NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4171 8.2893 120.3485 54.2050 34.1721 175.3026 2 P 4.5607 0.0000 0.0000 63.3227 32.9009 173.7079 3 R 5.2998 9.7209 120.1848 54.7544 35.7644 175.0691 4 L 5.0897 9.1733 119.8072 52.9246 45.4795 175.6336 5 K 4.8578 9.1059 125.0941 54.9086 34.1272 174.9672 6 V 4.8397 8.8776 127.8599 60.8890 34.3683 173.8574 7 K 4.9539 8.9093 129.1277 54.3720 35.1359 174.5589 8 L 4.4526 8.6448 130.0417 55.1755 42.1369 177.0275 9 V 4.3514 8.6155 120.0927 61.2245 33.0621 176.5237 10 K 4.5657 7.7242 118.3400 53.9108 35.1849 175.4684 11 S 4.1978 8.4188 116.4385 57.6766 62.7703 172.2973 12 P 3.8630 0.0000 0.0000 62.5791 31.8503 175.7855 13 I 3.7771 7.1195 120.9894 63.5364 37.2707 176.2054 14 G 3.9602 9.0497 112.3450 46.0373 0.0000 173.0220 15 Y 4.0912 8.2715 117.2707 56.2371 38.8229 174.3578 16 P 4.3741 0.0000 0.0000 62.8580 33.2752 177.6225 17 K 3.8832 8.7773 120.0075 60.0531 31.8754 179.1690 18 D 4.3893 8.1366 118.3568 57.6041 40.9171 178.8235 19 Q 4.0486 8.0461 117.8436 58.8669 28.9862 178.5228 20 K 4.0209 8.5583 119.6889 59.2799 31.9266 179.3192 21 A 3.9731 8.4879 121.4087 55.0702 18.3335 179.4417 22 A 4.0683 8.2964 119.5423 55.4167 18.4241 179.8984 23 L 3.9443 7.9041 117.1598 57.5235 41.6495 179.5713 24 K 3.8774 7.9682 119.4489 59.6411 32.0196 178.8570 25 A 4.0872 8.1372 119.4286 54.3832 18.3519 178.5685 26 L 4.3892 7.6784 115.4743 54.1756 42.1149 177.4700 27 G 3.8001 7.7184 106.8592 46.0015 0.0000 173.5466 28 L 4.3704 7.8888 120.1404 53.6794 41.4929 176.7178 29 R 4.5524 9.2258 123.3484 56.0204 32.3092 176.2568 30 R 4.6996 7.5677 112.6275 53.9649 32.5434 174.2328 31 L 4.0081 8.2694 118.7741 56.1387 42.0741 177.2913 32 Q 3.5635 9.0500 119.9961 56.5021 27.3382 173.7356 33 Q 4.1907 7.6336 120.4505 56.3469 30.1220 174.9138 34 E 5.3137 8.6918 123.9724 54.7228 33.0914 175.4459 35 R 4.7024 8.9393 120.7503 54.4491 34.9076 174.2341 36 V 4.7668 8.4515 122.0768 61.3089 33.2965 174.6359 37 L 4.9409 8.7715 127.5501 52.5448 45.5593 175.7261 38 E 4.3730 8.5981 120.4834 56.4854 30.2791 177.2835 39 D 4.6879 8.8962 125.1018 54.0614 40.2476 175.2650 40 T 4.6699 8.0369 114.6042 58.3104 72.1060 173.9321 41 P 4.2017 0.0000 0.0000 65.8950 31.2737 178.7743 42 A 3.9737 7.9140 118.6627 55.3061 18.4146 179.6164 43 I 3.6956 7.8578 118.3277 64.5615 37.1058 178.8627 44 R 4.0473 8.4452 119.4680 59.1670 29.9419 179.2751 45 G 3.6372 8.3267 105.6328 48.0348 0.0000 175.5506 46 N 4.4361 7.8539 117.4218 55.8902 38.7663 177.4815 47 V 3.7274 7.9008 119.9352 65.6664 31.4569 177.6381 48 E 3.9257 8.3831 119.3337 59.3917 29.2851 179.0157 49 K 4.0645 7.8113 116.5529 58.4587 32.2589 178.0312 50 V 4.4189 7.4157 111.5207 60.6485 32.4091 177.5220 51 A 3.9845 7.8831 126.1969 55.7879 18.2893 180.6207 52 H 4.1936 8.3077 113.7099 58.8751 30.2255 175.9440 53 L 4.2031 8.0303 118.2658 55.3196 42.0952 176.2726 54 V 4.9787 7.1906 110.7713 59.3365 35.2148 174.8717 55 R 4.6439 8.8217 122.9532 54.6364 32.4136 174.8442 56 V 4.9222 8.3566 124.8830 61.1964 34.2949 174.3408 57 E 4.7819 9.1799 126.1087 54.4206 33.9027 174.8809 58 V 4.1689 8.4086 123.4935 62.8945 32.5350 175.2859 59 V 4.6187 8.8531 120.4128 59.8275 36.7030 175.8684 60 E 4.2525 8.5930 119.5882 56.8690 29.9293 176.2912 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 4.42 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 P 0.00 4.56 0.00 2.23 2.16 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 9.72 5.30 0.00 1.73 1.84 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 4 L 9.17 5.09 0.00 1.49 1.51 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.11 4.86 0.00 1.78 1.66 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.47 7.81 6 V 8.88 4.