NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3114 8.1849 120.6284 54.5281 42.6520 176.3379 2 N 4.4720 8.6161 121.6884 51.9670 39.1843 173.3800 3 R 4.1319 9.0970 121.0763 55.8504 32.7495 176.4739 4 H 4.0547 8.2294 112.1715 56.4002 26.2200 174.6990 5 F 4.9064 7.3241 115.0965 58.3956 40.0820 174.3915 6 T 5.3626 8.9404 110.5777 60.2804 72.8817 172.7850 7 V 5.2588 8.7994 113.9248 59.9070 36.4023 175.0779 8 S 5.2538 9.3108 117.9143 56.8700 67.1179 173.5868 9 V 5.1563 9.1615 123.5088 60.1060 34.5152 174.2988 10 F 4.7291 9.5055 124.3898 56.0320 40.7063 174.6898 11 I 4.9260 8.3558 125.2335 59.7761 39.5033 174.7505 12 V 5.0874 9.2002 127.5706 61.3570 34.0426 173.8279 13 C 4.7200 9.0764 127.9963 57.6349 34.0121 174.4486 14 K 3.7093 8.7743 126.6761 58.1176 30.5601 176.2708 15 D 4.9990 8.9908 126.2286 54.8092 42.0866 174.4203 16 K 5.3271 8.6140 116.8935 54.7640 36.9415 175.7929 17 V 5.2449 9.2766 122.4783 60.1098 34.4200 174.1252 18 L 4.5618 8.6769 125.2600 53.8138 43.1272 175.6299 19 L 4.9788 8.6610 124.5531 53.3587 46.4442 174.8275 20 H 5.3782 8.9573 116.6374 53.6217 31.8055 172.5387 21 L 4.2039 8.7491 122.5886 54.9122 42.7774 177.1608 22 H 4.7768 8.4378 124.3902 53.9442 27.8537 175.4085 23 K 4.3575 8.0442 123.5061 58.9383 32.5075 176.6900 24 K 4.1330 7.8988 119.2637 57.3856 32.2703 176.3164 25 A 3.7404 9.0016 127.4691 51.5649 17.0277 179.2809 26 K 3.4021 8.5087 115.5541 58.1663 31.6273 175.0042 27 K 4.8064 8.0867 121.0701 56.8771 30.5221 174.3074 *29 L 4.4584 7.9772 117.6619 54.5937 43.4347 174.8881 30 P 4.4245 0.0000 0.0000 62.1246 32.5319 175.7554 31 L 3.9467 7.9546 119.9039 54.0457 42.8740 178.5317 32 G 3.7292 8.6104 107.3297 46.9022 0.0000 171.4761 33 G 3.7453 6.7920 106.5491 45.6620 0.0000 171.8089 34 H 4.9589 8.0958 117.0901 55.9729 29.7407 175.0547 35 I 4.4704 8.0274 121.5152 59.9763 38.5265 176.0486 36 E 4.2626 9.4777 126.7575 55.7452 30.8604 176.8094 37 V 3.7670 8.2987 121.7857 64.5873 31.9531 175.5210 38 N 4.3166 8.9649 122.6325 54.1725 35.6852 173.2102 39 E 4.6915 7.8052 117.9862 53.9075 32.1894 175.3078 40 L 4.2431 8.2097 125.3596 53.7582 43.8199 176.3005 41 P 4.2617 0.0000 0.0000 65.9271 31.4450 178.8477 42 E 3.3568 7.8537 115.6528 59.3246 29.3651 178.9447 43 E 3.9197 7.9208 118.7782 58.9218 29.5426 178.9172 44 A 4.2082 7.9849 122.4659 54.7003 18.3982 179.4677 45 C 4.0517 7.8741 115.2217 63.1186 28.2474 176.4550 46 I 3.7016 7.5489 121.0471 64.1566 36.5740 178.5291 47 R 3.8484 8.1424 119.6467 59.6771 29.5881 178.6006 48 E 3.9788 8.6784 118.2627 58.9500 29.4459 179.2554 49 A 4.0030 8.0023 121.4021 54.9106 18.4360 179.8595 50 K 4.1114 7.9089 116.6066 59.7203 32.0990 179.5674 51 E 4.0111 8.4289 118.9824 59.1434 29.2902 178.6501 52 E 4.3071 8.4420 116.4760 57.2939 30.1433 177.0349 53 A 4.5498 7.4494 118.1713 50.6909 21.4229 175.9528 54 G 4.1863 8.1681 103.8227 46.6516 0.0000 173.8664 55 L 4.8309 7.7298 117.4830 52.4594 44.6503 176.2284 56 N 4.7881 8.6389 119.8681 52.4193 39.6867 174.7029 57 V 4.8185 8.1142 114.5467 59.8998 36.5194 174.9074 58 T 4.6077 8.7712 117.5175 61.7382 71.4270 174.0607 59 L 4.6780 8.6390 126.9416 54.3935 42.7658 176.4743 60 Y 4.2009 8.9951 125.2538 58.2085 39.1736 176.0130 61 N 4.6000 8.2069 125.1413 50.7021 39.3663 169.6989 62 P 4.1086 0.0000 0.0000 61.8496 32.0601 176.9211 63 I 3.9045 8.0951 124.8161 60.6165 37.9426 176.2644 64 D 4.5736 8.3948 124.9783 52.6547 40.4384 176.4595 65 I 3.6331 8.1539 126.4025 64.7703 37.3333 177.3313 66 N 4.3512 8.1009 116.1674 56.2423 38.3242 177.1885 67 L 4.1506 7.8833 123.3211 57.0993 42.3170 178.8134 68 K 3.8860 8.4279 120.0997 59.3801 31.9400 178.9221 69 K 3.9520 7.7915 117.5309 59.5791 32.2290 179.1436 70 S 4.2552 8.0358 114.4735 61.6629 62.7076 176.2141 71 C 4.1071 8.3836 120.5155 62.8336 27.7242 175.9073 72 D 4.4795 7.8247 118.3351 56.6660 40.4336 177.9010 73 L 4.3945 7.6641 117.4299 55.2047 42.0924 177.1615 74 S 4.5362 8.1763 114.2368 57.8165 63.7868 174.8558 75 G 3.8717 8.4484 108.0617 45.5807 0.0000 172.5555 76 E 4.7870 7.8175 117.3704 53.9713 