54.6527 33.2294 172.7103 38 R 5.0039 9.2579 116.1199 54.7653 33.3146 173.8306 39 L 5.1770 8.6772 119.3726 53.5606 43.7154 176.2540 40 K 4.7645 9.0257 121.3449 54.5948 35.9354 175.1450 41 L 5.3231 8.6742 123.5356 53.3297 44.8614 176.1036 42 T 4.8634 9.2034 119.9832 61.8833 73.1537 172.4728 43 F 5.3276 9.1192 128.4642 56.8746 41.4715 174.2574 44 Q 4.7365 8.1036 126.1235 54.2627 33.0084 173.5830 45 V 4.5211 8.6206 124.7422 61.5124 34.5554 174.2346 46 T 5.0013 8.1485 124.7725 62.5484 70.4883 174.0217 47 Q 4.5802 9.1452 124.4172 54.4925 33.2184 173.4505 48 K 4.1632 8.8623 125.5556 57.2480 32.8067 177.6765 49 T 3.9545 8.7619 122.1730 66.4584 68.5863 176.6271 50 Q 4.1198 8.2146 118.3756 58.4262 28.8200 177.2234 51 R 4.7003 8.1571 117.7640 55.8690 30.6411 177.9030 52 R 3.9380 8.1704 122.0460 59.1677 29.7700 178.0439 53 W 4.3874 8.4776 116.3247 59.7980 27.7399 177.9405 54 F 3.1661 7.0687 121.1425 60.6664 38.6757 177.2179 55 L 3.9822 7.6868 118.2371 57.7267 41.4328 178.9128 56 D 4.4247 8.5053 119.3654 57.3473 40.7960 178.8110 57 K 3.9521 8.2738 120.1857 59.2094 32.1458 178.6357 58 L 3.7459 7.5073 120.8170 57.8687 41.9398 179.0047 59 V 3.6462 7.7083 118.2134 66.1021 31.2360 177.3810 60 D 4.3393 7.6137 116.1811 57.5627 41.1128 177.8929 61 E 3.9475 7.7966 117.7793 59.3262 29.5463 179.0346 62 I 3.9679 7.9909 119.5412 62.2993 37.2590 177.4997 63 G 4.0590 10.3832 106.9138 45.0775 0.0000 172.9490 64 V 4.3304 7.4870 116.5766 61.2955 33.8227 173.6448 65 G 3.7058 10.6427 106.8776 46.4721 0.0000 171.3932 66 Y 4.8506 6.9965 114.4019 56.2828 41.6545 173.4632 67 V 4.9384 8.5844 119.5691 61.2355 34.0106 174.7694 68 R 4.8766 9.0637 128.1548 55.1145 34.0577 174.9791 *69 D 4.9695 8.7510 121.2294 52.4792 41.7294 176.4675 70 S 4.7557 8.8878 119.3610 56.6662 64.2577 176.4931 71 G 4.0340 8.7497 112.1089 46.4849 0.0000 172.6121 72 S 4.2161 9.1376 116.4572 60.4159 63.8236 172.9363 73 V 5.0866 7.7357 111.2837 59.5780 35.8872 174.9124 74 S 5.2341 9.3371 117.2552 57.0092 67.3228 173.0219 75 N 5.4684 8.9971 117.9312 51.7236 42.9867 173.2586 76 Y 4.6360 8.9379 124.7927 57.3196 40.5431 174.1186 77 I 4.3071 7.4485 126.8907 59.0599 41.1774 174.0912 78 L 4.7161 8.8607 128.3840 53.5898 44.2380 176.8986 79 S 4.6615 8.8443 120.7347 58.7473 65.8768 175.0639 80 E 3.9789 8.3267 120.5464 56.6998 30.2256 177.3273 81 I 3.7807 8.4769 127.1955 64.5005 37.3722 178.6252 82 K 4.0429 8.0368 118.9302 59.0434 32.0295 177.6404 83 P 4.4021 0.0000 0.0000 65.6140 31.0989 178.1719 84 L 4.0677 8.2543 120.4783 58.2560 42.0319 178.3113 85 H 4.0876 8.6290 118.5037 59.3580 29.3091 176.6876 86 N 4.3854 8.4700 118.8288 56.6221 38.8170 176.6068 87 F 4.4284 8.6211 122.0591 61.5974 39.5759 177.2557 88 L 3.5820 8.2906 118.8564 57.7537 41.0886 179.5297 89 T 3.7334 7.6744 115.1724 66.8452 68.4573 176.1213 90 Q 4.1844 7.5125 117.6629 58.2293 29.0853 177.8357 91 L 4.1104 7.6124 121.8903 57.7170 41.9930 178.6936 92 Q 3.8696 8.0578 117.8351 58.8390 28.0919 176.9489 93 P 4.0041 0.0000 0.0000 64.3833 31.2914 176.7853 94 F 4.7386 7.6717 114.3966 57.2696 39.9732 176.2751 95 L 4.2974 7.2959 120.8410 54.5946 42.0005 176.8928 96 K 4.4712 9.4990 119.9083 56.7522 34.6049 177.4633 97 L 4.4601 8.3585 116.4190 55.0712 43.0903 177.2148 98 K 5.1257 7.9310 115.2706 55.0057 33.2134 177.6269 99 Q 3.9167 8.1685 122.3627 59.2973 28.8126 178.4654 100 K 3.9155 7.9423 118.8815 59.5540 32.2701 179.0744 101 Q 3.9693 8.0962 117.5499 59.0199 28.5983 178.7593 102 A 4.0302 8.0785 121.6334 55.2855 18.3374 179.5056 103 N 4.2214 8.3169 115.0621 56.1712 38.5530 177.6039 104 L 3.8174 8.0840 120.7217 57.7621 41.6456 179.6513 105 V 3.6577 7.9949 118.1640 66.1091 31.4643 178.0368 106 L 4.0123 8.1507 118.8416 57.5677 41.2078 179.3857 107 K 3.8354 7.9519 118.6306 59.5240 32.4106 178.3297 108 I 4.2474 8.2747 120.4468 64.8952 37.0794 178.4274 109 I 3.8161 8.0725 120.5353 64.5808 36.7364 178.4596 110 E 4.1092 8.3664 118.2258 