NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4526 8.3049 120.3260 54.9518 33.4305 175.0656 2 K 4.1394 8.3897 121.3904 55.5724 33.0984 174.9195 3 I 4.5635 7.7648 122.0944 59.2368 40.6497 175.9814 4 S 4.1217 8.9018 120.0805 60.8779 63.1076 174.4006 5 G 3.8025 8.1578 109.4898 45.8897 0.0000 173.2015 6 R 3.9597 8.6140 125.2359 58.3113 30.6780 176.5270 7 N 4.7663 8.1628 116.4224 52.0127 39.7635 174.5737 8 K 4.9035 8.6287 123.7785 54.4381 34.7155 175.7643 9 L 4.2968 8.5634 125.5659 52.5533 44.3069 175.9917 10 E 4.6905 8.9180 124.5473 56.1327 29.8564 175.7098 11 A 5.1019 8.9236 126.5013 50.3304 23.6087 174.0294 12 T 5.0283 8.4213 113.9454 61.6544 72.1758 174.5033 13 V 4.0225 8.8603 127.0788 63.3578 32.0430 176.3301 14 K 4.3869 9.1964 127.4184 57.9555 33.8102 176.4892 15 E 4.7905 7.7553 118.2175 55.0023 33.2445 173.9424 16 I 5.1113 8.2844 125.1005 59.5133 40.9359 174.7184 17 V 4.3344 8.7679 126.6846 61.0655 33.9411 174.1481 18 K 4.6219 8.8109 127.8640 55.3323 33.3261 176.7638 19 G 4.2609 8.4559 115.8239 44.4020 0.0000 172.9101 20 T 4.0646 8.5120 114.8321 65.8553 69.0777 175.1543 21 V 4.2535 7.8976 118.5741 64.2228 34.2891 175.6314 22 M 5.1227 7.9744 118.1848 53.7429 35.2038 174.7034 23 A 5.0916 9.0776 121.3995 50.1598 23.0983 174.9556 24 K 4.6960 9.0807 123.3780 55.2928 34.1201 175.3283 25 I 4.7053 8.8991 129.2000 59.7505 39.4238 174.6407 26 V 4.6072 8.8712 128.9179 61.8064 32.9844 174.7713 27 M 5.3278 9.1081 126.8756 53.5686 36.6376 173.6613 28 D 5.2723 9.0988 120.6659 52.8657 43.9646 174.4234 29 Y 4.9248 9.2260 127.0282 55.4399 40.9880 175.2656 30 K 3.8220 9.8021 129.2104 57.1351 29.8734 176.5589 31 G 3.9654 8.2324 105.5631 45.3563 0.0000 174.0290 32 T 4.4763 7.9138 117.5373 61.8465 70.0123 173.3252 33 E 4.7596 8.6446 127.0325 55.9033 30.5661 175.4583 34 L 4.9252 9.0939 126.5155 53.0557 45.3130 175.7090 35 V 4.8111 8.2486 120.1426 61.3968 34.2660 174.1669 36 A 4.8700 9.0749 129.5258 49.9748 22.1394 174.8642 37 A 5.2466 8.6398 122.7045 50.2936 21.0966 175.2746 38 I 4.7648 8.2998 114.8659 59.4370 41.8032 175.2667 39 T 4.5547 8.2840 111.8515 60.9977 69.6784 175.7909 40 I 3.7861 8.4629 117.3658 64.0330 37.3332 178.2069 41 D 4.3610 7.5444 118.9750 57.6197 40.5568 178.9523 42 S 4.1135 7.9510 115.2471 61.3838 62.8025 176.8057 43 V 3.5485 7.8015 120.3899 65.8686 31.3744 177.8756 44 A 3.9554 8.0127 120.4558 55.1783 18.0718 179.0253 45 D 4.2779 8.1012 115.5211 57.4532 41.4603 177.9202 46 L 4.1959 8.1191 116.5367 54.2983 42.6691 176.1523 47 D 4.4114 7.7020 117.7583 55.1065 38.9146 174.3304 48 L 4.3876 7.8890 117.8582 54.9289 42.7504 177.7941 49 V 4.5535 8.6358 115.2534 58.7671 35.9156 172.8501 50 P 4.5680 0.0000 0.0000 64.5454 31.5165 176.8716 51 G 4.0560 9.0587 111.6478 45.1951 0.0000 173.7832 52 D 4.5113 7.9894 120.5003 54.3925 41.9726 175.7603 53 K 4.7270 8.5696 122.6167 56.0753 33.1834 176.4710 54 V 4.5919 8.9973 117.5561 60.1451 37.0178 174.1445 55 T 4.9024 8.2993 117.2764 61.7481 70.5436 174.2832 56 A 4.2112 8.9173 129.9559 51.4675 19.8156 175.7093 57 L 5.1215 8.4155 123.7191 53.1615 45.0796 175.7414 58 V 4.4454 8.6075 125.2011 60.7060 34.9598 174.6993 59 K 4.2627 8.7305 128.6440 55.9613 33.1654 177.1786 60 A 3.9894 8.7965 128.6854 55.6494 18.3727 179.5205 61 T 4.1106 7.8758 103.3158 63.4807 69.0412 174.6514 62 E 4.4849 8.2074 121.2431 56.1138 29.8413 174.7859 63 M 4.5091 7.7208 119.3019 53.7654 33.5410 175.4373 64 E 4.5358 8.5467 125.4245 55.0697 31.4890 175.3719 65 V 4.4392 8.0650 119.2179 61.0101 34.0653 174.6598 66 L 4.8393 8.3364 125.9888 53.0175 44.3866 176.3392 67 K 4.0944 8.3498 122.0242 56.9441 32.0878 175.4038 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 4.45 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.39 4.14 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 I 7.76 4.56 1.86 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 0.61 0.93 0.00 0.00 4 S 8.90 4.12 0.00 3.97 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 5 G 8.16 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 0.00 0.00 0.00 6 R 8.61 3.96 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 7 N 8.16 4.77 0.00 2.81 2.74 0.00 0.00 6.70 7.76 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 8 K 8.63 4.90 0.00 1.57 1.68 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.46 7.81 9 L 8.56 4.30 0.00 0.85 0.13 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.92 4.69 0.00 1.96 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 2.31 2.34 0.00 11 A 8.92 5.