NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1801 8.1727 122.0527 56.2922 34.1293 174.0454 2 V 4.5636 8.1667 127.0130 60.6779 32.3352 174.5445 3 F 4.2569 10.0849 128.9910 57.5690 40.2275 174.7296 4 E 4.3225 8.8097 120.2907 55.5354 31.0137 177.0335 5 R 3.3057 8.9312 122.5984 60.5378 29.9781 179.6219 6 C 4.3551 8.0253 115.2554 59.6049 35.0068 175.6920 7 E 3.8830 8.0798 120.8395 59.1354 29.2430 178.4566 8 L 3.6689 8.1077 120.2053 57.8314 42.0996 178.4762 9 A 3.9506 7.7678 120.7600 55.5455 18.2714 179.8530 10 R 3.8906 7.9370 116.2499 59.6587 30.1269 179.5247 11 T 3.8552 7.8149 115.2069 66.6657 68.4594 176.7624 12 L 3.8703 8.1250 121.2600 57.4907 41.5664 179.5200 13 K 3.9099 8.1494 119.6597 59.5593 31.9633 178.9324 14 R 3.9679 7.9859 117.8404 58.8955 30.0006 177.4302 15 L 4.4195 7.4804 116.5884 54.0317 41.7071 176.8956 16 G 3.8797 7.7510 106.7624 46.8757 0.0000 175.1836 17 M 3.9228 7.8358 121.4444 56.4909 32.3594 175.8391 18 D 4.5928 8.0283 118.1516 55.7545 41.3256 175.8243 19 G 3.9391 9.3613 115.5402 45.4961 0.0000 171.5172 20 Y 4.1652 8.3479 122.1317 58.5789 38.9147 176.2894 21 R 3.6571 9.0185 126.9820 57.3133 27.7609 177.2879 22 G 3.8092 8.0554 103.3839 45.6588 0.0000 174.0130 23 I 4.0609 7.5575 122.0395 59.0919 38.1128 175.9246 24 S 4.6698 8.2880 120.2682 57.6486 63.9590 174.9567 25 L 4.2426 8.8337 122.9102 58.4757 41.7518 179.2307 26 A 4.1578 8.1568 120.2532 55.3155 18.3077 179.2393 27 N 4.5055 8.1030 114.6183 56.2736 38.6845 177.7668 28 W 4.2626 8.0639 119.9383 59.9302 29.1594 178.3823 29 M 4.2176 8.5418 119.0567 58.4997 31.5518 177.9163 30 C 3.1469 8.0673 118.6580 59.0221 42.7521 175.3626 31 L 3.9869 8.1673 121.6963 58.2857 41.7698 178.7862 32 A 4.0907 8.1975 120.6660 54.9102 18.3628 179.3946 33 K 2.7007 7.9550 118.0291 59.3099 31.9950 179.0596 34 W 4.2906 7.3830 116.7586 59.0982 29.1061 178.4362 35 E 4.3181 8.4277 118.9162 58.7393 29.3907 177.8391 36 S 4.5143 7.9689 109.3474 56.5718 64.7741 174.3648 37 G 3.6556 7.9381 108.7371 46.9835 0.0000 173.2013 38 Y 3.6222 7.5909 113.2328 58.6883 35.4370 168.9419 39 N 5.2958 7.5290 118.6707 51.9266 40.0777 175.3201 40 T 4.0310 9.0364 117.9719 63.7164 69.8958 175.8368 41 R 4.7370 8.0866 117.0701 55.7118 30.4693 176.4805 42 A 4.3437 7.8882 123.5854 52.7585 19.2581 177.3894 43 T 5.0190 8.4120 111.5171 59.9952 72.5807 173.1479 44 N 4.8603 8.8151 121.7149 52.3878 42.3270 172.3933 45 Y 4.6608 8.7538 128.2245 57.2521 40.7006 173.7862 46 N 4.7150 8.4866 125.0414 51.3383 38.7472 175.4743 47 A 3.6429 8.3897 127.9020 54.8458 18.9507 179.1167 48 G 3.7309 8.1344 104.0895 48.1982 0.0000 173.9104 49 D 4.7379 7.6866 115.4267 51.8612 40.0641 175.7784 50 R 3.7984 8.0646 116.9588 57.0630 28.0979 175.8115 51 S 4.9856 7.5695 111.0492 56.9062 66.7204 172.7353 52 T 5.0554 8.9087 116.4800 61.9237 72.4304 172.7916 53 D 5.3966 9.0464 125.7216 53.3615 42.9850 175.0493 54 Y 5.0482 9.1429 121.2470 57.4192 41.5188 177.3110 55 G 4.3186 9.1101 112.0730 45.9660 0.0000 173.4703 56 I 3.8079 8.2203 116.8333 62.9647 37.7258 176.9380 57 F 4.7063 7.9761 115.3071 56.5081 39.8617 175.3125 58 Q 3.5633 8.0149 119.2353 57.1038 26.4345 173.8033 59 I 4.4633 8.2514 119.1715 60.9210 39.3923 176.7203 60 N 5.3568 9.2145 126.1402 53.2854 39.8059 175.6932 61 S 4.8112 9.0809 120.5769 60.1176 63.2040 175.2355 62 R 3.7903 8.6286 121.7659 58.3591 30.5001 177.6584 63 Y 4.1055 7.6488 114.0783 57.8639 40.2749 176.6628 64 W 5.2821 7.9755 118.4295 57.3889 31.3558 173.9814 65 C 5.5307 8.1176 112.6942 53.7944 46.5452 172.2446 66 N 5.0626 9.2685 119.5749 51.9179 40.4699 174.6974 67 D 4.9029 8.5549 123.3080 52.2918 40.4857 