NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.7409 8.2893 120.3410 56.0067 33.4779 175.5472 2 T 4.1249 7.8822 104.4873 58.9019 69.0576 173.0016 3 F 4.6662 7.2995 119.7676 55.9363 38.7519 175.9615 4 I 3.2761 8.2779 126.8264 62.7121 34.7447 174.6846 5 T 4.4905 7.0612 112.9383 62.7495 69.1468 174.5791 6 K 3.6884 8.0949 120.3023 57.2980 32.3619 176.9541 7 T 4.1309 8.1440 117.8539 60.5852 68.2018 171.5699 8 P 4.6234 0.0000 0.0000 60.8247 32.8306 174.4623 9 P 4.4584 0.0000 0.0000 62.7145 33.0607 175.8574 10 A 3.7892 8.7644 119.0114 56.4929 17.9310 179.5229 11 A 3.9976 8.1283 115.3206 55.5647 18.3219 179.4649 12 V 3.8412 7.7488 113.5896 66.2293 31.6694 178.1393 13 L 3.8801 8.6485 119.6838 58.5675 41.5673 179.0192 14 L 3.9914 8.9424 119.7720 57.6156 41.6077 179.2307 15 K 3.8092 9.2452 120.5976 60.1706 31.8662 177.7454 16 K 4.1481 9.0740 121.1119 58.5558 32.0271 178.4519 17 A 4.0744 8.5330 123.7415 55.4231 18.8507 179.3716 18 A 4.2574 7.9621 118.5296 54.5592 18.3827 178.7301 19 G 4.3182 9.1743 105.2580 44.0074 0.0000 174.6803 20 I 2.9819 7.1719 113.0902 61.2695 38.9051 173.0152 21 E 4.0713 8.9696 115.9035 58.3292 29.8054 178.3657 22 S 6.0120 7.9807 129.3797 58.0685 65.1489 178.5881 23 G 3.9037 7.9097 110.4036 48.6070 0.0000 173.3741 24 S 4.2322 7.1891 115.4430 55.5715 63.6147 173.8450 25 G 4.3099 9.1909 113.2736 45.7473 0.0000 173.5126 26 E 4.6768 7.3547 117.5511 54.0368 29.8388 172.3351 27 P 4.6700 0.0000 0.0000 63.7454 33.7032 174.0039 28 N 4.9137 8.3421 113.9851 55.3880 45.7800 176.8653 29 R 3.6530 7.9059 114.8752 56.9509 30.4729 177.3159 30 N 4.3844 7.6184 112.8863 53.6598 38.0071 171.1143 31 K 3.8511 8.2181 123.0702 56.6784 28.8841 176.4433 32 V 4.5261 8.2659 113.4471 60.4634 33.6115 175.6781 33 A 4.3447 7.7261 122.2397 51.5557 22.4066 175.8494 34 T 4.4006 8.7400 121.0364 62.2301 68.9803 174.1328 35 I 4.4109 8.1466 120.0754 59.2118 40.7596 175.9457 36 K 5.0108 8.2106 125.6417 54.7283 34.9071 177.2892 37 R 3.9658 8.4566 118.9555 59.0074 29.7101 177.7086 38 D 4.4325 8.1140 118.2864 57.2842 40.6422 178.5423 39 K 3.9581 8.1848 119.1125 59.3764 32.4088 179.4999 40 V 3.6573 7.6464 117.2057 65.0347 31.4605 177.7309 41 R 3.8453 8.3492 119.3676 59.7191 29.9919 177.9974 42 E 3.9070 8.0675 117.6388 59.5047 29.5423 179.1319 43 I 3.6441 7.9145 119.8398 64.7946 37.2824 178.1559 44 A 3.9793 7.9971 121.0404 55.0998 17.9159 179.4939 45 E 3.9164 7.8900 116.3209 59.5433 29.6263 179.3569 46 L 4.1207 7.9937 117.9916 57.7018 42.0960 178.8757 47 K 4.2542 8.1273 117.1271 57.2364 31.7993 178.4118 48 M 4.0482 7.7373 118.6204 57.8812 33.4451 175.9099 49 P 4.6617 0.0000 0.0000 60.2177 29.5962 176.0701 50 D 5.6396 7.2586 133.0960 56.2795 40.9544 177.6653 51 L 4.3181 6.9948 121.0589 54.2092 42.9621 175.8662 52 N 4.7213 8.5372 118.3111 53.3125 38.6988 174.5655 53 A 4.0256 7.0645 118.5170 52.5811 18.8505 177.9938 54 A 4.6219 8.9545 119.7498 51.2059 20.3965 176.8882 55 S 4.9997 7.7679 114.6897 57.0993 65.0648 176.5639 56 I 3.6051 7.1948 119.7948 65.9156 36.6488 177.8542 57 E 3.9784 8.2381 119.0846 59.7131 29.6286 179.5802 58 A 3.9603 7.8669 120.1165 54.9426 18.4192 179.2589 59 A 3.9137 8.7977 120.5377 55.6592 18.3051 179.5208 60 M 3.6489 7.9505 116.3344 58.8546 32.3133 177.9690 61 R 4.2357 7.8598 118.8380 60.0219 30.2598 178.4877 62 M 4.1440 8.1348 117.8274 58.1151 31.7891 179.1201 63 I 3.6833 8.4736 120.7595 64.4690 37.5163 177.6116 64 E 4.0939 9.2910 121.4763 59.0049 29.3593 178.6553 65 G 3.9055 8.0981 105.1329 48.5725 0.0000 175.3958 66 T 3.8667 7.9756 117.6569 66.2763 68.3637 176.3732 67 A 4.0456 8.1938 122.8957 55.3797 18.1772 179.6390 68 R 3.9403 7.5045 114.6793 58.5242 30.1426 178.5884 69 S 4.2990 8.4344 112.8839 61.0264 62.5189 172.6144 70 M 4.5891 8.3635 119.0477 54.0028 35.3672 175.7188 71 G 4.6742 7.2754 107.6048 46.1454 0.0000 172.8134 72 I 4.7534 7.7466 122.4885 59.3081 35.4074 175.8350 73 V 3.8488 8.3271 126.3034 63.0241 33.5063 175.0630 74 V 5.3839 7.9802 123.0018 61.2205 33.7919 173.7214 75 E 4.7537 8.7122 127.2416 54.2695 32.7775 175.9906 76 D 4.4445 8.5178 120.3583 54.6625 41.3758 176.0408 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 8.29 3.74 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 2 T 7.88 4.12 4.26 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 1.24 0.00 0.00 3 F 7.30 4.67 0.00 3.23 3.28 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 0.00 4 I 8.28 3.28 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.93 0.00 0.00 5 T 7.06 4.49 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 1.02 0.00 0.00 6 K 8.09 3.69 0.00 1.67 1.74 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 7 T 8.14 4.13 4.20 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 1.19 0.00 0.00 8 P 0.00 4.62 0.00 2.21 2.05 0.00 3.79 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 1.96 1.93 0.00 9 P 0.00 4.46 0.00 2.28 2.20 0.00 3.72 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 2.06 2.02 0.00 10 A 8.76 3.79 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 A 8.13 4.00 1.30 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 0.00 0.00 12 V 7.75 3.84 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 0.97 0.00 0.00 0.92 0.00 0.00 13 L 8.65 3.88 0.00 1.75 1.76 0.90 0.71 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 14 L 8.94 3.99 0.00 1.74 