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 5.03 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 1.27 0.00 0.00 13 V 8.86 4.02 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 0.81 0.00 0.00 0.96 0.00 0.00 14 K 9.20 4.39 0.00 1.63 1.84 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 15 E 7.76 4.79 0.00 2.00 1.73 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 2.28 2.34 0.00 16 I 8.28 5.11 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 1.23 0.78 0.91 0.00 0.00 17 V 8.77 4.33 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 1.05 0.00 0.00 0.93 0.00 0.00 18 K 8.81 4.62 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.46 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 0.00 0.00 0.00 0.00 20 T 8.51 4.06 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 1.21 0.00 0.00 21 V 7.90 4.25 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 1.09 0.00 0.00 0.93 0.00 0.00 22 M 7.97 5.12 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 9.08 5.09 1.17 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 0.00 0.00 24 K 9.08 4.70 0.00 1.82 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 I 8.90 4.71 1.86 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 1.23 0.79 0.90 0.00 0.00 26 V 8.87 4.61 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 1.01 0.00 0.00 0.98 0.00 0.00 27 M 9.11 5.33 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 28 D 9.10 5.27 0.00 2.77 2.53 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 0.00 0.00 0.00 29 Y 9.23 4.92 0.00 2.92 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 30 K 9.80 3.82 0.00 1.40 1.62 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.53 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.25 1.15 7.81 31 G 8.23 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 32 T 7.91 4.48 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 33 E 8.64 4.76 0.00 2.00 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 2.29 2.50 0.00 34 L 9.09 4.93 0.00 1.58 1.52 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.25 4.81 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.07 4.87 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 37 A 8.64 5.25 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.76 1.86 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 1.28 0.91 0.90 0.00 0.00 39 T 8.28 4.55 4.39 0.00 0.00 0.00 0.00 0.00 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 40 I 8.46 3.79 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 1.70 0.64 1.02 0.00 0.00 41 D 7.54 4.36 0.00 2.75 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 42 S 7.95 4.11 0.00 4.00 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 43 V 7.80 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 44 A 8.01 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 45 D 8.10 4.28 0.00 2.75 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 46 L 8.12 4.20 0.00 1.79 1.69 0.95 1.36 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 47 D 7.70 4.41 0.00 2.81 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 48 L 7.89 4.39 0.00 1.64 1.60 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.64 4.55 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 0.73 0.00 0.00 1.04 0.00 0.00 50 P 0.00 4.57 0.00 2.04 2.19 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.06 4.06 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 0.00 0.00 0.00 52 D 7.99 4.51 0.00 2.72 2.60 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 53 K 8.57 4.73 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 54 V 9.00 4.59 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 0.71 0.00 0.00 0.97 0.00 0.00 55 T 8.30 4.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 56 A 8.92 4.21 1.08 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 0.00 0.00 0.00 0.00 0.00 57 L 8.42 5.12 0.00 1.56 1.48 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.61 4.45 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 0.87 0.00 0.00 0.90 0.00 0.00 59 K 8.73 4.26 0.00 1.82 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.80 3.99 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 61 T 7.88 4.11 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 1.21 0.00 0.00 62 E 8.21 4.48 0.00 2.08 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 2.25 2.21 0.00 63 M 7.72 4.51 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 64 E 8.55 4.54 0.00 1.99 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 2.26 2.28 0.00 65 V 8.06 4.44 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 0.85 0.00 0.00 0.94 0.00 0.00 66 L 8.34 4.84 0.00 1.62 1.53 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.35 4.09 0.00 1.66 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81