NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9197 8.3544 109.7361 44.6772 0.0000 171.4103 0 S 4.5237 6.8026 116.9238 59.5755 70.0800 174.7537 1 M 3.9101 8.3872 123.2123 58.4292 33.3600 177.7011 2 A 4.1626 8.0875 120.3647 54.6684 18.8500 177.0632 3 D 4.6875 7.1490 111.1624 52.7964 42.0150 173.6574 4 T 4.4128 8.1459 108.2578 62.9239 71.0433 174.1381 5 R 4.4073 7.6090 122.4098 54.6340 31.8047 177.0593 6 R 4.6012 8.0121 117.9244 54.5229 30.5137 174.5095 7 R 4.3744 7.7708 118.2933 55.7314 31.2224 174.0306 8 Q 4.3656 8.4135 125.3083 57.3896 31.2129 174.3879 9 N 4.4411 7.8804 114.7314 53.0638 37.9790 174.5428 10 H 4.6993 8.5854 118.4207 56.1601 30.2425 175.7325 11 S 4.2011 7.8389 116.1528 58.8315 63.2178 173.9165 12 C 5.2457 8.9688 119.1744 58.6460 31.4397 174.4580 13 D 4.4275 9.2718 121.1659 57.4671 40.2726 178.0718 14 P 4.2300 0.0000 0.0000 66.0324 31.1644 178.2156 15 C 3.9714 7.8912 116.0510 62.3715 28.2688 175.6946 16 R 3.5457 7.8794 117.8696 59.3250 28.3849 179.0015 17 K 3.8257 7.6527 117.5854 59.0957 32.1185 178.0611 18 G 3.7871 7.5628 105.1171 44.7531 0.0000 173.5338 19 K 3.7490 7.3857 116.6528 57.6357 29.8929 175.8021 20 R 4.5718 8.5175 117.0188 54.3318 32.7701 176.0619 21 R 4.9008 8.7449 120.8353 53.9234 31.4831 175.3410 22 C 5.0317 8.2462 117.2335 55.9912 32.6555 173.4053 23 D 4.3070 9.0365 118.3339 57.2952 40.4265 175.6023 24 A 2.8921 8.2786 122.7243 51.0744 16.8300 175.1746 25 P 4.6069 0.0000 0.0000 62.9101 33.5142 176.4324 26 E 4.2913 8.7795 117.3457 58.8875 30.3483 178.2072 27 N 5.0506 7.3469 115.5941 52.5392 37.8014 176.6060 28 R 3.2727 7.9002 119.3667 59.0349 29.6328 177.7432 29 N 4.2986 7.9492 117.3753 56.6027 39.2387 176.4101 30 E 4.5215 8.4218 120.8424 58.2082 29.6197 178.3804 31 A 4.0639 8.2580 121.7272 55.1562 18.4456 179.1743 32 N 5.1990 8.1840 116.2691 56.2347 38.6099 177.4804 33 E 4.0435 8.0757 120.0397 59.5288 29.3168 179.2084 34 N 4.5574 8.0459 115.4247 54.0814 38.6829 176.9107 35 G 4.8823 7.8668 120.4745 46.6143 0.0000 172.2811 36 W 4.4221 7.6286 130.3470 57.9133 31.5288 174.6523 37 V 4.8254 6.6199 118.2703 63.0980 36.7713 173.4468 38 S 3.4640 5.8100 111.8209 54.7109 65.3425 174.4920 39 C 4.7292 8.4625 118.2287 58.3329 31.4360 174.7581 40 S 4.1488 8.7768 117.2191 61.9506 62.2536 176.6933 41 N 4.4992 8.2126 119.3360 56.4868 38.4035 176.7028 42 C 4.1102 8.1152 117.3504 63.1307 28.1260 176.4999 43 K 4.1127 8.0457 118.2681 58.8290 31.5671 179.3316 44 R 4.0757 8.0238 118.7830 58.9854 30.3944 177.8500 45 W 4.4047 9.0228 115.5614 55.5490 30.8947 175.6301 46 N 4.4132 8.2917 116.6620 54.0494 36.4169 173.8281 47 K 4.5189 7.2386 121.2865 56.0109 31.8429 180.3541 48 D 4.4324 8.5098 131.9768 54.2793 42.1983 171.8976 49 C 4.4422 8.5310 125.5529 59.5989 31.7905 172.0187 50 T 4.7403 8.5132 120.0363 59.1887 71.2555 173.3867 51 F 5.8014 8.3844 122.9518 57.5126 38.6303 177.6771 52 N 4.5112 8.3338 118.0297 55.8725 38.5210 177.1843 53 W 4.2836 9.2512 118.2056 59.7683 27.9561 178.1691 54 L 3.5937 6.4658 120.4895 56.5992 40.8937 179.2631 55 S 4.4184 7.8944 114.6379 60.4627 62.5704 175.6026 56 S 4.7854 7.5337 116.0603 57.9673 63.0945 174.7758 57 Q 4.7913 7.9938 130.2484 54.9418 27.6660 179.1889 58 R 3.6441 8.7265 129.0061 60.5458 29.8631 175.4247 59 S 4.5304 6.9034 110.7519 57.8229 67.4108 177.2596 60 K 5.0192 8.3091 120.8809 55.2958 29.3232 176.2350 61 N 4.2435 8.2869 120.7443 56.0892 39.0929 175.0792 62 S 4.6604 7.7296 116.1685 56.4805 62.6998 174.3235 63 S 4.2577 8.1610 118.4068 58.1995 62.9455 174.5120 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 G 8.35 3.92 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 0.00 0.00 0.00 0 S 6.80 4.52 0.00 3.90 3.68 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 1 M 8.39 3.91 