58.6907 29.6252 178.3561 111 Q 4.5063 8.0683 116.4183 55.7988 28.7773 177.2890 112 L 4.0563 7.5957 121.3319 57.6524 41.5523 177.2512 113 P 4.3314 0.0000 0.0000 65.9798 31.1234 178.4843 114 S 4.3508 8.1601 111.2677 60.7084 63.3396 175.9891 115 A 4.1330 8.1261 125.0227 54.7312 17.9204 178.7503 116 K 4.4853 7.7623 113.8808 56.9594 32.5802 177.1484 117 E 4.6985 7.8942 115.3831 55.9931 30.9683 176.7078 118 S 4.7472 7.9835 116.0042 55.6446 67.4545 173.0542 119 P 3.3092 0.0000 0.0000 65.1141 31.2567 178.2894 120 D 4.2670 7.8543 118.6501 55.7300 39.6947 178.3517 121 K 3.8047 7.8761 120.7604 59.0234 32.1481 178.2454 122 F 3.9947 8.4547 121.3603 61.3386 39.2516 176.8473 123 L 3.6799 7.7956 118.4837 57.8512 41.1990 179.2475 124 E 3.5434 7.5441 117.6587 59.1618 29.9401 178.7137 125 V 2.3636 6.9568 118.0618 65.7097 31.4453 177.7911 126 C 3.9180 7.6135 116.9721 62.7222 27.8301 176.1456 127 T 4.1527 7.5384 112.8079 63.9658 68.2393 176.6957 128 W 4.4489 7.5379 121.5943 59.4935 29.0286 178.5772 129 V 3.6548 7.8100 117.9440 66.0576 30.9339 177.4754 130 D 4.3931 8.0715 118.6142 57.6934 40.8053 178.9748 131 Q 4.1286 8.1055 118.3358 58.8590 28.6968 178.7479 132 I 3.6800 7.9452 120.6073 64.5973 37.0181 178.3472 133 A 4.0258 7.8886 119.6309 55.1073 18.2337 179.2176 134 A 4.0807 8.0470 118.7097 55.2431 18.4790 179.5389 135 L 4.1379 7.6039 116.5730 56.7639 41.9405 177.4419 136 N 4.6601 7.6368 115.5369 52.8425 39.7318 175.5776 137 D 4.6341 8.1179 120.2579 53.3598 39.3694 176.4544 138 S 4.3901 7.6277 114.4408 57.9952 63.5939 173.7237 139 K 4.6244 8.5554 123.6485 56.0421 34.5199 176.9807 140 T 4.6005 7.8238 106.8737 60.9802 69.2348 173.7306 141 R 4.2101 7.9708 121.4252 56.7517 30.9560 175.0404 142 K 4.3788 8.6434 121.3743 58.0991 34.4168 176.5682 143 T 4.3846 7.8282 114.5599 62.5753 69.5580 174.6396 144 T 4.7314 8.3970 116.7052 59.1146 73.2326 174.9181 145 S 4.0692 8.8517 115.3222 61.3188 62.7127 176.1088 146 E 3.9028 8.1030 122.9093 59.0408 29.1947 178.5103 147 T 3.8585 7.9301 115.6176 66.7003 68.5279 176.1981 148 V 3.5064 7.5013 119.2433 66.0622 31.3487 177.8073 149 R 3.8346 7.9150 116.8249 59.4570 29.9183 177.7163 150 A 4.1455 7.9041 119.3121 55.5242 18.4716 179.7298 151 V 4.0320 7.3002 109.1053 62.5176 31.8143 176.6376 152 L 4.2709 7.5670 118.9386 54.5056 41.2827 176.7295 153 D 4.3959 8.4385 122.9509 54.4915 41.8608 175.6453 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 N 8.42 4.73 0.00 2.71 2.87 0.00 0.00 6.96 6.65 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 3 T 8.13 3.55 3.84 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 0.82 0.00 0.00 4 K 8.96 4.40 0.00 1.61 1.60 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.48 7.81 5 Y 8.72 4.82 0.00 3.24 3.20 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 6 N 8.61 4.64 0.00 3.04 2.99 0.00 0.00 5.88 6.52 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 7 K 8.59 3.88 0.00 1.88 1.83 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.31 1.27 7.81 8 E 8.12 3.89 0.00 2.08 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 2.38 2.36 0.00 9 F 8.57 4.22 0.00 3.09 3.37 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 10 L 7.95 3.67 0.00 1.61 1.68 1.26 0.65 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 11 L 7.67 3.65 0.00 1.67 1.59 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.77 3.89 0.00 3.16 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 13 L 8.02 3.96 0.00 1.31 1.28 1.00 0.70 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 14 A 8.22 4.09 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 15 G 7.77 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 0.00 0.00 0.00 0.00 16 F 7.94 3.75 0.00 2.88 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 17 V 8.48 3.66 2.38 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 1.22 0.00 0.00 1.39 0.00 0.00 18 D 8.15 4.34 0.00 2.85 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 19 A 7.41 4.