NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2249 8.2649 123.5793 53.1801 19.9468 176.2211 6 D 4.2180 8.5257 119.2148 53.6444 38.5272 172.4681 7 T 4.3741 8.4416 109.4328 59.8185 71.4193 172.4612 8 P 4.4466 0.0000 0.0000 62.9425 32.0406 175.6591 9 T 4.5594 8.1115 113.6871 60.0193 69.7474 173.4391 10 A 4.4175 8.5341 130.8777 51.9953 19.4720 177.5411 11 C 4.8752 8.3956 118.5350 55.2214 44.2901 174.0837 12 C 4.7098 8.2719 119.7780 55.4620 41.2094 173.7966 13 F 4.4705 8.4776 121.9278 57.3004 40.5703 174.9169 14 S 4.4066 7.3806 113.0490 56.9022 65.9706 172.3420 15 Y 5.1523 7.9091 117.0044 55.8187 41.4805 175.7815 16 T 4.1202 8.4952 112.8105 62.3036 69.2956 174.8546 17 S 4.3643 8.8330 120.3396 60.9983 63.3122 174.8777 18 R 4.4559 7.5981 117.4986 53.9361 31.5812 175.8270 19 Q 2.0000 7.9700 122.5795 55.4683 29.2625 175.8837 20 I 3.7883 6.4792 126.4783 59.7494 38.1135 173.9904 21 P 3.8905 0.0000 0.0000 62.9381 31.6551 177.1429 22 Q 3.3080 8.5475 124.0404 58.6976 29.0555 177.1530 23 N 4.5906 7.7574 112.5589 53.8599 37.7651 175.2732 24 F 4.8554 8.1959 118.1732 58.1884 39.8035 175.2085 25 I 4.6741 7.5696 122.1706 59.9598 38.1288 175.0613 26 A 4.8000 8.7755 126.1026 53.0476 21.3668 175.8161 27 A 4.9077 7.9521 114.7024 51.7821 22.9073 174.5427 28 Y 5.4793 8.4917 116.6405 56.3286 41.5068 173.9680 29 F 4.2244 8.4709 112.9514 55.4577 41.6019 172.7418 30 E 4.5993 8.7821 122.7026 55.4498 30.1654 176.2158 31 T 4.2745 8.4325 117.9697 61.3469 69.8524 174.3461 32 S 4.1911 8.8198 117.8234 58.5906 62.8301 175.3268 33 S 4.3056 8.5921 120.8499 60.2570 62.9341 175.3448 34 Q 4.1159 8.0482 120.5081 58.8380 28.6955 176.4345 35 C 4.4437 7.9411 115.1512 56.7509 40.7249 174.2005 36 S 4.1220 8.6277 117.3330 60.2994 63.0263 174.4608 37 K 4.6892 7.4085 118.2390 53.1537 34.9457 173.8622 38 P 4.4682 0.0000 0.0000 63.0481 32.1859 175.8770 39 G 4.1068 7.6492 102.1458 45.7733 0.0000 172.6268 40 V 4.6542 8.2145 116.9651 59.1910 35.3006 174.5560 41 I 4.5680 7.9244 125.5352 59.6764 39.1408 174.6310 42 F 5.5145 8.9643 125.7478 55.8487 41.8064 174.3988 43 L 5.1922 9.1050 125.5885 53.6376 43.6996 176.2915 44 T 4.8170 9.2119 117.4105 61.1504 69.9495 175.9012 45 K 3.9986 8.7509 121.4605 59.2638 32.0881 178.4711 46 R 4.3329 7.9067 115.9887 55.8835 29.9043 176.3380 47 S 3.9491 8.1918 112.6916 59.4944 60.8710 170.6225 48 R 4.3845 7.9865 121.1678 55.8685 31.2753 174.9695 49 Q 5.1150 8.6824 125.0902 54.9099 30.2772 175.4373 50 V 4.6157 8.8637 117.1088 59.6544 35.8124 174.4395 51 C 5.0007 8.9465 122.2184 56.9164 42.1641 172.4743 52 A 5.1866 9.1149 123.8112 50.3175 23.2011 174.7159 53 D 3.6655 7.9862 119.5332 51.8777 41.4353 175.6959 54 P 4.1208 0.0000 0.0000 64.8013 31.5975 177.7575 55 S 4.1216 7.6931 115.0867 60.9976 63.2571 175.2954 56 E 4.0621 7.7775 120.6200 55.8165 31.0444 177.6297 57 E 3.9441 8.6298 123.0911 58.7513 29.8426 179.1650 58 W 4.2140 7.9927 116.7460 59.5264 28.0769 178.6523 59 V 3.0824 6.4156 112.6479 63.8531 30.9029 178.3618 60 Q 3.8578 7.6167 117.4074 58.6045 28.4042 178.7238 61 K 3.9595 8.4994 121.0767 59.8839 32.2887 178.5478 62 Y 4.1882 8.3529 117.0582 60.9123 37.7302 178.5668 63 V 2.9384 8.0726 119.3452 65.8228 31.5959 177.9182 64 S 4.0379 8.1412 112.8377 61.5200 62.3686 175.5109 65 D 4.4132 8.3037 121.7777 57.7400 40.4137 179.2384 66 L 4.0997 7.8517 117.6200 57.7896 41.9842 179.1558 67 E 4.2606 8.4064 118.5729 59.4484 29.3148 178.9874 68 L 4.3571 8.0043 116.4308 55.9183 42.0017 178.1952 69 S 4.3227 7.7742 112.6501 59.2885 63.4949 173.9227 70 A 4.1987 7.6921 130.9823 52.7403 18.8071 176.5349 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 5 A 8.26 4.22 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 6 D 8.53 4.22 0.00 2.88 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 7 T 8.44 4.37 4.22 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 1.19 0.00 0.00 8 P 0.00 4.45 0.00 2.08 2.05 0.00 3.62 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 2.04 2.08 0.00 9 T 8.11 4.56 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 1.22 0.00 0.00 10 A 8.53 4.42 1.45 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 0.00 0.00 0.00 11 C 8.40 4.88 0.00 2.75 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.71 0.00 2.83 2.80 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 0.00 0.00 0.00 0.00 13 F 8.48 4.47 0.00 2.99 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 14 S 7.38 4.41 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 5.15 0.00 2.99 2.83 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 16 T 8.50 4.12 4.51 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 1.33 0.00 0.00 17 S 8.83 4.36 0.00 3.92 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 18 R 7.60 4.46 0.00 1.73 1.71 0.00 3.34 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 19 Q 7.97 2.00 0.00 0.