NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4220 8.3044 120.3636 54.6798 34.0373 175.3966 2 I 3.3021 7.7873 116.0096 60.7569 39.4442 167.1927 3 V 3.3368 7.5563 127.4439 61.1462 32.6938 173.3672 4 P 4.2902 0.0000 0.0000 63.2610 32.1086 175.5506 5 V 3.8350 8.3734 123.3544 63.7089 32.2635 171.7859 6 R 3.8475 8.8762 134.0479 55.3216 30.5560 175.5688 7 C 3.9366 8.4017 122.9585 59.2303 31.9862 174.1402 8 F 4.4406 8.2238 126.5450 60.7519 38.9120 176.8624 9 S 4.5121 8.2065 113.4987 60.1552 63.8127 174.6536 10 C 4.2956 7.9164 114.0624 58.2772 30.5080 174.5271 11 G 3.9952 7.9584 106.6500 44.6720 0.0000 173.6079 12 K 3.8521 8.0449 121.9809 56.0566 32.4447 175.5477 13 V 3.7503 8.4791 119.8231 62.4906 31.7879 176.0041 14 V 4.1639 8.4183 118.1713 61.8437 33.2022 178.3918 15 G 3.8790 7.5880 108.0797 48.7598 0.0000 173.8104 16 D 4.7627 8.0807 116.2194 53.4185 39.5933 176.6558 17 K 4.5725 7.9755 118.4555 56.2708 34.4039 178.1427 18 W 4.5439 8.6768 129.0404 61.7796 30.4131 176.7458 19 E 3.5378 8.4483 115.8613 60.3259 29.2047 178.4419 20 S 4.3433 7.8591 118.1844 60.7999 63.5261 175.5603 21 Y 4.4028 7.9029 123.4586 60.3174 38.5688 176.9151 22 L 3.3483 7.3645 119.3890 57.8272 41.6973 179.3988 23 N 4.1957 7.5966 115.5312 56.4786 38.4510 176.6900 24 L 4.0399 8.1009 121.7511 57.3552 42.2593 178.7865 25 L 3.9281 7.4388 118.7665 57.1644 41.6145 178.5635 26 Q 3.8926 7.3785 118.2124 58.9903 29.3421 177.2936 27 E 4.1629 7.8774 117.7976 58.2179 29.8368 177.2495 28 D 4.6103 7.9247 115.8945 53.4736 41.9785 176.1635 29 E 4.2195 7.9725 116.2683 56.8562 26.6481 174.5111 30 L 4.3766 7.3630 118.1522 54.2101 43.0335 176.4634 31 D 4.9438 7.8803 118.7878 51.9433 42.1080 177.3397 32 E 4.1929 8.7456 121.6443 59.8341 29.5282 180.2537 33 G 3.6604 8.2350 105.1424 48.1323 0.0000 175.6342 34 T 4.0021 7.8602 110.8471 63.2085 68.2805 175.7138 35 A 4.3304 8.1147 123.6181 53.9821 19.0946 178.9346 36 L 4.1661 7.5683 116.8888 57.5978 41.8094 178.3728 37 S 4.1157 8.4169 115.8018 61.2861 62.4547 176.1639 38 R 3.5924 7.8723 123.8175 59.3291 30.1131 177.6649 39 L 4.2122 7.5912 114.6293 54.3981 42.5111 175.9128 40 G 3.5956 8.6396 106.8128 46.6016 0.0000 175.0123 41 L 4.6263 7.9538 116.8847 52.9209 44.0008 176.6496 42 K 4.3256 8.6240 122.4432 58.0138 34.4199 177.1922 43 R 3.7695 7.7116 118.4474 55.5762 29.5143 176.6929 44 Y 4.4034 7.7723 122.2791 58.9941 38.0412 177.2788 45 C 4.2915 7.6912 116.7651 61.6738 28.9050 175.2311 46 C 4.1611 8.0713 118.5247 61.7666 27.8815 176.2983 47 R 3.9289 7.8068 120.0749 59.1924 30.0381 178.5819 48 R 3.9477 8.7138 116.2924 59.7962 28.7753 178.3191 49 M 3.8248 7.2942 118.3124 58.1303 32.1446 177.9548 50 I 4.1006 6.9679 115.3387 63.2728 37.9019 178.0112 51 L 4.0965 7.5174 119.4293 58.5867 42.0680 178.9486 52 T 4.0458 7.3683 113.3758 65.2893 68.5722 174.5363 53 H 4.1413 7.3978 121.1446 55.8845 30.2814 174.2778 54 V 4.2214 7.9501 126.2053 61.2362 33.1622 175.6788 55 D 4.6795 8.2885 128.1017 52.8702 39.7831 175.5854 56 L 4.1429 8.0471 123.2929 56.6394 42.8757 179.1513 57 I 4.2139 8.5546 118.8233 65.0189 37.4744 177.3101 58 E 3.9685 8.3349 116.9630 59.4955 29.6803 179.1884 59 K 4.2037 8.5237 118.5329 58.8837 32.0056 179.1601 60 F 4.4546 8.1694 118.1161 60.6330 38.5681 177.6780 61 L 4.2046 8.1125 117.5668 57.5050 41.6158 178.7070 62 R 4.0571 7.7295 117.7383 58.2291 29.9892 176.2374 63 Y 4.1101 7.3916 116.4646 57.1727 38.4824 174.7897 64 N 4.4592 9.1066 124.4619 56.0377 39.3712 172.6498 65 P 4.4653 0.0000 0.0000 63.0262 31.3154 175.7895 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 4.42 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 2 I 7.79 3.30 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.88 0.00 0.00 3 V 7.56 3.34 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 0.70 0.00 0.00 -0.47 0.00 0.00 4 P 0.00 4.29 0.00 1.98 2.17 0.00 3.28 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 1.78 1.73 0.00 5 V 8.37 3.84 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 0.79 0.00 0.00 0.93 0.00 0.00 6 R 8.88 3.85 0.00 2.02 1.99 0.00 3.27 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 7 C 8.40 3.94 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.22 4.44 0.00 3.05 3.02 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 9 S 8.21 4.51 0.00 3.99 4.04 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 10 C 7.92 4.30 0.00 3.06 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 11 G 7.96 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 12 K 8.04 3.85 0.00 1.77 1.68 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.45 7.81 13 