NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3272 8.3349 115.2913 56.5442 64.5535 173.0390 5 L 4.3674 7.7917 123.4609 51.5783 42.6921 175.5231 6 S 4.3160 8.9432 119.6714 59.9473 64.6803 173.3830 7 Y 4.7582 7.8620 121.4845 55.6623 40.1166 174.3945 8 R 4.3504 7.1749 121.1889 54.2626 31.3606 175.3844 9 C 4.3229 8.1405 116.0164 56.2398 40.7986 173.5493 10 P 4.0682 0.0000 0.0000 64.6673 31.2167 177.1895 11 C 4.7236 7.3180 115.5807 54.9321 41.2567 174.0717 12 R 3.8831 8.4550 125.0275 58.9886 29.9377 176.1341 13 F 4.3399 6.7839 109.5202 56.3526 40.1260 172.3371 14 F 5.2752 8.5132 118.9696 55.7585 40.8011 175.3926 15 E 4.5466 9.4878 126.4673 55.9772 30.1340 176.8887 16 S 4.5958 8.8524 117.9923 60.0275 64.1226 174.5580 17 H 5.0784 8.0238 117.3067 55.0452 29.2901 173.9642 18 V 4.1132 7.9987 118.5265 61.6430 32.7783 174.4762 19 A 4.6151 8.1482 129.0696 49.7699 21.7120 176.8619 20 R 2.5100 7.1943 121.3169 58.9983 29.9498 178.2341 21 A 3.7971 7.5877 118.8125 54.7525 18.3644 177.3385 22 N 4.7258 8.4719 112.5201 53.2799 39.1664 173.9229 23 V 4.6282 7.4443 110.6640 60.1835 33.0113 175.6777 24 K 4.3250 8.9215 126.3610 58.6888 33.1823 176.1433 25 H 4.9332 7.8786 117.1315 54.9058 33.3356 172.2590 26 L 5.2093 8.1502 123.2868 52.7878 45.0141 175.7693 27 K 4.5642 9.1328 123.9329 54.6647 35.6984 174.8612 28 I 4.5787 8.4551 128.1722 60.7420 38.3885 174.9679 29 L 4.5712 9.1573 127.9069 53.3158 43.6764 175.2507 30 N 4.8994 8.8674 122.1805 51.9571 40.6296 173.0999 31 T 4.7427 8.1823 115.2528 58.3666 71.6679 172.4199 32 P 4.3823 0.0000 0.0000 64.5166 31.6768 175.9437 33 N 4.3316 9.0138 117.6813 54.1190 36.2501 174.3499 34 C 5.0379 7.8686 114.0542 54.5904 42.9831 174.1701 35 A 4.2562 8.4610 126.1930 51.6571 18.6959 176.9565 36 L 4.2148 8.4601 122.0003 56.2373 42.6387 176.5203 37 Q 4.6791 8.8688 123.3859 54.2107 33.3330 174.0127 38 I 4.7456 8.0549 122.7691 59.7014 39.8053 174.5852 39 V 4.8531 9.0379 126.5148 60.9560 34.4095 173.8479 40 A 5.2828 9.2965 132.2003 50.7636 21.9626 175.7484 41 R 4.7206 8.9074 123.3813 56.1961 30.8960 173.5523 42 L 4.8053 8.4661 126.7184 53.9117 42.5094 178.1228 43 K 4.1803 9.0936 126.7813 58.7998 31.4163 178.8576 44 N 4.4954 8.0340 114.9803 54.3632 38.3415 174.8145 45 N 4.6830 7.4759 114.0330 52.4664 40.8055 173.8242 46 N 5.0273 7.8499 118.3765 51.2875 40.8981 174.7230 47 R 4.5088 8.2170 119.1639 55.2993 33.0637 174.4080 48 Q 5.0858 8.4705 120.6769 54.5785 31.3324 174.8883 49 V 4.5530 8.8759 119.2012 59.5990 35.8167 174.1188 50 C 5.1919 8.6488 121.7814 56.6007 41.4861 172.5090 51 I 4.8902 8.2311 117.2258 58.4995 40.1132 175.0192 52 D 3.3700 8.5297 124.2917 53.5955 41.3069 175.0229 53 P 3.9297 0.0000 0.0000 65.4325 31.3972 177.0345 54 K 4.4833 7.8807 115.6821 56.0086 32.2512 176.7094 55 L 3.9943 7.6965 121.1504 54.4175 41.9822 177.5041 56 K 3.8457 9.0733 125.6877 59.6818 32.2509 178.6091 57 W 4.4972 8.2572 115.6022 59.3007 27.8779 178.1516 58 I 2.9803 6.5101 119.8582 64.2444 36.6872 177.5916 59 Q 4.0587 7.9877 118.0878 59.6706 28.3800 179.5267 60 E 3.9791 7.7740 117.4380 58.8706 29.6033 178.1447 61 Y 4.3003 7.7855 114.6172 58.7637 38.4729 176.9351 62 L 4.2455 8.0158 119.8887 56.6257 41.8898 178.4532 63 E 4.0958 8.1138 118.0308 59.4013 29.5807 176.9382 64 K 4.1527 7.8684 120.4822 56.6675 32.2566 176.9540 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 4 S 8.33 4.33 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.79 4.37 0.00 1.76 1.64 0.93 0.59 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 6 S 8.94 4.32 0.00 4.02 4.02 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 7 Y 7.86 4.76 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.17 4.35 0.00 1.73 1.68 0.00 3.02 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.47 0.00 9 C 8.14 4.32 0.00 2.91 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 10 P 0.00 4.07 0.00 2.02 2.09 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 11 C 7.32 4.72 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.45 3.88 0.00 1.73 2.15 0.00 3.34 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 13 F 6.78 4.34 0.00 2.96 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 14 F 8.51 5.28 0.00 3.12 2.99 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 15 E 9.49 4.55 0.00 2.10 1.99 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 2.56 2.33 0.00 16 S 8.85 4.60 0.00 4.04 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 17 H 8.02 5.08 0.00 3.15 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.00 4.11 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 0.86 0.00 0.00 1.01 0.00 0.00 19 A 8.15 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.19 2.51 0.00 0.67 1.18 0.00 2.21 0.00 0.00 2.