177.9431 68 G 4.1130 8.6152 111.1832 46.1550 0.0000 174.9652 69 K 4.3630 8.0180 116.0342 56.6631 33.0608 176.1040 70 T 4.4885 7.7232 117.2961 61.8472 68.9075 172.9934 71 P 4.2852 0.0000 0.0000 63.4535 31.9628 175.9527 72 G 3.9339 8.5656 106.6450 46.3110 0.0000 173.5756 73 A 4.1829 7.7234 120.2017 51.5418 19.4053 177.5956 74 V 4.3940 8.2831 119.5127 60.4619 34.9358 174.8776 75 N 4.9570 7.9460 120.1113 52.0018 36.9983 173.4415 76 A 4.1920 8.8553 125.1508 55.5837 18.6906 180.6770 77 A 4.1202 7.8290 115.2972 53.1951 19.0650 178.4242 78 H 4.1427 8.2401 110.2053 56.4518 26.8089 174.6989 79 L 4.7016 7.6916 118.6754 52.9826 43.9174 175.6145 80 S 4.7298 8.2132 115.3204 57.7832 63.3891 176.0091 81 C 4.1360 8.7123 124.8475 59.6201 38.4114 176.3935 82 S 3.8963 7.7474 114.8526 61.1429 61.6933 175.8613 83 A 4.1208 7.8859 122.6171 54.4222 17.8340 177.9343 84 L 4.4672 7.6292 116.2463 55.0289 41.7765 177.5891 85 L 5.0156 7.8201 117.2356 54.5694 42.2712 176.6605 86 Q 4.4033 7.7663 117.9250 55.2602 29.6431 175.8643 87 D 4.4115 8.4979 119.2952 56.9218 41.1525 176.6490 88 N 4.6208 8.0275 118.1414 52.9943 39.0565 174.4416 89 I 4.2651 8.4421 119.3701 61.2208 38.0004 177.1349 90 A 3.9412 8.3233 125.3504 55.9954 18.1716 180.2991 91 D 4.3110 8.0730 116.6000 57.3456 40.9677 178.6775 92 A 4.1533 7.9979 120.9046 55.0294 18.3339 179.7579 93 V 3.3491 8.1089 116.9250 66.0066 31.6609 178.1844 94 A 3.8131 7.9502 120.3455 54.8216 18.1216 179.5884 95 A 3.9049 8.1235 119.1414 55.3390 18.5163 179.6152 96 A 3.9810 8.0479 119.4662 55.3529 18.0667 180.0181 97 K 3.7366 7.6534 116.0986 59.3473 32.2927 179.2779 98 R 4.0344 7.6413 118.5572 59.2745 30.0485 178.4930 99 V 2.0000 7.2986 118.0086 65.6870 31.1540 177.9231 100 V 3.9240 7.2767 107.7854 62.4821 31.5821 177.7660 101 R 4.1853 7.6739 117.6826 56.7930 30.6076 176.2820 102 D 4.7833 7.3337 119.3961 52.3177 42.0164 175.4341 103 P 4.1810 0.0000 0.0000 66.2739 31.3331 177.7556 104 Q 4.0128 8.1814 117.3491 56.5728 30.0043 177.2092 105 G 3.6747 8.1192 107.3735 46.3086 0.0000 175.9393 106 I 3.6969 7.6862 120.4023 63.1344 38.0069 177.5974 107 R 4.4267 7.4616 117.1216 57.5599 29.8864 177.4456 108 A 4.0815 7.6981 121.2665 54.0747 18.8282 177.8009 109 W 4.7159 8.1651 117.0054 55.4556 30.0601 177.4963 110 V 3.7272 8.7575 123.6473 66.0199 30.9881 177.5502 111 A 4.0677 8.3488 120.1161 54.9049 18.0843 179.2657 112 W 3.9337 8.2740 126.5761 60.6890 30.5946 178.4759 113 R 3.6677 8.0976 116.3630 59.1342 29.6474 178.3989 114 N 4.3930 7.8667 115.2278 55.5871 38.7466 176.8184 115 R 4.1987 7.5477 112.8003 55.8079 30.4046 174.9548 116 C 4.5236 7.1076 115.7485 58.4004 42.5447 174.0779 117 Q 3.2084 6.4414 119.4517 57.4443 28.5715 175.8610 118 N 4.2070 8.7422 120.7861 54.3430 36.0483 173.7050 119 R 4.5063 7.3738 115.4673 53.9806 33.2033 175.3003 120 D 4.4942 8.5020 118.4350 53.9045 40.5813 175.4770 121 A 4.8537 8.4757 129.1392 52.2621 19.9235 178.4811 122 R 4.0210 7.9503 116.0863 59.4511 29.8304 178.6899 123 Q 3.9782 8.0346 115.9104 59.4934 28.2899 178.1206 124 Y 4.3756 7.8681 117.6896 59.7468 38.2525 176.5223 125 V 4.3716 7.7869 110.8743 60.5898 33.2468 175.2259 126 Q 4.1225 7.9601 122.2968 57.3484 29.1916 176.2542 127 G 3.9733 8.9948 113.1844 45.8520 0.0000 174.3158 128 C 4.4123 7.9203 115.6092 56.7375 40.6477 174.4738 129 G 3.9040 8.1944 107.2127 46.1635 0.0000 174.1460 130 V 3.9907 7.7551 117.9978 61.1180 31.9236 175.7695 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 K 8.17 4.18 0.00 1.85 1.70 0.00 1.29 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.14 7.81 2 V 8.17 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.08 4.26 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.81 4.32 0.00 1.90 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 2.26 2.36 0.00 5 R 8.93 3.31 0.00 1.89 1.91 0.00 3.43 0.00 0.00 3.46 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 6 C 8.03 4.36 0.00 3.00 3.11 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 7 E 8.08 3.88 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 8 L 8.11 3.67 0.00 1.43 1.43 -0.