NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2967 8.3044 120.3334 55.4147 34.4303 176.1387 2 D 4.3866 7.4955 116.1931 52.6106 41.5153 176.3388 3 Y 4.4312 6.8573 117.6671 58.2826 39.3978 177.2015 4 L 4.1774 7.4679 121.3788 59.4558 40.1136 179.5950 5 R 4.0308 8.0264 118.1671 58.9228 30.1362 178.4766 6 E 3.9894 8.3405 119.2076 59.1231 29.6254 178.7721 7 L 4.0091 8.0166 118.5315 58.1014 41.7599 178.4460 8 Y 4.2360 8.2438 119.3046 60.9710 38.5674 178.5908 9 K 4.0200 8.4113 119.1720 59.5784 32.3155 179.4404 10 L 4.0339 7.9232 118.7826 57.7122 41.3094 179.1465 11 E 4.0311 8.7067 119.0885 59.7278 29.3981 179.2844 12 Q 4.2113 8.5177 117.4574 58.1605 29.0539 178.3902 13 Q 4.0466 8.5015 119.7317 58.6481 28.7099 178.3998 14 A 4.0066 8.0213 121.6381 55.3794 18.4308 179.3011 15 M 4.1631 7.8335 116.7094 58.8006 31.3461 178.4033 16 K 3.9887 8.5890 120.2244 59.2678 32.2614 178.8463 17 L 3.9797 7.8089 118.8877 58.1506 41.5861 179.1413 18 Y 4.0750 8.5135 116.9121 60.9510 37.4954 178.4442 19 R 3.9305 8.1382 119.2440 59.1758 30.3585 177.3050 20 E 4.2909 7.7004 114.7769 57.8769 30.1464 177.5085 21 A 3.9750 8.1533 121.2313 55.5004 18.1392 179.4483 22 S 4.1381 8.0015 110.3225 61.4566 62.3809 175.8708 23 E 4.1017 7.9544 121.4136 59.1558 29.6611 178.5756 24 K 4.1850 8.0000 117.8781 59.0170 31.6680 178.2700 25 A 4.5901 8.3805 120.4680 52.2706 18.3541 179.4178 26 R 3.5957 7.6120 120.2453 60.5670 29.6758 177.4466 27 N 4.3794 7.7015 118.0031 52.9371 39.7893 173.7164 28 P 4.3511 0.0000 0.0000 65.0118 31.6067 178.0255 29 E 4.0351 8.0535 119.6138 59.2756 29.6539 178.3322 30 K 4.0002 7.9417 119.1831 59.2855 32.1802 177.9429 31 K 4.4229 7.9606 115.5703 57.3151 31.8643 176.8023 32 S 4.7156 7.6263 111.4268 58.1190 64.1457 174.5973 33 V 4.2234 8.2147 120.7343 64.3650 32.8417 177.5379 34 L 3.8400 7.8035 118.0877 58.0424 40.4158 178.6543 35 Q 3.8783 7.9645 120.8995 59.1684 29.2014 177.9530 36 K 3.9571 7.6449 119.2788 59.1706 31.9301 179.3664 37 I 3.5150 7.5645 119.7402 64.3254 37.0989 177.8662 38 L 3.6728 7.8207 119.8726 58.1361 41.6635 179.5430 39 E 3.8508 8.2814 118.9324 59.2871 29.0948 178.5959 40 D 4.2516 7.9129 118.7346 56.8431 40.3994 177.9967 41 E 3.7530 7.9812 119.7058 58.1978 29.8240 177.8755 42 E 3.6792 8.0381 119.6283 58.9994 29.7410 178.6862 43 K 3.4647 7.1469 118.5631 59.3668 32.0553 178.4891 44 H 3.4935 7.0253 115.2017 58.6736 28.6491 177.4495 45 I 3.1560 6.8498 121.1860 64.6088 36.5678 177.8187 46 E 3.8910 7.8342 119.6004 59.1067 29.3994 178.9143 47 W 4.3390 7.6785 118.3537 59.4975 29.3021 178.4504 48 L 3.9294 8.2921 119.4538 57.8889 40.6660 179.3058 49 E 4.1265 7.9511 118.3613 59.7097 29.7137 178.8337 50 T 4.0605 7.4284 114.3398 66.2821 68.5235 176.1381 51 I 4.0856 7.5117 120.6159 62.1097 37.6242 175.9640 52 N 4.6054 7.5223 117.7695 53.8806 39.5428 174.8405 53 G 3.7755 8.2945 109.7242 46.3144 0.0000 173.3917 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 4.30 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 D 7.50 4.39 0.00 2.75 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 3 Y 6.86 4.43 0.00 3.25 3.27 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 4 L 7.47 4.18 0.00 2.11 2.02 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.03 4.03 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 6 E 8.34 3.99 0.00 2.14 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 0.00 2.36 2.39 0.00 7 L 8.02 4.01 0.00 2.06 1.77 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.24 4.24 0.00 3.28 2.99 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 9 K 8.41 4.02 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.59 7.81 10 L 7.92 4.03 0.00 1.76 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.71 