33.0397 175.0187 77 K 4.5331 8.1935 118.0544 54.5075 35.1300 175.9403 78 L 4.1956 8.4592 125.1909 54.2425 42.3841 176.3065 79 L 4.4928 8.0865 126.1860 52.9534 43.6621 175.8097 80 I 4.1008 8.1724 121.2532 61.1102 37.3363 176.0090 81 N 4.5482 8.5479 124.2839 52.2388 39.6486 172.9507 82 P 3.2425 0.0000 0.0000 62.3131 32.0841 176.5482 83 I 3.8106 8.2275 122.6370 64.3343 37.6179 175.9648 84 H 4.9707 7.5695 116.3360 54.7250 33.7193 172.7007 85 T 5.0155 8.4325 115.8567 62.0283 71.4273 173.6519 86 I 4.5919 8.7598 126.8725 59.2725 41.3679 174.2456 87 L 4.7710 8.4738 127.9056 54.0703 43.1464 175.5714 88 G 4.0496 8.7262 116.2604 45.5900 0.0000 169.4703 89 D 4.2473 7.9571 117.5489 52.4652 41.4816 173.4112 *95 S 4.2721 8.4705 113.1306 58.9301 63.0103 172.9659 96 H 4.8614 8.8858 121.9694 54.7298 32.4221 172.4347 97 I 4.5773 8.3905 120.2523 60.5506 38.7768 174.2175 98 D 5.3041 9.2268 126.8529 52.4231 44.0478 174.4316 99 F 4.9768 8.9221 125.1420 56.2331 40.8149 174.8354 100 V 4.8876 8.5643 124.7154 61.8265 33.2623 174.3206 101 Y 5.0094 9.4608 124.6437 56.4620 42.3462 173.9163 102 Y 5.8228 8.6293 118.0041 56.8961 41.9345 174.4357 103 A 5.2886 9.2732 123.1463 51.5241 23.7014 174.7924 104 T 5.5286 8.8918 108.3224 59.6814 72.3951 172.8832 105 T 5.0644 8.2850 115.5328 61.3986 70.3028 173.2342 106 T 4.2185 8.5607 113.6322 61.7788 70.0470 174.7163 107 S 4.5446 7.5230 115.1101 56.1097 65.3407 173.6253 108 F 4.1089 8.4022 123.9518 59.6820 39.1074 176.1396 109 E 4.1862 7.9989 122.5743 56.5180 29.7508 175.8000 110 T 4.9649 8.4352 115.5616 60.3886 72.0810 174.3069 111 S 4.5541 8.7783 118.8504 56.7729 63.9040 171.6118 112 P 4.5670 0.0000 0.0000 62.3360 32.2661 176.1453 113 E 4.4044 8.7223 122.0717 55.6079 30.6540 176.7299 114 I 3.7856 8.1549 121.5055 62.8062 37.6251 176.7280 115 G 3.9171 8.9466 110.5975 45.8266 0.0000 172.7592 116 E 4.7237 7.6646 117.9044 53.3568 32.8872 175.4241 117 S 4.1210 8.6580 118.8566 59.4180 63.1553 175.1084 118 K 4.1017 8.6123 123.6833 57.7679 32.6625 176.6280 119 I 4.2975 7.6048 120.1715 60.0143 38.1143 174.5789 120 L 5.2156 8.4032 126.8307 52.8732 44.5869 176.4531 121 K 4.5406 8.8987 121.0234 54.7118 36.8715 175.1490 122 W 5.2981 8.5605 123.5432 55.6692 30.9578 175.2421 123 Y 5.0383 9.5580 121.7309 56.3158 41.2300 175.8526 124 S 5.1043 8.7202 118.4725 56.4000 65.5600 175.3866 125 K 4.0363 8.6937 118.5754 59.4002 31.6015 179.2507 126 E 3.9290 8.1308 119.2354 59.4509 29.8578 178.2900 127 D 4.4916 8.1421 118.9303 57.4785 40.6488 178.9593 128 L 3.9515 7.9436 118.4880 57.7606 41.7487 179.2444 129 K 4.0670 7.8549 118.0957 59.1554 32.1929 177.8972 130 N 4.5576 8.0050 114.8277 53.3782 39.1398 175.5746 131 A 4.1715 7.1824 122.6756 52.7403 18.9242 176.9516 132 H 4.9421 8.6633 115.5443 55.6099 30.4349 174.6461 133 N 5.0917 7.9505 117.7163 52.5712 37.6854 173.8200 134 I 4.6543 7.6767 118.8929 60.0650 40.1605 176.5293 135 Q 4.1847 8.4733 124.3891 55.4277 30.6490 176.7690 136 E 3.9306 8.7940 123.5857 59.7069 29.4349 179.1837 137 N 4.3531 8.0577 115.3054 56.0222 37.4932 176.8486 138 I 4.0485 7.6657 120.9796 64.0427 37.5892 177.8399 139 L 4.1385 7.9704 120.0126 57.6194 41.4112 180.0109 140 V 3.6838 7.9351 115.3185 63.3523 31.0648 177.1751 *142 A 4.0221 7.9636 122.3393 51.8358 20.2786 179.9382 143 T 3.8581 7.7580 106.6407 64.8485 68.7006 176.8527 144 E 3.8998 8.0069 121.2183 58.9121 29.4844 179.0176 145 A 3.3038 7.0055 120.1718 54.8488 18.2996 179.4877 146 L 3.8747 7.5877 117.2422 58.2065 41.5422 179.5420 147 D 4.3454 8.1676 117.6847 57.2013 40.7648 178.3837 148 L 4.0613 8.0112 120.3262 57.2843 42.2976 177.9665 149 L 4.5810 8.0392 116.4760 54.5683 42.7686 176.3150 150 E 4.5787 8.3302 121.6706 55.9783 29.5576 176.6048 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 L 8.18 4.31 0.00 1.65 1.69 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.62 4.47 0.00 2.74 2.61 0.00 0.00 6.96 6.78 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 3 R 9.10 4.13 0.00 1.62 1.53 0.00 3.02 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 4 H 