NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3642 8.3049 120.3128 54.6199 34.4610 175.2883 2 L 4.4011 7.2939 117.7795 52.7959 44.2096 172.4878 3 E 4.7803 8.3546 119.1999 54.7743 33.8000 175.1549 4 G 4.4937 8.6452 108.1559 45.1907 0.0000 171.5372 5 K 4.9574 8.6063 120.6831 54.2451 34.5093 176.2669 6 V 3.9629 8.3542 125.2753 63.2965 31.7792 176.5312 7 K 4.1605 10.3294 131.0664 59.2050 32.8323 176.1974 8 W 5.2687 8.3076 127.4950 56.9788 34.3180 172.7615 9 F 3.1114 6.0349 115.6275 55.0006 40.0933 172.7002 10 N 4.3313 7.4736 120.5646 51.7789 40.2583 175.8122 11 S 4.3580 8.3761 119.5740 59.8950 63.7971 174.8787 12 E 4.0278 8.0777 121.9085 58.7881 29.5361 177.4330 13 K 4.2955 8.5328 116.5295 55.8588 33.6797 175.6049 14 G 3.7625 9.5092 107.7562 44.7763 0.0000 171.7677 15 F 4.9252 8.1066 115.3166 56.5623 42.4186 174.7569 16 G 4.2713 8.1352 104.5873 46.4176 0.0000 172.1663 17 F 5.2214 9.3857 119.3022 56.6033 40.9445 175.2369 18 I 4.6744 9.1323 123.2885 59.5992 41.0976 174.2966 19 E 4.7238 9.5842 125.7927 54.6658 31.7476 175.2410 20 V 4.2777 8.4172 128.6663 61.4112 32.7542 174.8879 21 E 4.2189 8.8587 128.7529 60.1883 29.2435 175.8703 22 G 4.0188 8.6534 115.8311 45.4605 0.0000 173.0288 23 Q 4.7145 7.7829 116.9255 53.2830 31.7953 175.2115 24 D 4.6416 8.4853 119.0292 54.6656 41.0968 175.9041 25 D 4.6839 8.5008 119.2077 54.7845 41.8574 176.4153 26 V 4.5783 8.5433 122.7407 61.0504 33.8367 174.9054 27 F 4.8894 9.2325 130.6604 58.1725 41.2049 174.0570 28 V 4.0050 7.0319 122.1036 60.9400 34.8694 173.6883 29 H 5.2143 8.0795 126.1786 54.1071 32.6990 174.4496 30 F 4.3052 8.9102 118.8045 59.3222 37.3951 177.7723 31 S 3.7010 5.8100 113.8506 59.6626 62.2819 174.6664 32 A 4.1150 8.1203 122.6516 53.3439 18.5305 176.7842 33 I 4.8645 7.6363 116.7839 59.4051 39.4906 175.0091 34 Q 4.5210 9.3326 121.8438 53.5740 29.9231 174.9707 35 G 4.0856 8.6471 116.6311 45.1314 0.0000 172.9744 36 E 3.8781 8.0421 125.4776 59.0872 30.0013 178.2081 37 G 3.4145 6.9981 106.3422 43.7507 0.0000 174.0354 38 F 5.6679 7.0259 123.5258 57.3707 39.9730 175.5476 39 K 4.2757 7.9755 120.1772 59.6425 32.7829 178.2036 40 T 4.0338 7.1958 106.7702 61.1624 68.7196 174.4089 41 L 3.9828 8.1535 126.9289 54.1316 42.6328 176.0731 42 E 2.9968 7.9088 122.0201 53.9192 30.1522 175.0569 43 E 4.0087 7.8581 126.3027 58.2760 29.8744 177.1974 44 G 3.9493 9.7710 115.5707 45.0147 0.0000 172.8931 45 Q 4.2219 8.3899 122.6897 55.4677 30.2234 174.9505 46 A 4.7652 8.5511 128.1642 52.1759 20.3524 176.3806 47 V 4.8763 8.5263 112.7093 60.5976 37.2286 173.4956 48 S 4.9567 9.2158 116.3739 56.2892 65.7675 172.6546 49 F 5.5196 7.0685 119.2820 57.1963 41.2711 172.1616 50 E 5.0680 8.5517 118.6123 54.7185 32.5588 175.4080 51 I 4.7680 8.3949 122.9500 60.8810 38.4526 175.5607 52 V 4.4343 8.5044 120.8673 59.1437 34.1214 174.8522 53 E 4.2811 9.0155 127.2106 56.2859 30.1136 176.0464 54 G 4.2369 8.9853 115.2690 43.1943 0.0000 172.4148 55 N 4.1609 8.8005 117.7586 56.8051 38.9488 176.2307 56 R 4.0106 8.0574 115.8571 58.0795 31.2245 177.1193 57 G 3.8287 7.1701 106.7264 44.1345 0.0000 170.2552 58 P 4.7480 0.0000 0.0000 63.0585 32.5966 176.1511 59 Q 5.4677 8.9309 122.0615 53.8779 32.9650 174.2008 60 A 4.6199 8.9714 123.6995 51.1756 19.5948 176.8841 61 A 4.5285 9.2641 124.8162 50.3828 22.4328 175.4779 62 N 4.3417 8.4345 115.1726 54.6176 37.0524 172.9845 63 V 4.7194 8.5336 120.7385 62.8224 33.7303 175.2159 64 T 4.6472 9.1498 125.0135 61.3412 71.0098 173.6968 65 K 4.3119 8.7641 126.8161 56.8429 32.4276 176.5129 66 E 4.6650 9.1139 124.9736 53.6880 32.6075 176.3990 67 A 4.0829 8.3994 122.3488 52.8180 18.4104 177.6018 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 4.36 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 L 7.29 4.40 0.00 1.45 1.38 1.08 0.47 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 3 E 8.35 4.78 0.00 1.67 1.69 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 2.17 2.11 0.00 4 G 8.65 4.49 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 0.00 5 K 8.61 4.96 0.00 1.81 1.76 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 6 V 8.35 3.96 2.26 0.00 0.00 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 0.92 0.00 0.00 7 K 10.33 4.16 0.00 1.95 2.21 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.70 7.81 8 W 8.31 5.27 0.00 3.56 3.15 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 9 F 6.03 3.11 0.00 2.61 2.46 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 0.00 10 N 7.47 4.33 0.00 2.39 1.96 0.00 0.00 7.50 7.34 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 11 S 8.38 4.36 0.00 4.03 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 12 E 8.08 4.03 0.00 2.03 2.22 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 2.40 2.50 0.00 13 K 8.53 4.30 0.00 1.88 1.92 0.00 1.23 0.00 0.00 1.51 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.77 7.81 14 G 9.51 3.76 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 0.00 0.00 0.00 15 F 8.11 4.93 0.00 3.37 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 16 G 8.14 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 0.00 0.00 0.00 0.00 17 F 9.39 5.22 0.00 3.29 3.15 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 18 I 9.13 4.67 1.90 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 1.17 0.71 1.26 0.00 0.00 19 E 9.58 4.72 0.00 2.07 1.89 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 2.26 2.28 0.00 20 V 8.42 4.