NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2646 8.0276 122.4844 55.1110 43.2885 175.1851 2 T 4.8169 8.0084 113.0241 58.5832 71.2793 171.5644 3 Q 4.4850 9.5062 125.5807 54.0681 33.8621 175.1194 4 E 5.2444 8.6426 120.6558 55.4131 32.3489 175.2426 5 T 4.8588 8.8774 115.4465 60.8867 71.6951 172.3576 6 V 4.7386 9.0267 128.2116 61.2611 33.9561 174.2507 7 I 4.8373 8.4390 128.4795 59.3428 40.2389 174.6177 8 N 4.8721 9.0594 125.8169 53.2072 39.6487 174.2728 9 I 4.8286 8.4354 124.9729 59.7249 39.5062 174.4915 10 D 4.6970 9.1645 127.8204 53.6467 43.2349 177.0717 11 G 3.9739 8.9839 112.4097 45.8552 0.0000 174.8754 12 M 4.2354 7.6099 120.0893 55.1716 29.5911 175.1009 13 T 4.0343 8.0039 117.0167 63.3987 67.8212 174.6987 14 C 3.9768 8.4344 123.8481 58.9853 31.9377 173.6502 15 N 4.3509 8.6104 119.6060 56.1149 37.8129 177.5482 16 S 4.1217 8.1191 115.4567 61.8679 62.8125 176.3584 17 C 4.1178 7.9643 120.6515 62.0365 27.8446 176.0059 18 V 3.4065 7.6931 119.2881 66.1634 30.9477 177.6023 19 Q 3.8917 8.2546 119.2123 59.1379 28.8822 178.0053 20 S 4.0696 8.1362 114.0874 61.5435 62.3655 175.9828 21 I 3.6239 7.8036 122.4994 64.4006 36.8715 177.7109 22 E 3.9743 8.2694 120.0185 59.3912 29.2051 179.1068 23 G 3.5977 8.0350 104.1465 47.8204 0.0000 175.4230 24 V 3.7571 7.8779 121.3828 65.7453 31.6643 178.1950 25 I 3.7228 8.0112 119.7159 64.3284 36.6643 178.1143 26 S 4.1310 7.9981 113.2876 61.2814 62.2137 175.7147 27 K 4.2895 7.6503 117.8433 55.7619 32.8091 177.3191 28 K 4.1895 7.5603 120.5683 55.1079 32.7048 174.7217 29 P 4.2949 0.0000 0.0000 64.7444 32.0698 174.6875 30 G 4.3130 9.1094 110.8835 45.6836 0.0000 174.0663 31 V 4.1877 7.2731 118.4313 62.6307 32.2334 173.1877 32 K 4.4375 8.6591 124.9625 56.3901 33.9057 176.7406 33 S 4.7196 8.4544 116.2752 58.1632 66.1214 174.2075 34 I 4.9516 7.9995 120.5404 59.9179 41.2828 174.1737 35 R 4.6102 9.0539 127.2447 54.5879 33.4320 174.5110 36 V 4.4510 8.9690 125.8585 61.5271 32.6237 174.9670 37 S 4.5872 8.6488 124.0392 56.7266 63.6280 174.7050 38 L 3.8681 8.6963 129.2100 58.1014 42.4460 178.3988 39 A 3.9631 8.1711 119.9984 55.3386 18.1854 177.9962 40 N 4.5104 7.9678 109.5290 53.1164 39.7378 175.1615 41 S 3.7427 7.7858 114.9009 58.6576 60.9751 170.3701 42 N 5.3299 8.3366 116.4077 51.9258 41.8757 175.1087 43 G 4.2469 9.1450 107.4549 44.9375 0.0000 172.6573 44 T 4.9825 8.8355 124.4396 62.2520 69.6963 173.6998 45 V 4.6279 8.7029 127.5003 60.9141 33.9491 173.8024 46 E 5.2508 9.0948 129.3822 54.8881 31.3458 174.1966 47 Y 5.0463 8.5650 124.1181 55.7449 42.6952 173.1839 48 D 4.8823 8.4798 119.8710 51.5830 40.9891 175.0434 49 P 4.8524 0.0000 0.0000 65.1494 31.6060 178.6979 50 L 4.2269 8.2942 116.8694 57.0426 41.8408 178.0575 51 L 4.4024 7.4172 114.4942 56.2335 42.6211 175.9220 52 T 4.7056 8.1050 111.1653 60.0569 70.9317 171.7081 53 S 4.5765 7.9525 116.4491 55.0767 67.0554 172.9187 54 P 3.9479 0.0000 0.0000 65.8153 30.9913 178.7719 55 E 3.9249 8.0371 115.6585 59.6565 29.4065 179.2178 56 T 3.8192 7.4995 115.2502 66.3103 68.4893 176.6957 57 L 3.8907 7.8984 120.9636 57.7084 41.5620 179.2938 58 R 3.9570 8.2253 119.1021 59.5558 29.8493 178.5046 59 G 3.6614 8.1727 105.0795 47.8323 0.0000 175.4268 60 A 3.9965 8.1816 123.3888 54.9685 18.4597 179.7704 61 I 3.7469 7.9342 118.4560 64.5462 37.1597 178.3061 62 E 4.2267 8.5177 121.8316 58.7762 29.2375 178.3508 63 D 4.4037 8.2014 117.3884 57.5203 41.3560 177.7435 64 M 4.2411 8.0499 118.4158 59.1700 33.3065 175.9404 65 G 3.3726 6.8138 105.1513 46.1339 0.0000 173.3414 66 F 4.7634 7.4333 117.2404 55.6553 44.5934 175.9159 67 D 4.8278 9.0884 122.2631 54.0948 40.6304 173.6270 68 A 5.1712 8.3027 125.9042 50.4831 21.0112 176.2083 69 T 4.6653 8.7902 118.3375 61.5130 73.3517 173.5447 70 L 4.2254 8.6815 126.3165 55.6060 41.7180 176.3797 71 S 4.5034 8.9403 119.1964 59.7300 63.6919 173.5085 72 D 4.2257 7.6847 123.1367 54.6361 41.0070 174.3746 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 L 8.03 4.26 0.00 1.71 1.74 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.01 4.82 4.25 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 1.20 0.00 0.00 3 Q 9.51 4.49 0.00 1.13 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.36 0.00 4 E 8.64 5.24 0.00 1.85 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 2.23 2.24 0.00 5 T 8.88 4.86 4.41 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 1.18 0.00 0.00 6 V 9.03 4.74 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 1.08 0.00 0.00 0.95 0.00 0.00 7 I 8.44 4.84 1.85 0.00 0.00 0.79 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 0.62 0.90 0.00 0.00 8 N 9.06 4.87 0.00 2.66 2.75 0.00 0.00 6.34 6.95 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 9 I 8.44 4.83 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.88 0.00 0.00 10 D 9.16 4.70 0.00 2.82 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 11 G 8.98 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 12 M 7.61 4.24 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.08 0.00 13 T 8.00 4.