8.23 4.05 0.00 3.23 3.39 0.00 5.96 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 5 F 7.32 4.91 0.00 3.22 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 6 T 8.94 5.36 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 1.08 0.00 0.00 7 V 8.80 5.26 2.29 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 1.13 0.00 0.00 1.06 0.00 0.00 8 S 9.31 5.25 0.00 3.94 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 9 V 9.16 5.16 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 0.87 0.00 0.00 1.06 0.00 0.00 10 F 9.51 4.73 0.00 3.03 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 11 I 8.36 4.93 1.90 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 1.31 0.84 1.13 0.00 0.00 12 V 9.20 5.09 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 0.99 0.00 0.00 0.99 0.00 0.00 13 C 9.08 4.72 0.00 2.43 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 14 K 8.77 3.71 0.00 1.98 0.97 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.28 1.02 7.81 15 D 8.99 5.00 0.00 2.62 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 16 K 8.61 5.33 0.00 2.05 2.18 0.00 1.28 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 V 9.28 5.24 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 1.03 0.00 0.00 1.14 0.00 0.00 18 L 8.68 4.56 0.00 0.27 1.10 -0.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.66 4.98 0.00 1.71 1.51 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.96 5.38 0.00 3.13 3.10 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.75 4.20 0.00 1.63 1.59 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.44 4.78 0.00 3.30 3.32 0.00 5.75 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 23 K 8.04 4.36 0.00 1.83 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.48 7.81 24 K 7.90 4.13 0.00 1.70 1.71 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.37 7.81 25 A 9.00 3.74 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 26 K 8.51 3.40 0.00 1.92 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81 27 K 8.09 4.81 0.00 2.01 1.90 0.00 1.99 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.61 7.81 *29 L 7.98 4.46 0.00 1.58 1.56 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.42 0.00 1.26 0.49 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 31 L 7.95 3.95 0.00 1.44 1.63 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.61 3.73 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 0.00 0.00 0.00 33 G 6.79 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 0.00 0.00 0.00 34 H 8.10 4.96 0.00 3.09 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.03 4.47 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 1.02 0.00 0.00 36 E 9.48 4.26 0.00 1.93 1.88 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 2.35 2.53 0.00 37 V 8.30 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 38 N 8.96 4.32 0.00 2.93 2.92 0.00 0.00 6.77 7.66 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 39 E 7.81 4.69 0.00 1.99 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 2.18 2.22 0.00 40 L 8.21 4.24 0.00 1.67 1.48 0.87 1.04 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 41 P 0.00 4.26 0.00 2.05 2.17 0.00 3.45 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.04 0.00 42 E 7.85 3.36 0.00 1.92 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 2.22 2.28 0.00 43 E 7.92 3.92 0.00 2.14 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 2.34 2.28 0.00 44 A 7.98 4.21 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 45 C 7.87 4.05 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.55 3.70 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.90 0.00 0.00 47 R 8.14 3.85 0.00 2.02 2.09 0.00 3.18 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 48 E 8.68 3.98 0.00 2.18 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 2.69 2.33 0.00 49 A 8.00 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.91 4.11 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.76 7.81 51 E 8.43 4.01 0.00 2.01 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 