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 21 A 7.59 3.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.47 4.73 0.00 2.71 2.72 0.00 0.00 7.03 7.30 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 23 V 7.44 4.63 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 0.80 0.00 0.00 1.02 0.00 0.00 24 K 8.92 4.32 0.00 1.74 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 25 H 7.88 4.93 0.00 3.19 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.15 5.21 0.00 1.46 1.47 1.03 0.84 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 27 K 9.13 4.56 0.00 1.81 1.60 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.44 7.81 28 I 8.46 4.58 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.89 0.00 0.00 29 L 9.16 4.57 0.00 1.74 1.60 0.93 0.30 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 30 N 8.87 4.90 0.00 2.68 2.71 0.00 0.00 7.00 7.70 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 31 T 8.18 4.74 4.45 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 1.28 0.00 0.00 32 P 0.00 4.38 0.00 1.87 1.97 0.00 3.91 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 1.89 2.08 0.00 33 N 9.01 4.33 0.00 2.99 2.99 0.00 0.00 6.84 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 34 C 7.87 5.04 0.00 3.17 2.99 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 35 A 8.46 4.26 1.30 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 0.00 0.00 0.00 36 L 8.46 4.21 0.00 1.64 1.59 0.97 0.64 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 37 Q 8.87 4.68 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 38 I 8.05 4.75 1.82 0.00 0.00 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 1.01 0.68 0.80 0.00 0.00 39 V 9.04 4.85 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 0.94 0.00 0.00 40 A 9.30 5.28 1.25 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 0.00 0.00 41 R 8.91 4.72 0.00 1.51 1.82 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 42 L 8.47 4.81 0.00 1.55 1.62 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.09 4.18 0.00 1.51 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.30 7.81 44 N 8.03 4.50 0.00 2.74 2.89 0.00 0.00 7.02 7.88 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 45 N 7.48 4.68 0.00 2.78 2.67 0.00 0.00 6.72 8.00 0.00 0.00 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 7.85 5.03 0.00 2.80 2.77 0.00 0.00 5.95 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 47 R 8.22 4.51 0.00 1.79 1.90 0.00 3.08 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 48 Q 8.47 5.09 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.53 0.00 49 V 8.88 4.55 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 0.77 0.00 0.00 1.02 0.00 0.00 50 C 8.65 5.19 0.00 3.02 3.29 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 51 I 8.23 4.89 1.80 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 1.03 0.47 1.02 0.00 0.00 52 D 8.53 3.37 0.00 2.80 2.51 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 0.00 53 P 0.00 3.93 0.00 1.89 1.95 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 54 K 7.88 4.48 0.00 1.88 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 55 L 7.70 3.99 0.00 1.36 1.15 0.87 0.54 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 56 K 9.07 3.85 0.00 1.85 1.97 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.51 7.81 57 W 8.26 4.50 0.00 3.79 3.39 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 58 I 6.51 2.98 1.54 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.10 0.67 0.00 0.00 59 Q 7.99 4.06 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 60 E 7.77 3.98 0.00 2.13 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 2.35 2.38 0.00 61 Y 7.79 4.30 0.00 3.22 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 62 L 8.02 4.25 0.00 1.80 1.71 0.85 1.08 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 63 E 8.11 4.10 0.00 1.88 1.99 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 2.45 2.32 0.00 64 K 7.87 4.15 0.00 1.72 1.71 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.44 7.81