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 C 8.43 3.98 0.00 3.16 2.97 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 15 N 8.61 4.35 0.00 2.76 2.86 0.00 0.00 6.54 7.56 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 16 S 8.12 4.12 0.00 4.06 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 0.00 17 C 7.96 4.12 0.00 3.13 2.78 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 18 V 7.69 3.41 2.18 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 0.95 0.00 0.00 0.92 0.00 0.00 19 Q 8.25 3.89 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 20 S 8.14 4.07 0.00 4.05 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 21 I 7.80 3.62 1.79 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.16 0.80 0.00 0.00 22 E 8.27 3.97 0.00 2.09 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 2.30 2.33 0.00 23 G 8.03 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 0.00 0.00 0.00 24 V 7.88 3.76 2.18 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 1.00 0.00 0.00 0.99 0.00 0.00 25 I 8.01 3.72 1.93 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 1.53 0.95 0.91 0.00 0.00 26 S 8.00 4.13 0.00 4.00 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 27 K 7.65 4.29 0.00 1.94 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.60 7.81 28 K 7.56 4.19 0.00 1.93 1.73 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.56 7.81 29 P 0.00 4.29 0.00 2.05 2.04 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 30 G 9.11 4.31 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 0.00 31 V 7.27 4.19 2.30 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 0.86 0.00 0.00 1.01 0.00 0.00 32 K 8.66 4.44 0.00 1.78 1.58 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.47 7.81 33 S 8.45 4.72 0.00 3.90 3.98 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 34 I 8.00 4.95 1.89 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 1.33 0.88 0.95 0.00 0.00 35 R 9.05 4.61 0.00 1.72 1.79 0.00 3.32 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 V 8.97 4.45 2.02 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 0.74 0.00 0.00 0.88 0.00 0.00 37 S 8.65 4.59 0.00 3.93 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 38 L 8.70 3.87 0.00 1.73 1.62 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.17 3.96 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 40 N 7.97 4.51 0.00 2.89 2.86 0.00 0.00 7.20 7.16 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 41 S 7.79 3.74 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 42 N 8.34 5.33 0.00 2.94 2.98 0.00 0.00 6.73 6.54 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 43 G 9.15 4.25 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 0.00 44 T 8.84 4.98 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 45 V 8.70 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 0.95 0.00 0.00 0.98 0.00 0.00 46 E 9.09 5.25 0.00 2.06 1.90 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 2.19 2.36 0.00 47 Y 8.57 5.05 0.00 3.04 3.03 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 48 D 8.48 4.88 0.00 2.76 2.62 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 P 0.00 4.85 0.00 2.23 2.19 0.00 3.82 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 50 L 8.29 4.23 0.00 1.74 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.42 4.40 0.00 1.81 1.75 0.94 0.76 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 52 T 8.11 4.71 4.41 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 1.31 0.00 0.00 53 S 7.95 4.58 0.00 4.01 3.91 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 54 P 0.00 3.95 0.00 2.11 2.06 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 55 E 8.04 3.92 0.00 2.16 2.18 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 2.33 2.37 0.00 56 T 7.50 3.82 4.30 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 1.19 0.00 0.00 57 L 7.90 3.89 0.00 1.68 1.62 0.48 0.63 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 58 R 8.23 3.96 0.00 1.87 2.14 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 59 G 8.17 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 60 A 8.18 4.00 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 61 I 7.93 3.75 2.04 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 0.80 1.03 0.00 0.00 62 E 8.52 4.23 0.00 2.12 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 0.00 2.30 2.17 0.00 63 D 8.20 4.40 0.00 2.76 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 64 M 8.05 4.24 0.00 2.26 2.51 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.64 0.00 65 G 6.81 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 0.00 0.00 0.00 66 F 7.43 4.76 0.00 2.96 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 67 D 9.09 4.83 0.00 2.86 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 68 A 8.30 5.17 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.79 4.67 4.25 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 1.21 0.00 0.00 70 L 8.68 4.23 0.00 1.52 1.61 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.94 4.50 0.00 3.98 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 72 D 7.68 4.23 0.00 2.75 2.42 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