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.45 4.63 0.00 1.93 2.48 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 0.00 0.00 0.00 0.00 21 G 7.58 4.21 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 0.00 22 S 8.65 4.66 0.00 3.80 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 23 I 8.55 4.81 1.95 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 1.69 0.96 1.01 0.00 0.00 24 I 9.07 4.59 1.89 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 1.16 0.82 0.92 0.00 0.00 25 A 8.71 5.25 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 26 Q 9.54 4.70 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 I 8.53 4.90 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.94 0.00 0.00 28 E 9.17 4.78 0.00 1.60 1.78 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 2.12 2.11 0.00 29 P 0.00 4.56 0.00 1.94 2.05 0.00 3.73 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 2.08 2.21 0.00 30 N 9.38 4.38 0.00 2.67 2.63 0.00 0.00 6.93 5.12 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 31 Q 9.04 4.04 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 32 S 8.07 4.32 0.00 3.96 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 33 S 7.73 4.36 0.00 3.92 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 34 K 8.41 3.49 0.00 1.29 1.04 0.00 0.85 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.98 7.81 35 F 7.29 4.77 0.00 2.32 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 36 K 8.47 4.13 0.00 2.02 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 37 H 7.69 5.61 0.00 3.35 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.26 5.00 0.00 1.94 2.03 0.00 2.87 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 39 L 8.68 5.18 0.00 1.64 1.67 0.87 0.78 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 40 K 9.03 4.76 0.00 1.70 1.70 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 41 L 8.67 5.32 0.00 1.56 1.62 1.01 0.89 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 42 T 9.20 4.86 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 1.17 0.00 0.00 43 F 9.12 5.33 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.10 4.74 0.00 1.98 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 45 V 8.62 4.52 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 1.28 0.00 0.00 0.83 0.00 0.00 46 T 8.15 5.00 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 1.19 0.00 0.00 47 Q 9.15 4.58 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 48 K 8.86 4.16 0.00 1.82 1.70 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.51 7.81 49 T 8.76 3.95 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 1.25 0.00 0.00 50 Q 8.21 4.12 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.44 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 51 R 8.16 4.70 0.00 1.90 1.67 0.00 3.02 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 52 R 8.17 3.94 0.00 2.09 2.03 0.00 3.18 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 53 W 8.48 4.39 0.00 3.68 3.38 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 54 F 7.07 3.17 0.00 1.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.98 0.00 1.90 1.79 1.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.51 4.42 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.27 3.95 0.00 1.93 1.80 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.37 7.81 58 L 7.51 3.75 0.00 1.69 1.32 0.53 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.71 3.65 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 0.96 0.00 0.00 1.19 0.00 0.00 60 D 7.61 4.34 0.00 2.65 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 61 E 7.80 3.95 0.00 1.96 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 2.13 2.38 0.00 62 I 7.99 3.97 1.78 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.72 0.00 0.00 63 G 10.38 4.06 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 0.00 0.00 0.00 64 V 7.49 4.33 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 0.76 0.00 0.00 1.01 0.00 0.00 65 G 10.64 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 66 Y 7.00 4.85 0.00 3.02 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 67 V 8.58 4.