NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3995 8.1627 120.6041 55.4935 34.4610 173.3517 2 Q 4.8110 8.3011 124.8030 52.5174 31.1818 172.7541 3 I 4.6969 8.9401 120.4099 58.9755 42.1283 173.5780 4 F 5.3714 9.4478 121.8845 55.7074 42.2917 174.8078 5 V 4.7565 9.0097 122.7916 61.1913 33.8808 174.4814 6 K 5.0029 9.1627 128.7658 55.7697 34.1519 176.3447 7 T 4.9290 8.3681 113.6188 59.4901 71.6358 174.9400 8 L 3.9787 8.7544 123.6352 58.5010 42.0346 178.4384 9 T 3.9463 7.3627 106.9297 63.3773 68.8312 175.0975 10 G 4.0365 7.8272 108.0452 45.0472 0.0000 174.1726 11 K 3.9947 7.7927 120.7428 57.0144 32.7408 175.0691 12 T 5.1514 8.3340 120.8441 61.9359 70.8636 173.4496 13 I 4.4719 8.8989 127.7337 60.1554 39.3363 174.7221 14 T 4.9809 8.5376 123.1678 62.0626 70.2754 174.0086 15 L 4.8264 8.6804 124.9703 52.9089 46.1342 175.3609 16 E 4.8366 8.6659 120.7230 55.0311 30.7739 175.7451 17 V 4.6831 9.0496 117.8816 59.6448 36.0912 174.9293 18 E 4.7581 9.3404 121.9479 53.8711 31.7296 175.4563 19 P 4.3034 0.0000 0.0000 66.1039 31.5946 178.3808 20 S 4.1659 8.1759 113.1400 59.9955 63.7819 174.2850 21 D 4.3804 8.0533 122.8263 54.8000 41.3369 176.5012 22 T 4.6799 8.2575 113.8111 61.2203 71.1953 176.1168 23 I 3.7654 8.3791 122.3556 64.2560 36.9874 178.4664 24 E 3.9712 8.0154 119.5911 59.7274 29.4562 179.3397 25 N 4.4550 8.1448 116.2098 55.5253 37.3744 177.3977 26 V 3.5828 7.7052 120.7736 65.8505 31.5553 178.1057 27 K 4.3072 8.5681 119.5322 58.8352 31.8048 179.1365 28 A 3.9956 8.0838 121.1228 55.2038 18.1517 179.8934 29 K 3.9950 8.2169 116.8929 59.4509 32.0359 179.7609 30 I 3.7608 7.5344 120.0809 64.1007 36.9432 178.0861 31 Q 4.0944 8.2302 120.5048 59.4666 28.7059 177.8524 32 D 4.3529 8.1372 118.8651 57.2136 40.9119 178.6260 33 K 4.1689 7.5358 118.4956 58.7075 32.7514 177.8333 34 E 4.5716 8.4881 115.5194 55.1347 30.4242 176.6851 35 G 3.8142 8.1081 107.1448 46.2274 0.0000 173.3327 36 I 4.1927 7.6105 120.4540 58.7060 38.0185 174.2316 37 P 4.3419 0.0000 0.0000 62.0324 32.0700 175.5068 38 P 4.2801 0.0000 0.0000 65.8062 31.3950 178.2872 39 D 4.4531 7.9880 115.7510 55.7432 39.7376 177.0863 40 Q 4.1905 8.2556 118.5191 57.1810 29.3141 175.0751 41 Q 4.9792 7.9449 118.2799 54.5385 30.9510 174.9467 42 R 4.6774 8.9108 121.7942 54.3798 33.9566 174.2191 43 L 5.1895 8.5498 123.2111 53.0277 44.6237 175.3121 44 I 5.0265 8.8682 123.9584 59.4413 40.8309 174.3172 45 F 5.0631 8.7759 127.9613 56.5450 42.4706 174.6154 46 A 3.1456 8.7889 129.2999 53.2723 15.6019 177.7966 47 G 3.8821 8.1162 106.1133 46.5068 0.0000 173.8114 48 K 4.5525 7.5300 119.5954 54.2760 34.2504 174.9875 49 Q 4.5985 8.4579 124.3546 55.7020 29.7969 175.0287 50 L 4.1262 8.7045 127.6020 54.2540 42.7383 176.4997 51 E 4.4160 9.3650 123.6381 55.6811 30.6721 177.8151 52 D 4.3778 8.9927 123.0492 57.1874 41.1520 178.1832 53 G 3.9482 8.0196 105.0895 45.8127 0.0000 173.5364 54 R 4.5431 7.7900 119.5510 55.0375 31.5835 175.6169 55 T 4.9571 8.2279 109.7233 59.7662 71.1050 175.7699 56 L 3.8221 8.9076 122.7975 58.1464 42.1525 180.0533 57 S 4.0847 8.5320 113.3571 61.3792 62.4732 175.7357 58 D 4.2594 7.9342 118.9877 57.2262 40.5329 177.0303 59 Y 4.5300 7.4240 113.3110 56.9854 38.2608 174.7530 60 N 4.0966 7.9775 117.3402 54.5844 37.7477 174.6868 61 I 3.5769 7.6313 118.7829 60.2835 36.8712 175.9444 62 Q 4.5282 8.0560 125.7928 53.3438 31.0958 175.2126 63 K 3.9999 8.3687 117.5154 58.8657 32.6583 176.1948 64 E 3.9921 9.0841 119.3957 57.4887 27.8821 175.0019 65 S 4.5455 7.6809 115.2434 58.9881 64.2714 173.3790 66 T 5.1176 8.6930 119.4064 62.1599 70.1475 173.9409 67 L 4.9366 9.3287 127.1015 53.8307 44.5486 175.1817 68 H 5.2920 9.1203 118.5060 54.0788 31.4008 173.2612 69 L 5.0566 8.8583 125.7247 53.4618 43.4737 175.5058 70 V 4.4826 8.7788 126.6155 61.1107 34.2300 174.0082 71 L 5.0423 8.4235 126.5151 53.2770 43.7160 176.9538 72 R 4.3523 9.1395 124.4067 55.1121 29.2393 175.7422 73 L 4.5895 8.1391 122.8134 53.0042 43.6801 176.5383 74 R 4.4182 8.4094 120.7891 55.0477 31.3453 177.0138 75 G 3.7379 8.5765 110.4304 45.6629 0.0000 172.8013 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 8.16 4.40 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 2 Q 8.30 4.81 0.00 2.11 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 3 I 8.94 4.70 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.77 0.00 0.00 4 F 9.45 5.37 0.00 2.93 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 5 V 9.01 4.76 2.10 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 1.04 0.00 0.00 0.92 0.00 0.00 6 K 9.16 5.00 0.00 1.59 1.72 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 7 T 8.37 4.93 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 8 L 8.75 3.98 0.00 1.63 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.36 3.95 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 G 7.83 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 0.00 0.00 0.00 11 K 7.79 3.99 0.00 1.85 1.71 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 T 8.33 5.15 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 1.33 0.00 0.00 13 I 8.90 4.47 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.92 0.00 0.00 14 T 8.54 4.98 