2.33 2.62 0.00 52 E 8.44 4.31 0.00 1.89 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 2.47 2.49 0.00 53 A 7.45 4.55 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 54 G 8.17 4.19 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 0.00 55 L 7.73 4.83 0.00 1.69 1.62 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.64 4.79 0.00 2.72 2.75 0.00 0.00 6.77 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 57 V 8.11 4.82 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 0.78 0.00 0.00 0.96 0.00 0.00 58 T 8.77 4.61 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 59 L 8.64 4.68 0.00 1.56 1.71 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.00 4.20 0.00 3.00 3.12 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 61 N 8.21 4.60 0.00 2.57 2.55 0.00 0.00 7.26 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.11 0.00 2.10 1.78 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 63 I 8.10 3.90 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.91 0.00 0.00 64 D 8.39 4.57 0.00 2.68 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 65 I 8.15 3.63 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.90 0.00 0.00 66 N 8.10 4.35 0.00 2.72 2.86 0.00 0.00 6.62 6.74 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 67 L 7.88 4.15 0.00 1.75 1.77 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.43 3.89 0.00 1.80 1.92 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 69 K 7.79 3.95 0.00 1.77 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 70 S 8.04 4.26 0.00 4.06 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 71 C 8.38 4.11 0.00 3.20 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 72 D 7.82 4.48 0.00 2.83 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 73 L 7.66 4.39 0.00 1.82 1.70 0.91 0.60 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 74 S 8.18 4.54 0.00 3.87 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 75 G 8.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.82 4.79 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 77 K 8.19 4.53 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.30 7.81 78 L 8.46 4.20 0.00 1.56 1.55 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.09 4.49 0.00 1.63 1.83 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.17 4.10 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 1.07 0.00 0.00 81 N 8.55 4.55 0.00 2.64 2.66 0.00 0.00 7.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 3.24 0.00 1.88 1.50 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 83 I 8.23 3.81 1.15 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 0.84 -0.31 0.26 0.00 0.00 84 H 7.57 4.97 0.00 2.96 3.05 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.43 5.02 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 1.17 0.00 0.00 86 I 8.76 4.59 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.89 0.00 0.00 87 L 8.47 4.77 0.00 1.61 1.55 0.93 0.95 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 88 G 8.73 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.96 4.25 0.00 2.75 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 *95 S 8.47 4.27 0.00 3.85 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 96 H 8.89 4.86 0.00 3.21 3.35 0.00 5.50 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.39 4.58 2.23 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.40 0.00 0.00 98 D 9.23 5.30 0.00 2.77 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 0.00 0.00 0.00 0.00 99 F 8.92 4.98 0.00 3.22 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 0.00 100 V 8.56 4.89 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 1.22 0.00 0.00 1.10 0.00 0.00 101 Y 9.46 5.01 0.00 2.94 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 0.00 102 Y 8.63 5.82 0.00 2.88 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 0.00 103 A 9.27 5.29 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 0.00 104 T 8.89 5.53 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 1.29 0.00 0.00 105 T 8.29 