4.03 0.00 2.21 2.05 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 2.42 2.51 0.00 12 Q 8.52 4.21 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.78 0.00 13 Q 8.50 4.05 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 14 A 8.02 4.01 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 15 M 7.83 4.16 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 16 K 8.59 3.99 0.00 2.01 1.80 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 17 L 7.81 3.98 0.00 1.96 1.48 0.84 0.75 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 18 Y 8.51 4.07 0.00 3.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.93 0.00 1.97 2.18 0.00 3.31 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 20 E 7.70 4.29 0.00 2.07 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 2.30 0.00 21 A 8.15 3.98 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 22 S 8.00 4.14 0.00 4.04 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 23 E 7.95 4.10 0.00 2.03 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 2.32 2.35 0.00 24 K 8.00 4.18 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.44 7.81 25 A 8.38 4.59 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 26 R 7.61 3.60 0.00 1.90 2.31 0.00 3.08 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 27 N 7.70 4.38 0.00 2.68 2.75 0.00 0.00 6.81 7.59 0.00 0.00 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 P 0.00 4.35 0.00 2.26 2.17 0.00 3.82 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 1.99 2.02 0.00 29 E 8.05 4.04 0.00 2.02 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 2.38 2.31 0.00 30 K 7.94 4.00 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.58 7.81 31 K 7.96 4.42 0.00 2.10 1.80 0.00 2.04 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 32 S 7.63 4.72 0.00 3.83 3.79 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 33 V 8.21 4.22 2.19 0.00 0.00 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 0.98 0.00 0.00 34 L 7.80 3.84 0.00 2.08 2.00 1.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.96 3.88 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 K 7.64 3.96 0.00 1.73 1.80 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 37 I 7.56 3.52 1.72 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 1.57 0.59 0.40 0.00 0.00 38 L 7.82 3.67 0.00 1.78 1.64 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.28 3.85 0.00 1.96 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 2.25 2.29 0.00 40 D 7.91 4.25 0.00 3.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.75 0.00 1.94 1.66 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 2.03 2.24 0.00 42 E 8.04 3.68 0.00 2.03 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 2.20 2.24 0.00 43 K 7.15 3.46 0.00 1.86 1.03 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.46 1.20 7.81 44 H 7.03 3.49 0.00 3.13 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 6.85 3.16 1.89 0.00 0.00 0.82 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 0.40 0.99 0.00 0.00 46 E 7.83 3.89 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 47 W 7.68 4.34 0.00 3.52 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 L 8.29 3.93 0.00 1.13 0.69 0.46 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.95 4.13 0.00 2.23 2.05 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 2.41 2.50 0.00 50 T 7.43 4.06 4.40 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 1.29 0.00 0.00 51 I 7.51 4.09 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.96 0.00 0.00 52 N 7.52 4.61 0.00 3.06 2.93 0.00 0.00 7.05 8.00 0.00 0.00 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 G 8.29 3.78 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 0.00 0.00 0.00