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.13 0.00 0.00 68 R 9.06 4.88 0.00 1.85 1.82 0.00 3.27 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 *69 D 8.75 4.97 0.00 2.69 2.44 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 0.00 0.00 0.00 0.00 70 S 8.89 4.76 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.75 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 72 S 9.14 4.22 0.00 3.87 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 73 V 7.74 5.09 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 0.64 0.00 0.00 0.93 0.00 0.00 74 S 9.34 5.23 0.00 3.70 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 75 N 9.00 5.47 0.00 2.60 2.55 0.00 0.00 7.01 8.34 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 76 Y 8.94 4.64 0.00 3.07 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 77 I 7.45 4.31 0.59 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 0.90 0.76 0.65 0.00 0.00 78 L 8.86 4.72 0.00 1.63 1.67 0.96 0.56 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 79 S 8.84 4.66 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.33 3.98 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 81 I 8.48 3.78 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 0.98 0.00 0.00 82 K 8.04 4.04 0.00 1.85 1.90 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.54 7.81 83 P 0.00 4.40 0.00 2.37 2.40 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.09 0.00 84 L 8.25 4.07 0.00 1.98 2.03 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.63 4.09 0.00 3.40 3.52 0.00 5.64 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 86 N 8.47 4.39 0.00 2.99 3.11 0.00 0.00 6.92 7.31 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 87 F 8.62 4.43 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 88 L 8.29 3.58 0.00 1.64 1.58 0.98 0.65 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 89 T 7.67 3.73 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 90 Q 7.51 4.18 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 91 L 7.61 4.11 0.00 0.96 1.10 0.75 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.06 3.87 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 93 P 0.00 4.00 0.00 0.75 1.67 0.00 3.45 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 94 F 7.67 4.74 0.00 3.09 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 95 L 7.30 4.30 0.00 1.56 1.63 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.50 4.47 0.00 1.74 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.37 7.81 97 L 8.36 4.46 0.00 1.75 1.68 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.93 5.13 0.00 1.93 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.34 1.28 7.81 99 Q 8.17 3.92 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 100 K 7.94 3.92 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.49 7.81 101 Q 8.10 3.97 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 102 A 8.08 4.03 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 0.00 103 N 8.32 4.22 0.00 2.80 2.78 0.00 0.00 7.03 6.33 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 0.00 104 L 8.08 3.82 0.00 1.81 1.74 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.99 3.66 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 1.19 0.00 0.00 1.06 0.00 0.00 106 L 8.15 4.01 0.00 1.84 1.67 0.82 0.86 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 0.00 107 K 7.95 3.84 0.00 1.63 1.69 0.00 1.26 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 1.08 7.81 108 I 8.27 4.25 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.07 1.02 0.00 0.00 109 I 8.07 3.82 2.15 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 1.62 1.45 0.98 0.00 0.00 110 E 8.37 4.11 0.00 2.08 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 2.37 2.39 0.00 111 Q 8.07 4.51 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.78 3.06 0.00 112 L 7.60 4.06 0.00 1.87 1.82 1.