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 3.95 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 10 R 7.94 3.89 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.81 3.86 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 1.21 0.00 0.00 12 L 8.12 3.87 0.00 1.76 1.59 0.95 0.47 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 13 K 8.15 3.91 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.99 3.97 0.00 1.96 2.07 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.48 4.42 0.00 1.55 1.55 0.85 0.90 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 16 G 7.75 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 17 M 7.84 3.92 0.00 1.30 1.98 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 18 D 8.03 4.59 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.36 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 20 Y 8.35 4.17 0.00 3.40 3.21 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 21 R 9.02 3.66 0.00 1.91 1.86 0.00 3.31 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.31 0.00 22 G 8.06 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 0.00 0.00 0.00 23 I 7.56 4.06 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.64 -0.31 0.00 0.00 24 S 8.29 4.67 0.00 4.07 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 25 L 8.83 4.24 0.00 2.10 1.81 0.99 1.07 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 26 A 8.16 4.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.51 0.00 2.82 2.79 0.00 0.00 6.97 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 28 W 8.06 4.26 0.00 3.52 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 29 M 8.54 4.22 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.91 0.00 30 C 8.07 3.15 0.00 2.63 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 31 L 8.17 3.99 0.00 1.87 1.87 0.49 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 0.00 0.00 0.00 0.00 32 A 8.20 4.09 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 33 K 7.96 2.70 0.00 1.46 1.54 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.63 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.83 0.21 7.81 34 W 7.38 4.29 0.00 3.35 3.25 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 0.00 35 E 8.43 4.32 0.00 1.98 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 0.00 2.56 2.37 0.00 36 S 7.97 4.51 0.00 4.04 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 37 G 7.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.59 3.62 0.00 3.22 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 39 N 7.53 5.30 0.00 2.94 2.82 0.00 0.00 7.01 7.10 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 40 T 9.04 4.03 4.48 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 1.46 0.00 0.00 41 R 8.09 4.74 0.00 1.89 2.09 0.00 3.09 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 42 A 7.89 4.34 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 43 T 8.41 5.02 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 1.35 0.00 0.00 44 N 8.82 4.86 0.00 3.01 2.67 0.00 0.00 6.90 7.15 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 45 Y 8.75 4.66 0.00 3.06 2.84 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 0.00 