NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4425 8.3049 120.3362 55.5373 33.4235 174.7100 2 Y 4.5683 8.5725 122.7980 56.8123 39.6789 173.2714 3 L 5.1533 9.4897 123.0433 53.2228 45.1956 176.2276 4 T 4.6464 8.9289 112.1433 61.4647 70.0089 175.2281 5 L 3.4257 9.0355 124.1041 58.6579 42.0428 179.3452 6 Q 4.0065 8.0899 117.1546 59.0272 28.4700 178.6037 7 E 3.9772 8.1289 118.6568 58.9842 29.9190 178.8400 8 W 4.1400 8.7761 128.7948 60.5512 30.6377 177.4529 9 N 4.0784 8.6319 117.0598 56.6762 38.1601 176.6383 10 A 3.9702 7.8932 120.9517 54.5666 18.5215 178.9252 11 R 4.1071 7.2732 114.2432 56.2254 30.4018 176.9001 12 Q 4.0859 6.7208 119.0570 54.6377 29.5995 177.2609 13 R 3.9440 8.2791 116.0671 58.6268 29.6223 176.8598 14 R 4.4273 7.1450 114.4456 53.0786 30.5137 171.7532 15 P 4.4549 0.0000 0.0000 62.5082 31.9571 176.3491 16 R 4.5765 8.4678 121.6372 53.7939 32.8553 176.4954 17 S 4.2344 8.1271 113.3192 58.6270 64.5762 175.0449 18 L 3.8960 8.4201 123.4747 57.9996 41.4072 179.1847 19 E 3.8629 8.1762 118.6362 59.9049 29.3724 179.1003 20 T 3.6170 7.6772 115.3660 66.3909 68.4584 177.0094 21 V 2.8990 7.0818 119.7183 65.7663 31.4625 178.1764 22 R 3.9331 8.0998 118.0909 59.2529 29.8333 178.9426 23 R 3.8784 7.8723 118.3272 59.3089 30.0165 178.3591 24 W 4.4606 8.1936 118.8331 59.9811 29.0591 178.6570 25 V 3.2916 7.8996 117.8289 66.1055 30.7207 178.2139 26 R 3.9891 7.9330 116.4769 58.8733 29.9017 177.8539 27 E 4.4267 8.1898 115.8277 54.9914 30.0634 176.0767 28 S 3.4653 7.6306 113.8031 59.7712 61.0963 173.2351 29 R 4.3051 8.0667 118.2511 56.8818 31.3132 176.7952 30 I 4.8583 7.0331 120.8046 59.3499 39.8055 174.5118 31 F 5.0530 9.1421 125.2859 54.8098 42.5549 172.9583 32 P 4.9008 0.0000 0.0000 61.6731 32.0541 174.6329 33 P 4.1382 0.0000 0.0000 61.3778 31.8121 174.4954 34 P 4.1153 0.0000 0.0000 62.8326 32.0824 175.8133 35 V 3.9104 8.2706 123.3069 62.0846 32.9308 174.8291 36 K 4.4006 8.6329 129.6724 55.8445 33.0300 175.5655 37 D 4.6252 8.8943 128.2058 52.8088 43.4924 177.0310 38 G 3.8610 8.2708 119.4280 46.8852 0.0000 174.3951 39 R 4.2808 8.8907 121.4622 55.4254 30.3775 175.5570 40 E 4.6709 7.6515 117.0123 54.4178 32.0159 174.6295 41 Y 4.8113 8.3359 118.4665 57.9620 39.2401 174.8039 42 L 5.1221 9.1452 123.8595 53.1667 44.5681 175.3284 43 F 4.9691 9.8770 123.9640 55.8176 41.2291 175.7614 44 H 4.3028 8.8586 120.1343 55.6985 29.3836 176.3100 45 E 4.1416 8.9812 122.7678 59.7700 29.3761 178.6837 46 S 4.3541 8.1105 110.0919 59.2055 63.6197 174.0157 47 A 4.4330 7.9143 124.2603 53.0716 18.5042 177.3801 48 V 4.8973 9.1769 115.2589 59.3683 36.2440 174.5270 49 K 4.8067 8.8339 123.7652 55.7193 32.9882 176.2221 50 V 4.1975 8.7392 121.8195 60.2862 32.9191 176.1746 51 D 4.3946 8.5484 123.3069 54.6718 40.7812 176.2667 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 M 8.30 4.44 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 Y 8.57 4.57 0.00 2.98 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 3 L 9.49 5.15 0.00 1.72 1.72 1.09 0.81 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 4 T 8.93 4.65 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 1.33 0.00 0.00 5 L 9.04 3.43 0.00 2.06 1.85 1.