NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4146 8.2644 123.5825 52.1396 21.1775 176.0584 2 K 4.3334 8.1225 124.0622 53.8701 30.4465 180.1524 3 K 3.8614 8.9139 120.0469 57.7569 31.9483 173.4108 4 V 4.1410 7.6871 115.2932 62.2386 32.7511 169.9688 5 Q 4.4935 8.0946 117.0805 55.9566 31.2196 174.3390 6 A 4.6876 8.2448 126.7385 51.0341 17.7458 178.2107 7 Y 3.8199 8.4340 109.9105 59.8561 36.2550 169.1815 8 V 4.1540 8.0920 117.0165 60.0896 34.3891 175.6841 9 K 4.9029 8.0041 120.3389 54.9343 35.8830 175.7961 10 L 4.3784 8.6451 122.1802 55.0714 44.2307 174.2516 11 Q 4.8336 8.7178 120.3577 54.5011 29.5214 175.0120 12 V 4.5328 7.9893 123.4006 59.1044 34.5312 175.2935 13 A 3.8585 8.8059 123.9601 52.4498 18.5524 176.4466 14 A 3.8779 8.3682 118.5592 53.4300 19.1187 179.2641 15 G 3.9311 7.3196 107.5144 41.0000 0.0000 172.0612 16 M 4.1205 7.5671 115.0763 55.4741 35.3708 173.5226 17 A 4.2665 8.5518 126.7553 52.2057 21.8350 174.1676 18 N 4.6221 9.4541 116.8320 53.5358 37.7887 173.2851 19 P 4.2581 0.0000 0.0000 62.9116 31.9707 176.6824 20 S 4.0157 8.6589 117.1215 61.1851 62.7475 173.5403 21 P 4.3870 0.0000 0.0000 65.3661 31.2957 176.1800 22 P 4.4440 0.0000 0.0000 65.2838 32.9504 177.3029 23 V 4.2088 7.6147 113.4780 61.4662 32.4005 181.0943 24 G 3.8563 9.3584 108.8569 45.2802 0.0000 173.1321 25 P 4.0934 0.0000 0.0000 65.9445 30.9911 175.9554 26 A 3.8874 7.7656 117.9948 55.2940 18.3572 178.8290 27 L 4.2529 7.5489 115.6610 56.6211 41.3024 178.8638 28 G 3.6145 8.1018 107.6483 47.8541 0.0000 175.7085 29 Q 3.9445 7.4955 119.5544 59.1510 28.9739 178.5790 30 Q 4.1340 7.6821 118.9649 57.4347 28.3289 178.1793 31 G 4.1082 7.3623 108.1189 45.4526 0.0000 173.9827 32 V 3.4267 7.3313 118.0271 62.0660 32.3037 176.5506 33 N 4.7060 8.1326 122.8608 52.0942 38.2462 175.9032 34 I 3.5835 8.2559 125.3844 64.8887 37.4129 176.9987 35 M 3.9393 8.1119 117.6911 59.0920 32.0654 177.7341 36 E 3.9998 8.4243 118.3924 59.6070 29.6774 178.4566 37 F 4.3845 8.5820 120.2610 61.4874 39.3853 176.1406 38 C 3.9743 8.3965 118.5453 62.8750 31.3936 176.0493 39 K 3.9808 8.0170 118.8544 59.1324 31.7291 179.2437 40 A 4.0947 8.4934 121.5184 55.6664 18.3872 178.9737 41 F 4.3993 8.7543 120.3130 61.4980 38.9856 176.7534 42 N 4.6421 8.5331 117.1116 54.8931 38.6131 177.3823 43 A 4.0512 7.6416 122.3083 55.2798 18.6191 179.7449 44 K 4.1035 7.6206 116.0051 58.9624 32.2645 179.5220 45 T 3.7937 7.5693 109.9669 64.0147 68.1978 176.2972 46 D 4.2753 7.2741 120.7748 57.4986 40.9191 177.8828 47 S 4.1792 7.8020 113.8416 61.4395 63.1172 174.9326 48 I 3.8418 7.1563 118.0370 60.0109 38.2749 174.8389 49 E 3.8527 8.7155 123.1509 56.9058 29.3996 177.5248 50 K 4.1387 8.4969 123.6287 57.1407 32.9477 177.7562 51 G 3.9527 8.9866 110.6658 45.0468 0.0000 172.7708 52 L 4.7844 7.4303 120.4051 51.8570 44.1403 173.7034 53 P 4.5462 0.0000 0.0000 63.3009 31.7545 175.3194 54 I 4.6123 7.9672 124.8292 58.2004 39.8763 173.1412 55 P 4.8123 0.0000 0.0000 62.6425 32.6376 175.3470 56 V 4.7213 8.9332 124.8458 59.6667 34.7742 174.7731 57 V 4.6327 8.1644 123.0649 61.4547 33.5709 174.1942 58 I 4.8789 8.2330 129.5614 60.3036 39.3072 174.8518 59 T 4.8670 8.9602 121.2735 60.3832 69.5916 173.1234 60 V 4.2159 8.3131 128.5255 61.8939 33.0942 174.3737 61 Y 4.8684 7.8294 122.5470 55.8013 40.4535 176.6719 62 A 4.2107 8.6541 122.7152 55.4933 18.5078 178.3576 63 D 4.4356 8.1872 114.1505 55.2959 41.4203 177.7941 64 R 4.1361 8.4139 116.3513 57.0228 29.1858 176.1879 65 S 4.7187 7.7942 113.5302 58.3452 63.6118 171.7657 66 F 5.0767 7.7320 114.1897 56.4803 39.8387 173.1946 67 T 5.1106 8.4650 109.0346 60.2536 72.4556 172.6254 68 F 5.8296 8.2736 116.0117 55.3196 41.1587 173.9169 69 V 4.3237 8.6224 114.3794 59.9250 33.8389 174.7215 70 T 4.5413 8.6779 121.6942 61.5585 67.4164 173.9760 71 K 4.5664 8.1384 134.2112 56.4512 32.8342 175.7811 72 T 4.6221 8.0215 117.7465 