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 7 K 8.91 4.95 0.00 1.81 1.59 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.39 7.81 8 L 8.64 4.45 0.00 1.80 1.51 0.91 0.90 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 9 V 8.62 4.35 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 0.77 0.00 0.00 0.96 0.00 0.00 10 K 7.72 4.57 0.00 1.52 1.58 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.33 7.81 11 S 8.42 4.20 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.86 0.00 2.14 2.00 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 13 I 7.12 3.78 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 1.25 0.54 0.95 0.00 0.00 14 G 9.05 3.96 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 0.00 0.00 0.00 15 Y 8.27 4.09 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.18 1.98 0.00 3.77 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 17 K 8.78 3.88 0.00 1.77 1.90 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 18 D 8.14 4.39 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.05 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 20 K 8.56 4.02 0.00 1.94 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.50 1.56 7.81 21 A 8.49 3.97 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 22 A 8.30 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.94 0.00 1.92 1.87 0.84 0.47 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 24 K 7.97 3.88 0.00 2.08 1.94 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 A 8.14 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.39 0.00 1.76 1.71 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.72 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 28 L 7.89 4.37 0.00 1.63 1.61 0.90 0.61 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 29 R 9.23 4.55 0.00 1.84 1.93 0.00 3.13 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 30 R 7.57 4.70 0.00 1.91 1.95 0.00 2.96 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 31 L 8.27 4.01 0.00 1.64 1.62 0.90 0.91 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 32 Q 9.05 3.56 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 33 Q 7.63 4.19 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.69 5.31 0.00 1.83 1.78 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 2.18 2.28 0.00 35 R 8.94 4.70 0.00 1.66 1.74 0.00 3.23 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.91 0.00 36 V 8.45 4.77 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 0.81 0.00 0.00 0.93 0.00 0.00 37 L 8.77 4.94 0.00 1.58 1.50 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.60 4.37 0.00 1.83 1.88 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 2.31 2.36 0.00 39 D 8.90 4.69 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 40 T 8.04 4.67 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 41 P 0.00 4.20 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 A 7.91 3.97 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 43 I 7.86 3.70 2.02 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 1.52 1.00 0.95 0.00 0.00 44 R 8.45 4.05 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 45 G 8.33 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.44 0.00 2.88 2.89 0.00 0.00 7.03 7.53 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 47 V 7.90 3.73 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 0.99 0.00 0.00 48 E 8.38 3.93 0.00 2.26 2.12 0.00 0.00 0.00 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 2.37 0.00 49 K 7.81 4.06 0.00 1.97 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.68 7.81 50 V 7.42 4.42 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 0.73 0.00 0.00 1.04 0.00 0.00 51 A 7.88 3.98 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 52 H 8.31 4.19 0.00 3.15 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.03 4.20 0.00 1.75 1.52 0.46 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.19 4.98 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 0.61 0.00 0.00 0.95 0.00 0.00 55 R 8.82 4.64 0.00 1.83 1.73 0.00 3.01 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 56 V 8.36 4.92 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 0.88 0.00 0.00 0.93 0.00 0.00 57 E 9.18 4.78 0.00 1.87 1.75 0.00 0.00 0.00 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 2.22 0.00 58 V 8.41 4.17 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 0.77 0.00 0.00 0.93 0.00 0.00 59 V 8.85 4.62 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 0.68 0.00 0.00 0.98 0.00 0.00 60 E 8.59 4.25 0.00 1.91 1.80 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 2.19 2.20 0.00