5.06 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 106 T 8.56 4.22 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 1.18 0.00 0.00 107 S 7.52 4.54 0.00 3.75 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 0.00 108 F 8.40 4.11 0.00 2.94 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 0.00 109 E 8.00 4.19 0.00 1.96 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 2.39 2.33 0.00 110 T 8.44 4.96 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 111 S 8.78 4.55 0.00 3.88 3.80 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 0.00 112 P 0.00 4.57 0.00 2.12 2.21 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 113 E 8.72 4.40 0.00 1.94 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 2.35 2.43 0.00 114 I 8.15 3.79 1.88 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 1.35 0.74 0.92 0.00 0.00 115 G 8.95 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 0.00 116 E 7.66 4.72 0.00 1.99 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 2.34 2.38 0.00 117 S 8.66 4.12 0.00 3.75 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 0.00 118 K 8.61 4.10 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 119 I 7.60 4.30 1.86 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 1.34 0.95 0.91 0.00 0.00 120 L 8.40 5.22 0.00 1.44 1.38 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.90 4.54 0.00 1.59 1.15 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.39 7.81 122 W 8.56 5.30 0.00 2.99 3.10 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 0.00 123 Y 9.56 5.04 0.00 2.86 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 0.00 124 S 8.72 5.10 0.00 3.92 4.05 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 0.00 0.00 0.00 125 K 8.69 4.04 0.00 1.84 1.92 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 126 E 8.13 3.93 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 2.40 2.41 0.00 127 D 8.14 4.49 0.00 3.25 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 0.00 128 L 7.94 3.95 0.00 1.84 1.69 0.92 0.44 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 0.00 129 K 7.85 4.07 0.00 1.79 2.01 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 130 N 8.00 4.56 0.00 2.77 2.84 0.00 0.00 6.98 6.93 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 0.00 131 A 7.18 4.17 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 0.00 132 H 8.66 4.94 0.00 3.13 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.95 5.09 0.00 2.91 3.00 0.00 0.00 6.01 7.57 0.00 0.00 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 I 7.68 4.65 1.78 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.82 0.00 0.00 135 Q 8.47 4.18 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 136 E 8.79 3.93 0.00 2.06 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 2.37 2.43 0.00 137 N 8.06 4.35 0.00 2.92 2.94 0.00 0.00 6.04 7.81 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 0.00 138 I 7.67 4.05 2.05 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 1.69 0.85 1.05 0.00 0.00 139 L 7.97 4.14 0.00 1.88 1.67 1.01 0.61 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 0.00 140 V 7.94 3.68 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 1.08 0.00 0.00 0.95 0.00 0.00 *142 A 7.96 4.02 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 0.00 143 T 7.76 3.86 4.18 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 1.23 0.00 0.00 144 E 8.01 3.90 0.00 1.87 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 0.00 2.30 2.60 0.00 145 A 7.01 3.30 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.59 3.87 0.00 1.98 1.70 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.17 4.35 0.00 2.66 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 0.00 148 L 8.01 4.06 0.00 1.57 1.78 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.04 4.58 0.00 1.76 1.70 0.80 1.12 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 0.00 150 E 8.33 4.58 0.00 2.34 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 2.41 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.