60.1328 69.2208 173.4347 73 P 4.5001 0.0000 0.0000 62.2411 31.9243 174.8421 74 P 4.3160 0.0000 0.0000 63.1099 33.1409 177.5379 75 A 3.9820 8.5887 122.0517 55.1019 18.3891 180.0115 76 A 3.9209 7.9726 118.8596 55.3769 18.5331 179.8242 77 V 3.5096 7.7282 116.0193 66.2808 31.7384 177.9186 78 L 4.0190 8.0701 118.6859 57.9656 41.4152 179.6584 79 L 4.0558 8.3494 119.2389 57.5497 41.4532 179.5910 80 K 4.0015 8.0097 118.5990 59.2966 31.9457 179.5414 81 K 3.9242 8.0571 118.3410 59.4601 31.8492 179.0717 82 A 3.9725 7.8017 119.2956 55.4047 18.4010 179.2856 83 A 4.3105 8.4037 117.6662 52.8772 18.5067 178.5633 84 G 3.7871 7.8656 105.0711 46.0552 0.0000 173.5658 85 I 4.3400 7.6869 113.2257 59.2692 39.6118 175.3375 86 K 4.3009 8.4808 118.5892 57.3099 33.2599 176.1515 87 S 4.7940 7.5963 110.1869 55.8842 66.5069 174.9441 88 G 4.0717 8.4063 113.6996 45.5547 0.0000 174.4024 89 S 4.5186 8.1428 112.9984 57.1679 64.1300 175.5024 90 G 4.0540 8.3617 113.9512 45.9625 0.0000 174.7971 91 K 4.5209 7.2436 119.9907 52.3512 31.9101 173.8685 92 P 4.5713 0.0000 0.0000 63.1410 32.5128 176.0769 93 N 4.8362 8.9334 121.4100 54.1547 37.4465 176.2210 94 K 4.0354 8.0134 117.1674 58.6453 32.5338 176.1940 95 D 4.7787 7.7180 117.1781 51.9102 43.3650 174.6280 96 K 5.0830 8.5576 125.5024 55.8016 33.7456 176.8469 97 V 4.1445 8.2953 115.4600 62.3052 33.3384 175.3219 98 G 4.3053 7.6341 106.3416 45.3552 0.0000 171.8174 99 K 5.3323 8.3918 117.7099 55.3478 35.9985 175.9291 100 I 4.9418 8.9039 122.0595 59.5114 41.7443 175.3706 101 S 5.3811 9.0661 120.8360 57.5120 63.3518 175.5788 102 R 3.9544 8.6814 120.9762 59.3537 29.7775 179.3088 103 A 4.2749 7.8046 121.6453 54.6393 18.4974 179.4023 104 Q 4.1938 7.8418 117.5150 58.6563 28.8421 178.9977 105 L 4.0440 7.9771 119.3656 58.1336 41.6340 179.5548 106 Q 4.1323 7.8381 117.0439 58.8889 28.0582 178.7034 107 E 4.0897 7.9987 119.2953 59.5045 29.4514 179.4634 108 I 3.7957 8.3136 120.1224 64.1997 37.1333 178.3779 109 A 3.9873 8.5424 122.1004 54.9286 17.9302 179.4069 110 Q 3.9904 7.8453 117.6465 59.3029 29.1625 178.0542 111 T 4.0990 7.5543 116.2412 66.3266 68.9032 176.6332 112 K 4.1802 8.5713 119.4219 57.9429 32.3051 179.0996 113 A 3.9413 7.7750 121.9339 55.3265 18.0461 179.2821 114 A 3.9822 8.0318 117.3230 55.0860 18.5642 178.5413 115 D 4.6513 8.2495 114.4294 53.9789 41.7968 176.6429 116 M 4.4907 6.9735 119.0072 54.3774 33.4045 176.1899 117 T 4.1148 8.5599 115.1190 63.4444 68.1006 174.9581 118 G 3.8785 7.8493 108.5244 45.1625 0.0000 173.3329 119 A 4.1080 8.8191 129.4185 54.2422 19.0595 177.0741 120 D 5.0721 7.6388 114.0254 50.7385 43.9180 176.6471 121 I 3.7236 8.2141 113.5091 64.1775 37.2918 177.9743 122 E 3.9127 8.2626 119.5249 59.1522 29.2729 178.8593 123 A 3.9803 8.9829 120.8695 55.5977 18.3758 179.5047 124 M 3.9922 7.8617 116.4893 58.9184 32.1553 179.1479 125 T 3.8735 8.2984 116.1782 66.7440 68.6534 176.6966 126 R 4.2042 8.1122 121.9227 58.9432 29.1938 178.4465 127 S 4.1481 8.3902 115.3778 61.9137 62.7245 176.8176 128 I 4.1476 7.6296 122.2563 64.0019 36.8192 178.0930 129 E 4.0536 8.1327 119.5327 59.4353 29.0274 179.6566 130 G 3.6210 8.0915 105.1138 47.5720 0.0000 175.5565 131 T 4.1158 7.3748 112.4412 64.3876 68.9202 176.9509 132 A 3.9796 8.2170 123.8928 55.1437 18.2911 179.9078 133 R 3.8720 8.0381 115.0937 59.0465 30.1363 178.8276 134 S 4.4094 7.6018 113.7278 60.0986 62.2997 175.2004 135 M 4.4459 8.2119 120.6274 54.3550 32.1542 176.9614 136 G 3.6356 7.9426 107.4726 46.0358 0.0000 172.5515 137 L 4.8282 7.7115 119.5784 52.6223 42.7889 176.8483 138 V 3.9005 8.3283 124.4542 62.6842 33.2193 175.1603 139 V 5.5634 8.4147 123.8279 60.1793 33.9723 174.1689 140 E 4.5344 8.7459 126.7347 54.9350 31.7267 175.8741 141 D 4.6022 8.4777 122.1724 54.1675 41.3286 176.2234 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 A 8.26 4.41 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 