NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3036 8.1849 122.4916 54.8350 42.1883 175.8397 8 T 3.8262 8.1095 119.8038 62.5902 69.3267 170.6528 9 E 4.7559 8.9592 124.8014 54.9430 32.7960 174.5865 10 Y 4.7846 8.2836 118.5320 56.7301 42.2908 174.3036 11 T 4.7313 8.3145 110.4928 60.1157 71.3272 173.6492 12 L 4.5405 8.1550 123.0950 53.7194 45.0586 174.5467 13 Q 4.6210 8.6987 126.5643 54.1827 30.7170 174.2252 14 A 4.7204 8.2502 126.4721 50.2860 22.5179 175.0524 15 N 4.5605 8.7443 118.6570 53.3599 39.9463 175.8492 16 W 4.0911 9.0899 133.5607 60.6426 30.9009 177.6596 17 F 4.3052 9.9343 115.8809 58.9879 38.5764 175.9326 18 D 4.7849 8.0324 120.3805 54.5688 41.3772 178.4447 19 I 3.6011 7.2637 121.1086 64.6013 37.1404 178.3156 20 T 3.8676 7.6525 110.1151 64.7244 68.4612 176.4853 21 G 3.6413 7.9606 108.1224 47.4954 0.0000 175.7382 22 I 3.7617 7.6895 122.1419 64.0910 36.9376 177.8883 23 L 3.9225 7.8663 120.1739 58.1227 42.0184 178.6613 24 W 4.2513 8.2869 127.8500 60.5227 30.7120 177.8127 25 L 3.8115 8.2268 118.9204 57.8687 40.9921 179.3241 26 L 4.0376 8.2688 119.1964 58.0094 41.4155 179.8595 27 G 3.5462 7.7006 105.0612 47.5440 0.0000 174.6261 28 Q 4.4978 7.2634 117.7622 55.6669 28.6908 176.4728 29 V 4.3311 6.8876 113.5960 61.3349 33.3079 175.4258 30 D 4.3782 7.9369 116.0557 53.9152 37.5405 177.4155 31 G 3.9999 8.1506 110.9770 46.4172 0.0000 174.5457 32 K 4.6217 7.9685 119.1446 52.5945 35.6171 175.3078 33 I 4.2280 8.1811 121.9211 60.5539 37.4069 176.2233 34 I 3.9015 8.3544 127.1340 63.5406 37.4267 175.6592 35 N 5.1135 7.6674 116.0969 51.9358 42.1459 173.3092 36 S 4.7835 8.2816 115.2643 56.7877 66.1850 172.5787 37 D 4.7429 8.3604 119.6644 52.9835 44.1769 174.2853 38 V 4.5364 8.1764 121.8590 61.0716 33.9599 174.9478 39 Q 4.3081 8.4524 124.1610 54.1590 32.6162 173.9767 40 A 4.5920 8.0821 124.7191 50.6970 20.6448 176.3855 41 F 4.9480 8.2995 119.0134 55.5264 42.9879 174.6081 42 V 4.1143 8.4723 122.8203 61.9536 32.3158 175.2162 43 L 4.7017 8.4421 126.8636 53.1150 43.1580 175.7343 44 L 4.7028 8.4189 122.5741 52.7674 44.2968 175.8141 45 R 4.4596 8.5778 122.9511 54.7915 30.9374 175.3784 46 V 4.4283 8.2215 117.7489 59.3807 34.5711 175.0857 47 A 4.6292 8.1524 123.3659 50.3460 21.4098 175.5276 48 L 4.6377 8.0149 121.5839 53.2546 43.8241 174.0169 49 P 4.3412 0.0000 0.0000 62.0785 32.0068 177.5110 50 A 3.9509 8.8250 123.3164 55.6316 17.9354 180.1166 51 A 3.9940 8.0211 117.2982 54.2815 18.7229 178.6906 52 K 4.3764 7.9943 115.6237 56.5676 32.7113 178.5093 53 V 3.6506 7.5720 119.7994 65.8717 31.2916 177.7721 54 A 3.9784 7.9181 119.9905 55.1252 18.4282 178.8720 55 E 3.8823 8.2345 117.4159 59.4329 29.6018 178.6740 56 F 4.1884 8.5395 120.6868 61.5384 39.4312 176.9707 57 S 3.9430 8.5843 112.9195 61.2086 62.0882 176.0432 58 A 3.9203 8.3094 123.7007 55.2660 18.2838 179.7799 59 K 3.9232 8.0220 116.8395 59.5075 31.6725 179.3821 60 L 4.0099 8.0922 120.7486 57.7452 41.8493 178.9352 61 A 4.0793 7.6789 120.8391 54.9738 18.1057 179.3250 62 D 4.2768 8.1425 117.4491 57.5994 40.7328 178.8974 63 F 4.2050 8.7092 120.8476 60.3329 39.7788 175.7183 64 S 4.4267 7.8805 112.7293 56.7658 62.9854 174.2159 65 G 4.0213 8.5844 107.4375 47.1218 0.0000 174.9134 66 G 3.8534 8.8104 107.4072 46.2856 0.0000 176.3074 67 S 4.3289 7.9426 116.2936 60.2917 62.7121 179.4287 68 L 4.0883 7.8459 120.9693 54.6988 41.7215 176.8901 69 Q 4.4095 8.4101 120.7378 53.9665 30.6359 174.5439 70 L 4.2539 8.6038 125.4520 54.2036 42.3809 175.4853 71 L 4.6761 8.3182 125.8561 52.8544 43.7560 176.1811 72 A 4.3261 8.3176 124.8347 51.5658 19.6337 177.0644 73 I 4.2082 8.2965 124.3077 60.6296 37.9628 176.7037 74 E 4.2839 8.6910 120.7705 55.8998 29.8207 172.2641 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 7 L 8.18 4.30 0.00 1.60 1.69 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.11 3.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 9 E 8.96 4.76 0.00 1.80 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 0.00 2.20 2.25 0.00 10 Y 8.28 4.78 0.00 2.84 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 11 T 8.31 4.73 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 12 L 8.15 4.54 0.00 1.58 1.55 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.70 4.62 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 14 A 8.25 4.72 1.23 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 0.00 0.00 15 N 8.74 4.56 0.00 2.95 2.82 0.00 0.00 6.64 7.95 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 16 W 9.09 4.09 0.00 3.36 3.06 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 0.00 0.00 0.00 17 F 9.93 4.31 0.00 3.21 3.18 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 18 D 8.03 4.78 0.00 2.91 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 19 I 7.26 3.60 1.55 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 1.59 0.76 0.77 0.00 0.00 20 T 7.65 3.87 4.16 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 0.99 0.00 0.00 21 G 7.96 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 22 I 7.69 3.76 2.05 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 1.42 0.84 0.92 0.00 0.00 23 L 7.87 3.92 0.00 1.88 1.96 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.29 4.25 0.00 3.52 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 25 L 8.23 3.81 0.00 1.94 1.71 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.27 4.04 0.00 2.01 1.71 0.91 1.13 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 27 G 7.