1.66 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.25 3.81 0.00 1.63 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 16 K 9.07 4.15 0.00 1.70 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 17 A 8.53 4.07 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 18 A 7.96 4.26 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 19 G 9.17 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 0.00 0.00 0.00 0.00 20 I 7.17 2.98 1.87 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 1.35 0.65 0.97 0.00 0.00 21 E 8.97 4.07 0.00 2.09 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 0.00 2.28 2.34 0.00 22 S 7.98 6.01 0.00 3.99 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 23 G 7.91 3.90 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 0.00 0.00 0.00 24 S 7.19 4.23 0.00 3.84 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 25 G 9.19 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 26 E 7.35 4.68 0.00 1.87 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 2.18 2.22 0.00 27 P 0.00 4.67 0.00 2.22 2.08 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 28 N 8.34 4.91 0.00 2.80 2.81 0.00 0.00 6.89 7.66 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 29 R 7.91 3.65 0.00 1.80 1.98 0.00 3.44 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 30 N 7.62 4.38 0.00 2.82 3.05 0.00 0.00 7.06 7.49 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 31 K 8.22 3.85 0.00 1.88 1.95 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 32 V 8.27 4.53 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 0.62 0.00 0.00 0.93 0.00 0.00 33 A 7.73 4.34 1.22 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 0.00 0.00 34 T 8.74 4.40 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 1.27 0.00 0.00 35 I 8.15 4.41 1.87 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 1.13 0.90 0.91 0.00 0.00 36 K 8.21 5.01 0.00 1.84 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.45 7.81 37 R 8.46 3.97 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 38 D 8.11 4.43 0.00 2.72 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 39 K 8.18 3.96 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.65 3.66 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 0.98 0.00 0.00 0.93 0.00 0.00 41 R 8.35 3.85 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 42 E 8.07 3.91 0.00 2.13 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 0.00 2.33 2.49 0.00 43 I 7.91 3.64 1.99 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 1.45 0.69 0.90 0.00 0.00 44 A 8.00 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 3.92 0.00 2.13 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 0.00 2.34 2.35 0.00 46 L 7.99 4.12 0.00 1.69 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.13 4.25 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 48 M 7.74 4.05 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 49 P 0.00 4.66 0.00 2.16 2.09 0.00 3.97 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 2.04 1.97 0.00 50 D 7.26 5.64 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 6.99 4.32 0.00 1.82 1.52 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.54 4.72 0.00 2.69 2.77 0.00 0.00 6.90 7.96 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 53 A 7.06 4.03 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 54 A 8.95 4.62 1.25 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 55 S 7.77 5.00 0.00 3.98 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 56 I 7.19 3.61 1.87 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 1.64 1.41 0.91 0.00 0.00 57 E 8.24 3.98 0.00 2.00 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 0.00 2.40 2.39 0.00 58 A 7.87 3.96 1.38 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 0.00 0.00 59 A 8.80 3.91 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 60 M 7.95 3.65 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 61 R 7.86 4.24 0.00 2.16 1.88 0.00 3.14 0.00 0.00 3.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 62 M 8.13 4.14 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 63 I 8.47 3.68 1.91 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 1.46 0.66 0.91 0.00 0.00 64 E 9.29 4.09 0.00 2.04 1.87 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 2.30 2.33 0.00 65 G 8.10 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 0.00 0.00 0.00 66 T 7.98 3.87 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 1.23 0.00 0.00 67 A 8.19 4.05 1.41 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 68 R 7.50 3.94 0.00 1.95 2.01 0.00 3.16 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 69 S 8.43 4.30 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.36 4.59 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 71 G 7.28 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.75 1.87 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 1.30 0.49 0.91 0.00 0.00 73 V 8.33 3.85 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 0.85 0.00 0.00 0.93 0.00 0.00 74 V 7.98 5.38 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 1.07 0.00 0.00 0.96 0.00 0.00 75 E 8.71 4.75 0.00 1.94 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 2.30 2.27 0.00 76 D 8.52 4.44 0.00 2.61 2.54 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 0.00 0.00 0.00 0.00