2 K 8.12 4.33 0.00 1.80 0.80 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.91 3.86 0.00 1.93 1.87 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.41 7.81 4 V 7.69 4.14 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 0.71 0.00 0.00 0.92 0.00 0.00 5 Q 8.09 4.49 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 6 A 8.24 4.69 1.16 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 0.00 0.00 7 Y 8.43 3.82 0.00 2.98 2.97 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 0.00 0.00 0.00 8 V 8.09 4.15 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 0.58 0.00 0.00 0.79 0.00 0.00 9 K 8.00 4.90 0.00 1.43 1.52 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.99 1.10 7.81 10 L 8.65 4.38 0.00 1.66 1.61 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.72 4.83 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 12 V 7.99 4.53 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 0.32 0.00 0.00 0.95 0.00 0.00 13 A 8.81 3.86 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 14 A 8.37 3.88 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 15 G 7.32 3.93 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 0.00 0.00 0.00 16 M 7.57 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 17 A 8.55 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 9.45 4.62 0.00 2.75 3.26 0.00 0.00 6.96 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 19 P 0.00 4.26 0.00 2.21 1.98 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 S 8.66 4.02 0.00 3.82 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 21 P 0.00 4.39 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.44 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.61 4.21 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 0.99 0.00 0.00 0.93 0.00 0.00 24 G 9.36 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.09 0.00 2.13 2.12 0.00 3.97 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 2.10 2.16 0.00 26 A 7.77 3.89 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 27 L 7.55 4.25 0.00 1.57 1.66 0.30 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 28 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.50 3.94 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 30 Q 7.68 4.13 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 31 G 7.36 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.33 3.43 1.67 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 -0.63 0.00 0.00 0.56 0.00 0.00 33 N 8.13 4.71 0.00 3.18 2.92 0.00 0.00 6.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.26 3.58 1.89 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 1.50 0.95 0.93 0.00 0.00 35 M 8.11 3.94 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.73 0.00 36 E 8.42 4.00 0.00 2.23 2.43 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 2.47 2.45 0.00 37 F 8.58 4.38 0.00 3.43 3.23 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 38 C 8.40 3.97 0.00 3.11 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 39 K 8.02 3.98 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.49 4.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.75 4.40 0.00 1.53 2.40 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 42 N 8.53 4.64 0.00 2.77 2.81 0.00 0.00 6.56 8.83 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 43 A 7.64 4.05 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 44 K 7.62 4.10 0.00 1.90 1.81 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 T 7.57 3.79 3.91 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 -0.09 0.00 0.00 46 D 7.27 4.28 0.00 2.82 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 47 S 7.80 4.18 0.00 3.95 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 48 I 7.16 3.84 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.86 0.00 0.00 49 E 8.72 3.85 0.00 2.00 