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.09 4.01 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 E 8.13 3.98 0.00 2.23 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 2.35 0.00 8 W 8.78 4.14 0.00 3.09 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 9 N 8.63 4.08 0.00 3.09 2.97 0.00 0.00 7.18 7.73 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 10 A 7.89 3.97 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 11 R 7.27 4.11 0.00 1.74 1.81 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 12 Q 6.72 4.09 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 13 R 8.28 3.94 0.00 1.89 2.02 0.00 2.96 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 14 R 7.15 4.43 0.00 1.77 1.85 0.00 3.35 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 1.59 1.69 0.00 15 P 0.00 4.45 0.00 2.04 2.03 0.00 3.66 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 1.98 2.14 0.00 16 R 8.47 4.58 0.00 1.48 1.63 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 17 S 8.13 4.23 0.00 3.99 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 18 L 8.42 3.90 0.00 1.72 1.75 0.91 0.77 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 19 E 8.18 3.86 0.00 1.99 1.91 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 2.33 2.39 0.00 20 T 7.68 3.62 4.04 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 0.47 0.00 0.00 21 V 7.08 2.90 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 1.08 0.00 0.00 0.78 0.00 0.00 22 R 8.10 3.93 0.00 2.09 2.03 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 23 R 7.87 3.88 0.00 1.88 2.05 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 24 W 8.19 4.46 0.00 3.59 3.08 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 0.00 0.00 0.00 25 V 7.90 3.29 1.86 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 0.63 0.00 0.00 26 R 7.93 3.99 0.00 2.04 2.01 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 27 E 8.19 4.43 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 2.32 2.49 0.00 28 S 7.63 3.47 0.00 3.98 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 29 R 8.07 4.31 0.00 1.72 1.76 0.00 3.07 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 30 I 7.03 4.86 1.49 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 0.77 0.00 0.00 31 F 9.14 5.05 0.00 2.92 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 32 P 0.00 4.90 0.00 2.05 2.08 0.00 3.80 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 2.10 2.15 0.00 33 P 0.00 4.14 0.00 1.99 1.75 0.00 3.45 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 34 P 0.00 4.12 0.00 1.10 0.84 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.44 0.00 35 V 8.27 3.91 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 0.79 0.00 0.00 0.81 0.00 0.00 36 K 8.63 4.40 0.00 1.64 1.60 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.19 1.34 7.81 37 D 8.89 4.63 0.00 2.56 2.39 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 38 G 8.27 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 39 R 8.89 4.28 0.00 1.86 1.99 0.00 2.96 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 40 E 7.65 4.67 0.00 2.17 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 2.27 2.23 0.00 41 Y 8.34 4.81 0.00 3.08 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 42 L 9.15 5.12 0.00 1.30 1.52 0.81 1.07 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 43 F 9.88 4.97 0.00 3.12 2.95 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 44 H 8.86 4.30 0.00 3.33 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.98 4.14 0.00 2.00 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 2.39 2.40 0.00 46 S 8.11 4.35 0.00 4.04 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 47 A 7.91 4.43 1.59 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 0.00 0.00 48 V 9.18 4.90 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 0.88 0.00 0.00 1.06 0.00 0.00 49 K 8.83 4.81 0.00 1.89 1.69 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.78 7.81 50 V 8.74 4.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.20 0.00 0.00 51 D 8.55 4.39 0.00 2.64 2.53 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