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 1.04 0.00 0.00 15 L 8.68 4.83 0.00 1.43 1.44 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.84 0.00 1.78 1.84 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 2.15 2.21 0.00 17 V 9.05 4.68 2.10 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 0.62 0.00 0.00 0.89 0.00 0.00 18 E 9.34 4.76 0.00 1.95 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 2.21 2.35 0.00 19 P 0.00 4.30 0.00 2.09 2.30 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 20 S 8.18 4.17 0.00 3.99 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 21 D 8.05 4.38 0.00 2.81 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 22 T 8.26 4.68 4.42 0.00 0.00 0.00 0.00 0.00 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 23 I 8.38 3.77 2.00 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 1.90 0.91 0.96 0.00 0.00 24 E 8.02 3.97 0.00 1.99 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 2.41 0.00 25 N 8.14 4.45 0.00 3.02 3.07 0.00 0.00 6.74 7.57 0.00 0.00 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 V 7.71 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 27 K 8.57 4.31 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.45 7.81 28 A 8.08 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.99 0.00 1.97 1.85 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.53 3.76 2.16 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 1.40 0.65 0.91 0.00 0.00 31 Q 8.23 4.09 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 8.14 4.35 0.00 2.85 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 33 K 7.54 4.17 0.00 1.88 1.81 0.00 1.76 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 1.42 1.47 7.81 34 E 8.49 4.57 0.00 2.01 1.96 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 2.26 2.44 0.00 35 G 8.11 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.61 4.19 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 1.42 0.90 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.32 1.98 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 7.99 4.45 0.00 2.76 2.81 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 0.00 0.00 0.00 40 Q 8.26 4.19 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 41 Q 7.94 4.98 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 42 R 8.91 4.68 0.00 1.68 1.78 0.00 3.40 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.19 0.00 1.54 1.52 0.90 0.83 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 I 8.87 5.03 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.94 0.00 0.00 45 F 8.78 5.06 0.00 2.94 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 46 A 8.79 3.15 0.81 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 0.00 0.00 0.00 0.00 0.00 47 G 8.12 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 48 K 7.53 4.55 0.00 1.98 1.74 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 Q 8.46 4.60 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 50 L 8.70 4.13 0.00 1.40 1.29 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.37 4.42 0.00 2.05 1.92 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 2.38 2.43 0.00 52 D 8.99 4.38 0.00 2.80 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 53 G 8.02 3.95 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 0.00 0.00 0.00 54 R 7.79 4.54 0.00 2.06 1.87 0.00 3.27 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 55 T 8.23 4.96 4.45 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 1.27 0.00 0.00 56 L 8.91 3.82 0.00 1.82 1.71 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.53 4.08 0.00 3.90 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 58 D 7.93 4.26 0.00 2.61 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 59 Y 7.42 4.53 0.00 2.91 3.09 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 0.00 0.00 0.00 0.00 60 N 7.98 4.10 0.00 2.91 3.04 0.00 0.00 7.11 7.56 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 61 I 7.63 3.58 1.77 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.53 0.00 0.00 62 Q 8.06 4.53 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 63 K 8.37 4.00 0.00 1.85 1.81 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.08 3.99 0.00 2.20 2.30 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 2.49 2.35 0.00 65 S 7.68 4.55 0.00 3.68 3.70 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 T 8.69 5.12 4.33 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 1.20 0.00 0.00 67 L 9.33 4.94 0.00 1.60 1.59 0.80 1.00 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 68 H 9.12 5.29 0.00 3.07 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.06 0.00 1.60 1.69 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.48 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.42 5.04 0.00 1.55 1.56 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.14 4.35 0.00 1.64 1.90 0.00 3.31 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 L 8.14 4.59 0.00 1.63 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.41 4.42 0.00 1.79 1.86 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 75 G 8.58 3.74 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 0.00 0.00 0.00