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.33 0.00 2.06 2.18 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 114 S 8.16 4.35 0.00 4.09 4.17 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 0.00 115 A 8.13 4.13 1.56 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 0.00 0.00 116 K 7.76 4.49 0.00 1.84 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 117 E 7.89 4.70 0.00 2.12 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 2.39 2.29 0.00 118 S 7.98 4.75 0.00 3.95 3.75 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 0.00 119 P 0.00 3.31 0.00 2.02 1.90 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 120 D 7.85 4.27 0.00 2.82 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 0.00 121 K 7.88 3.80 0.00 1.86 1.97 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.54 7.81 122 F 8.45 3.99 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 0.00 123 L 7.80 3.68 0.00 1.79 1.56 0.86 0.70 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 0.00 124 E 7.54 3.54 0.00 1.74 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 1.47 2.06 0.00 125 V 6.96 2.36 1.77 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 0.86 0.00 0.00 0.48 0.00 0.00 126 C 7.61 3.92 0.00 2.83 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 0.00 127 T 7.54 4.15 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 1.12 0.00 0.00 128 W 7.54 4.45 0.00 3.59 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 0.00 129 V 7.81 3.65 2.23 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 1.07 0.00 0.00 0.91 0.00 0.00 130 D 8.07 4.39 0.00 3.02 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 0.00 131 Q 8.11 4.13 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 132 I 7.95 3.68 2.08 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 0.96 0.94 0.00 0.00 133 A 7.89 4.03 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 0.00 134 A 8.05 4.08 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 0.00 135 L 7.60 4.14 0.00 1.83 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 N 7.64 4.66 0.00 2.88 2.77 0.00 0.00 7.04 7.72 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 0.00 137 D 8.12 4.63 0.00 2.65 2.62 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 0.00 138 S 7.63 4.39 0.00 3.97 3.76 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 0.00 139 K 8.56 4.62 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.59 7.81 140 T 7.82 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 141 R 7.97 4.21 0.00 1.80 1.86 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 142 K 8.64 4.38 0.00 1.75 1.79 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.42 7.81 143 T 7.83 4.38 4.44 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 0.00 0.00 0.00 1.28 0.00 0.00 144 T 8.40 4.73 4.35 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 1.25 0.00 0.00 145 S 8.85 4.07 0.00 3.96 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 0.00 146 E 8.10 3.90 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 2.28 2.48 0.00 147 T 7.93 3.86 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 1.25 0.00 0.00 148 V 7.50 3.51 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 1.15 0.00 0.00 0.77 0.00 0.00 149 R 7.91 3.83 0.00 1.79 2.14 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 150 A 7.90 4.15 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 0.00 151 V 7.30 4.03 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 0.87 0.00 0.00 1.23 0.00 0.00 152 L 7.57 4.27 0.00 1.67 1.65 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.44 4.40 0.00 2.61 2.50 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 * Residues marked with a * may have inaccurate shift predictions.