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.26 4.50 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.29 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 29 V 6.89 4.33 2.04 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 0.63 0.00 0.00 0.95 0.00 0.00 30 D 7.94 4.38 0.00 2.76 2.57 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 0.00 0.00 0.00 0.00 31 G 8.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.62 0.00 1.72 1.51 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.01 7.81 33 I 8.18 4.23 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.92 0.00 0.00 34 I 8.35 3.90 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 1.31 0.74 0.91 0.00 0.00 35 N 7.67 5.11 0.00 2.62 2.63 0.00 0.00 6.71 7.63 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 36 S 8.28 4.78 0.00 3.97 3.77 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 0.00 0.00 0.00 0.00 37 D 8.36 4.74 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.18 4.54 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 0.92 0.00 0.00 1.00 0.00 0.00 39 Q 8.45 4.31 0.00 2.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 40 A 8.08 4.59 1.14 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 0.00 0.00 41 F 8.30 4.95 0.00 3.00 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 42 V 8.47 4.11 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 0.86 0.00 0.00 0.98 0.00 0.00 43 L 8.44 4.70 0.00 1.71 1.61 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.42 4.70 0.00 1.62 1.59 0.96 0.94 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 45 R 8.58 4.46 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 46 V 8.22 4.43 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 0.83 0.00 0.00 0.93 0.00 0.00 47 A 8.15 4.63 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 48 L 8.01 4.64 0.00 1.53 1.33 0.66 0.46 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 49 P 0.00 4.34 0.00 2.18 1.98 0.00 3.54 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 2.07 2.04 0.00 50 A 8.82 3.95 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 51 A 8.02 3.99 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 52 K 7.99 4.38 0.00 1.73 1.84 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 53 V 7.57 3.65 2.11 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 1.16 0.00 0.00 1.03 0.00 0.00 54 A 7.92 3.98 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 55 E 8.23 3.88 0.00 2.08 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 0.00 2.43 2.41 0.00 56 F 8.54 4.19 0.00 3.10 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 57 S 8.58 3.94 0.00 4.08 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 58 A 8.31 3.92 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 59 K 8.02 3.92 0.00 1.76 1.84 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 60 L 8.09 4.01 0.00 1.53 1.62 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.68 4.08 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 62 D 8.14 4.28 0.00 2.89 2.76 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 63 F 8.71 4.21 0.00 2.88 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 64 S 7.88 4.43 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 65 G 8.58 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 0.00 0.00 0.00 66 G 8.81 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 0.00 0.00 0.00 67 S 7.94 4.33 0.00 3.66 3.77 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 0.00 0.00 0.00 0.00 68 L 7.85 4.09 0.00 1.74 1.65 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.41 4.41 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.20 1.87 0.00 70 L 8.60 4.25 0.00 1.65 1.68 1.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.32 4.68 0.00 1.93 1.56 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.32 4.33 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 73 I 8.30 4.21 1.88 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 1.27 0.65 0.92 0.00 0.00 74 E 8.69 4.28 0.00 1.98 1.70 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 2.15 1.85 0.00