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 2.33 2.32 0.00 50 K 8.50 4.14 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.48 7.81 51 G 8.99 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 52 L 7.43 4.78 0.00 1.61 1.60 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.55 0.00 2.10 2.13 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 I 7.97 4.61 1.96 0.00 0.00 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 1.37 1.31 1.18 0.00 0.00 55 P 0.00 4.81 0.00 2.18 2.20 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 56 V 8.93 4.72 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 0.62 0.00 0.00 1.46 0.00 0.00 57 V 8.16 4.63 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 0.89 0.00 0.00 0.91 0.00 0.00 58 I 8.23 4.88 1.57 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 0.74 0.34 0.72 0.00 0.00 59 T 8.96 4.87 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 1.22 0.00 0.00 60 V 8.31 4.22 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 0.92 0.00 0.00 0.74 0.00 0.00 61 Y 7.83 4.87 0.00 3.12 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 62 A 8.65 4.21 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 63 D 8.19 4.44 0.00 2.76 2.83 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 64 R 8.41 4.14 0.00 2.06 2.16 0.00 3.25 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.79 4.72 0.00 4.16 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 66 F 7.73 5.08 0.00 3.04 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 67 T 8.47 5.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 68 F 8.27 5.83 0.00 3.25 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 69 V 8.62 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.05 0.00 0.00 70 T 8.68 4.54 4.51 0.00 0.00 0.00 0.00 0.00 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 71 K 8.14 4.57 0.00 1.97 2.09 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.60 7.81 72 T 8.02 4.62 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 1.28 0.00 0.00 73 P 0.00 4.50 0.00 2.24 2.17 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 74 P 0.00 4.32 0.00 2.19 2.05 0.00 3.68 0.00 0.00 3.84 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 75 A 8.59 3.98 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 76 A 7.97 3.92 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 77 V 7.73 3.51 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 1.08 0.00 0.00 0.94 0.00 0.00 78 L 8.07 4.02 0.00 1.91 1.72 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.35 4.06 0.00 1.85 1.72 0.92 0.89 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 80 K 8.01 4.00 0.00 2.02 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 81 K 8.06 3.92 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 82 A 7.80 3.97 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 83 A 8.40 4.31 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 84 G 7.87 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 0.00 0.00 0.00 85 I 7.69 4.34 1.87 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 1.43 0.70 0.91 0.00 0.00 86 K 8.48 4.30 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.39 7.81 87 S 7.60 4.79 0.00 3.76 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 88 G 8.41 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.14 4.52 0.00 4.10 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 90 G 8.36 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 91 K 7.24 4.52 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 P 0.00 4.57 0.00 2.03 2.09 0.00 3.81 0.00 0.00 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 93 N 8.93 4.84 0.00 2.89 3.01 0.00 0.00 6.91 7.61 0.00 0.00 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 K 8.01 4.04 0.00 1.71 2.03 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 95 D 7.72 4.78 0.00 2.55 2.49 