46 N 8.49 4.71 0.00 2.67 2.62 0.00 0.00 6.49 7.83 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 47 A 8.39 3.64 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 48 G 8.13 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 49 D 7.69 4.74 0.00 2.72 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 50 R 8.06 3.80 0.00 2.02 2.17 0.00 3.09 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 51 S 7.57 4.99 0.00 3.82 3.89 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 52 T 8.91 5.06 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 0.58 0.00 0.00 53 D 9.05 5.40 0.00 2.70 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 54 Y 9.14 5.05 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 55 G 9.11 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 56 I 8.22 3.81 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.76 0.06 0.00 0.00 57 F 7.98 4.71 0.00 3.24 3.07 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 58 Q 8.01 3.56 0.00 2.54 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.79 0.00 59 I 8.25 4.46 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 1.21 0.00 0.00 60 N 9.21 5.36 0.00 3.08 3.02 0.00 0.00 6.97 7.39 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 61 S 9.08 4.81 0.00 4.06 4.38 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 62 R 8.63 3.79 0.00 1.59 1.41 0.00 2.61 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 63 Y 7.65 4.11 0.00 1.44 1.65 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 0.00 0.00 0.00 0.00 64 W 7.98 5.28 0.00 3.47 3.31 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 65 C 8.12 5.53 0.00 3.08 3.22 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 66 N 9.27 5.06 0.00 2.77 2.68 0.00 0.00 7.01 8.53 0.00 0.00 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 D 8.55 4.90 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.62 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 69 K 8.02 4.36 0.00 1.91 1.93 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 70 T 7.72 4.49 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 1.15 0.00 0.00 71 P 0.00 4.29 0.00 2.01 1.97 0.00 3.81 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 2.03 2.10 0.00 72 G 8.57 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 73 A 7.72 4.18 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 74 V 8.28 4.39 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 0.66 0.00 0.00 0.83 0.00 0.00 75 N 7.95 4.96 0.00 2.61 2.52 0.00 0.00 6.96 7.96 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 76 A 8.86 4.19 1.18 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 0.00 0.00 77 A 7.83 4.12 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 78 H 8.24 4.14 0.00 3.41 3.56 0.00 5.83 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 79 L 7.69 4.70 0.00 1.75 1.58 1.00 0.80 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 80 S 8.21 4.73 0.00 3.83 3.69 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 0.00 0.00 0.00 0.00 81 C 8.71 4.14 0.00 2.31 1.45 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 82 S 7.75 3.90 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.89 4.12 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 84 L 7.63 4.47 0.00 1.94 1.81 1.05 0.58 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 85 L 7.82 5.02 0.00 1.79 1.71 1.10 1.13 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 86 Q 7.77 4.40 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 87 D 8.50 4.41 0.00 2.66 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 88 N 8.03 4.62 0.00 2.70 2.76 0.00 0.00 6.97 