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.29 0.00 0.00 21 E 8.86 4.22 0.00 2.01 1.94 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 2.35 2.28 0.00 22 G 8.65 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 23 Q 7.78 4.71 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 24 D 8.49 4.64 0.00 2.71 2.71 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 25 D 8.50 4.68 0.00 2.61 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 26 V 8.54 4.58 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 0.59 0.00 0.00 1.14 0.00 0.00 27 F 9.23 4.89 0.00 3.62 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 28 V 7.03 4.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.56 0.00 0.00 29 H 8.08 5.21 0.00 3.56 3.04 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.91 4.31 0.00 3.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 5.81 3.70 0.00 2.72 3.37 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 32 A 8.12 4.12 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 33 I 7.64 4.86 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.91 0.00 0.00 34 Q 9.33 4.52 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.56 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 35 G 8.65 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.04 3.88 0.00 1.87 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 2.34 2.32 0.00 37 G 7.00 3.41 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 0.00 38 F 7.03 5.67 0.00 3.17 3.30 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 39 K 7.98 4.28 0.00 1.90 2.13 0.00 1.97 0.00 0.00 2.29 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.59 7.81 40 T 7.20 4.03 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 1.27 0.00 0.00 41 L 8.15 3.98 0.00 1.43 1.41 0.85 0.82 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 42 E 7.91 3.00 0.00 1.69 1.55 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 2.07 2.00 0.00 43 E 7.86 4.01 0.00 2.27 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 2.40 2.69 0.00 44 G 9.77 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 45 Q 8.39 4.22 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 46 A 8.55 4.77 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 47 V 8.53 4.88 2.27 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 0.87 0.00 0.00 1.21 0.00 0.00 48 S 9.22 4.96 0.00 3.96 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 49 F 7.07 5.52 0.00 3.43 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 50 E 8.55 5.07 0.00 2.01 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 0.00 2.25 2.30 0.00 51 I 8.39 4.77 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.98 0.00 0.00 52 V 8.50 4.43 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 0.80 0.00 0.00 1.06 0.00 0.00 53 E 9.02 4.28 0.00 2.00 1.89 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 2.30 2.34 0.00 54 G 8.99 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 0.00 0.00 0.00 0.00 55 N 8.80 4.16 0.00 2.65 2.83 0.00 0.00 6.95 7.62 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 56 R 8.06 4.01 0.00 1.69 1.91 0.00 3.10 0.00 0.00 2.86 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 57 G 7.17 3.83 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 0.00 0.00 0.00 58 P 0.00 4.75 0.00 2.22 2.27 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.05 0.00 59 Q 8.93 5.47 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 60 A 8.97 4.62 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.26 4.53 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 62 N 8.43 4.34 0.00 2.91 2.78 0.00 0.00 6.69 7.72 0.00 0.00 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 V 8.53 4.72 2.22 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 0.88 0.00 0.00 0.92 0.00 0.00 64 T 9.15 4.65 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 1.19 0.00 0.00 65 K 8.76 4.31 0.00 1.46 1.62 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.39 7.81 66 E 9.11 4.66 0.00 1.77 1.81 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 2.20 2.43 0.00 67 A 8.40 4.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00