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 96 K 8.56 5.08 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.30 4.14 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 0.72 0.00 0.00 0.98 0.00 0.00 98 G 7.63 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 0.00 0.00 0.00 0.00 99 K 8.39 5.33 0.00 1.89 1.73 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.90 4.94 1.87 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 1.29 0.82 1.01 0.00 0.00 101 S 9.07 5.38 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.68 3.95 0.00 1.92 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 103 A 7.80 4.27 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 0.00 104 Q 7.84 4.19 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.98 4.04 0.00 1.83 1.73 0.92 0.99 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 0.00 106 Q 7.84 4.13 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 107 E 8.00 4.09 0.00 2.23 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 0.00 108 I 8.31 3.80 2.00 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 1.46 0.90 0.92 0.00 0.00 109 A 8.54 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.85 3.99 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.55 4.10 4.39 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 1.22 0.00 0.00 112 K 8.57 4.18 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 113 A 7.77 3.94 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 0.00 114 A 8.03 3.98 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 0.00 115 D 8.25 4.65 0.00 2.64 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 0.00 116 M 6.97 4.49 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.47 0.00 117 T 8.56 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 G 7.85 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 0.00 119 A 8.82 4.11 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 0.00 120 D 7.64 5.07 0.00 3.01 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 0.00 121 I 8.21 3.72 1.87 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 1.64 1.41 0.91 0.00 0.00 122 E 8.26 3.91 0.00 2.32 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 2.40 2.45 0.00 123 A 8.98 3.98 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 0.00 124 M 7.86 3.99 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 125 T 8.30 3.87 4.39 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 1.28 0.00 0.00 126 R 8.11 4.20 0.00 1.99 2.05 0.00 3.16 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.39 4.15 0.00 4.08 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 0.00 128 I 7.63 4.15 2.01 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 1.53 0.89 0.92 0.00 0.00 129 E 8.13 4.05 0.00 2.23 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 2.33 2.57 0.00 130 G 8.09 3.62 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 0.00 0.00 0.00 131 T 7.37 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 132 A 8.22 3.98 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 0.00 133 R 8.04 3.87 0.00 1.79 2.01 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 134 S 7.60 4.41 0.00 3.97 3.91 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 0.00 135 M 8.21 4.45 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 136 G 7.94 3.64 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 0.00 0.00 0.00 137 L 7.71 4.83 0.00 1.62 1.63 0.92 0.95 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 0.00 138 V 8.33 3.90 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 0.89 0.00 0.00 0.93 0.00 0.00 139 V 8.41 5.56 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 0.98 0.00 0.00 0.93 0.00 0.00 140 E 8.75 4.53 0.00 2.04 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 2.29 2.23 0.00 141 D 8.48 4.60 0.00 2.67 2.59 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