7.94 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 89 I 8.44 4.27 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.41 0.95 0.00 0.00 90 A 8.32 3.94 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 91 D 8.07 4.31 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.00 4.15 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 93 V 8.11 3.35 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 0.77 0.00 0.00 0.86 0.00 0.00 94 A 7.95 3.81 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 95 A 8.12 3.90 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 96 A 8.05 3.98 0.69 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.65 3.74 0.00 1.57 1.38 0.00 1.27 0.00 0.00 0.85 0.00 0.00 2.19 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.89 7.81 98 R 7.64 4.03 0.00 1.97 2.11 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 99 V 7.30 2.00 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 -0.22 0.00 0.00 -0.56 0.00 0.00 100 V 7.28 3.92 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 1.03 0.00 0.00 1.41 0.00 0.00 101 R 7.67 4.19 0.00 2.08 2.03 0.00 3.24 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 102 D 7.33 4.78 0.00 2.98 2.61 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 0.00 103 P 0.00 4.18 0.00 2.15 2.21 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 104 Q 8.18 4.01 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 105 G 8.12 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.69 3.70 0.94 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.50 -0.79 0.00 0.00 107 R 7.46 4.43 0.00 2.12 2.05 0.00 3.25 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 108 A 7.70 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.17 4.72 0.00 3.51 3.25 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 0.00 110 V 8.76 3.73 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.35 4.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 3.93 0.00 3.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.10 3.67 0.00 2.01 1.96 0.00 3.63 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 114 N 7.87 4.39 0.00 2.73 2.72 0.00 0.00 6.88 7.54 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 0.00 115 R 7.55 4.20 0.00 0.96 1.19 0.00 2.79 0.00 0.00 2.92 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.00 116 C 7.11 4.52 0.00 1.70 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 0.00 117 Q 6.44 3.21 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 118 N 8.74 4.21 0.00 2.81 2.84 0.00 0.00 6.90 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 0.00 119 R 7.37 4.51 0.00 1.81 1.81 0.00 3.16 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 120 D 8.50 4.49 0.00 2.62 2.61 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 0.00 121 A 8.48 4.85 1.54 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 0.00 0.00 122 R 7.95 4.02 0.00 1.92 2.03 0.00 3.16 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 123 Q 8.03 3.98 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 1.90 1.41 0.00 124 Y 7.87 4.38 0.00 3.20 3.17 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 0.00 125 V 7.79 4.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 126 Q 7.96 4.12 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 127 G 8.99 3.97 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 0.00 0.00 0.00 128 C 7.92 4.41 0.00 3.07 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 G 8.19 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 0.00 0.00 0.00 130 V 7.76 3.99 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 0.74 0.00 0.00 0.96 0.00 0.00