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 20 I 6.48 3.79 1.79 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 1.01 0.00 0.00 21 P 0.00 3.89 0.00 0.59 1.34 0.00 3.38 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.69 0.00 22 Q 8.55 3.31 0.00 1.46 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.01 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 23 N 7.76 4.59 0.00 2.88 2.84 0.00 0.00 5.99 7.43 0.00 0.00 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 F 8.20 4.86 0.00 3.16 3.04 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 0.00 25 I 7.57 4.67 1.83 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 1.20 0.72 1.00 0.00 0.00 26 A 8.78 4.80 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.95 4.91 1.33 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 0.00 0.00 0.00 28 Y 8.49 5.48 0.00 2.80 3.13 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 29 F 8.47 4.22 0.00 2.86 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 30 E 8.78 4.60 0.00 2.14 1.98 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 2.28 2.29 0.00 31 T 8.43 4.27 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 1.07 0.00 0.00 32 S 8.82 4.19 0.00 3.90 3.80 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 0.00 0.00 0.00 0.00 33 S 8.59 4.31 0.00 4.01 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 Q 8.05 4.12 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.94 4.44 0.00 2.97 2.86 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 36 S 8.63 4.12 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 4.69 0.00 1.78 1.77 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 38 P 0.00 4.47 0.00 2.12 2.02 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 39 G 7.65 4.11 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 0.00 40 V 8.21 4.65 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.05 0.00 0.00 41 I 7.92 4.57 0.92 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.31 0.78 0.00 0.00 42 F 8.96 5.51 0.00 3.15 3.05 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 43 L 9.10 5.19 0.00 1.86 1.67 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.21 4.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 45 K 8.75 4.00 0.00 1.76 1.92 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.62 7.81 46 R 7.91 4.33 0.00 1.75 1.91 0.00 3.24 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 47 S 8.19 3.95 0.00 4.03 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 48 R 7.99 4.38 0.00 1.93 1.83 0.00 3.13 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 49 Q 8.68 5.11 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 50 V 8.86 4.62 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 0.85 0.00 0.00 1.30 0.00 0.00 51 C 8.95 5.00 0.00 2.98 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 52 A 9.11 5.19 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 53 D 7.99 3.67 0.00 1.69 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 0.00 0.00 0.00 54 P 0.00 4.12 0.00 2.07 1.99 0.00 3.45 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 1.83 1.92 0.00 55 S 7.69 4.12 0.00 3.87 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 56 E 7.78 4.06 0.00 1.47 1.53 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 2.15 2.42 0.00 57 E 8.63 3.94 0.00 2.04 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 2.39 2.45 0.00 58 W 7.99 4.21 0.00 3.19 3.13 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 59 V 6.42 3.08 1.60 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 -1.11 0.00 0.00 0.66 0.00 0.00 60 Q 7.62 3.86 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 61 K 8.50 3.96 0.00 1.96 2.18 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.73 7.81 62 Y 8.35 4.19 0.00 3.15 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 63 V 8.07 2.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.53 0.00 0.00 64 S 8.14 4.04 0.00 3.90 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 65 D 8.30 4.41 0.00 2.90 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 66 L 7.85 4.10 0.00 1.76 1.95 1.24 0.92 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 67 E 8.41 4.26 0.00 2.17 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 2.68 2.64 0.00 68 L 8.00 4.36 0.00 1.68 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.77 4.32 0.00 4.07 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 70 A 7.69 4.20 1.45 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 0.00 0.00 0.00