V 8.48 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 14 V 8.42 4.16 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 0.89 0.00 0.00 0.90 0.00 0.00 15 G 7.59 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 0.00 0.00 0.00 16 D 8.08 4.76 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 17 K 7.98 4.57 0.00 1.96 1.88 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.50 7.81 18 W 8.68 4.54 0.00 3.35 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 19 E 8.45 3.54 0.00 2.20 1.86 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 2.43 2.54 0.00 20 S 7.86 4.34 0.00 3.93 3.93 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 0.00 0.00 0.00 21 Y 7.90 4.40 0.00 3.14 2.89 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 22 L 7.36 3.35 0.00 1.42 1.40 -1.02 -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 0.00 0.00 0.00 0.00 23 N 7.60 4.20 0.00 2.90 2.74 0.00 0.00 6.77 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 24 L 8.10 4.04 0.00 2.03 1.63 0.97 0.62 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 25 L 7.44 3.93 0.00 1.52 1.45 0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.38 3.89 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 E 7.88 4.16 0.00 2.16 1.95 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 2.29 2.29 0.00 28 D 7.92 4.61 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 4.22 0.00 2.10 2.03 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 2.17 2.24 0.00 30 L 7.36 4.38 0.00 1.81 1.63 0.93 0.94 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 31 D 7.88 4.94 0.00 3.00 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 32 E 8.75 4.19 0.00 2.15 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 0.00 2.55 2.68 0.00 33 G 8.23 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 34 T 7.86 4.00 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 1.23 0.00 0.00 35 A 8.11 4.33 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.57 4.17 0.00 1.90 1.70 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.42 4.12 0.00 4.06 3.84 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 38 R 7.87 3.59 0.00 1.96 2.03 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 39 L 7.59 4.21 0.00 1.70 1.70 1.02 0.93 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 40 G 8.64 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 41 L 7.95 4.63 0.00 1.62 1.56 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.62 4.33 0.00 1.83 1.89 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 43 R 7.71 3.77 0.00 1.74 1.99 0.00 2.89 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 44 Y 7.77 4.40 0.00 3.23 3.34 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 45 C 7.69 4.29 0.00 3.19 3.24 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 46 C 8.07 4.16 0.00 3.14 2.96 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 0.00 0.00 0.00 47 R 7.81 3.93 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 48 R 8.71 3.95 0.00 2.05 2.38 0.00 2.83 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 49 M 7.29 3.82 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 50 I 6.97 4.10 1.65 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 1.30 1.56 0.51 0.00 0.00 51 L 7.52 4.10 0.00 1.78 1.72 1.06 0.87 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 52 T 7.37 4.05 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 1.23 0.00 0.00 53 H 7.40 4.14 0.00 3.02 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.95 4.22 2.03 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 0.85 0.00 0.00 0.98 0.00 0.00 55 D 8.29 4.68 0.00 2.86 2.88 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 56 L 8.05 4.14 0.00 2.09 1.67 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.55 4.21 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.36 1.11 0.00 0.00 58 E 8.33 3.97 0.00 2.17 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 2.55 2.61 0.00 59 K 8.52 4.20 0.00 1.54 1.73 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 60 F 8.17 4.45 0.00 3.26 3.11 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 61 L 8.11 4.20 0.00 1.71 1.81 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.73 4.06 0.00 1.96 2.07 0.00 3.27 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 63 Y 7.39 4.11 0.00 3.23 2.98 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 64 N 9.11 4.46 0.00 2.67 2.88 0.00 0.00 7.23 7.69 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 65 P 0.00 4.47 0.00 2.26 2.07 0.00 3.99 0.00 0.00 3.78 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