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 2 A 8.09 4.16 1.27 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 0.00 0.00 3 D 7.15 4.69 0.00 2.79 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 4 T 8.15 4.41 4.23 0.00 0.00 0.00 0.00 0.00 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 5 R 7.61 4.41 0.00 1.80 1.86 0.00 3.09 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 6 R 8.01 4.60 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 R 7.77 4.37 0.00 1.74 1.83 0.00 3.09 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 8 Q 8.41 4.37 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 9 N 7.88 4.44 0.00 2.65 2.58 0.00 0.00 5.61 7.10 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 10 H 8.59 4.70 0.00 3.16 3.63 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.84 4.20 0.00 3.76 3.89 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 12 C 8.97 5.25 0.00 3.58 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.27 4.43 0.00 3.06 2.87 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 0.00 0.00 0.00 0.00 14 P 0.00 4.23 0.00 2.17 2.28 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 15 C 7.89 3.97 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.55 0.00 1.63 1.82 0.00 2.21 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 17 K 7.65 3.83 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.45 7.81 18 G 7.56 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 0.00 0.00 0.00 19 K 7.39 3.75 0.00 1.82 1.84 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.32 7.81 20 R 8.52 4.57 0.00 1.60 1.75 0.00 2.88 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 21 R 8.74 4.90 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.91 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 22 C 8.25 5.03 0.00 3.22 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 23 D 9.04 4.31 0.00 3.10 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 24 A 8.28 2.89 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.61 0.00 2.15 2.10 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 26 E 8.78 4.29 0.00 2.07 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 2.30 2.31 0.00 27 N 7.35 5.05 0.00 2.75 2.74 0.00 0.00 6.58 7.54 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 28 R 7.90 3.27 0.00 1.25 1.33 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.81 0.00 29 N 7.95 4.30 0.00 2.78 2.86 0.00 0.00 6.88 7.66 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 30 E 8.42 4.52 0.00 2.04 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 2.55 2.18 0.00 31 A 8.26 4.06 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.18 5.20 0.00 3.12 2.95 0.00 0.00 7.35 7.95 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 33 E 8.08 4.04 0.00 2.15 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 2.35 2.58 0.00 34 N 8.05 4.56 0.00 2.89 2.93 0.00 0.00 7.27 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.87 4.88 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 36 W 7.63 4.42 0.00 3.35 3.25 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 0.00 37 V 6.62 4.83 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 0.17 0.00 0.00 0.73 0.00 0.00 38 S 5.81 3.46 0.00 3.69 3.50 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 39 C 8.46 4.73 0.00 3.43 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.78 4.15 0.00 4.11 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 0.00 41 N 8.21 4.50 0.00 2.77 2.79 0.00 0.00 7.19 7.68 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 42 C 8.12 4.11 0.00 3.07 2.97 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 43 K 8.05 4.11 0.00 1.70 1.84 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.28 7.81 44 R 8.02 4.08 0.00 1.91 2.53 0.00 3.71 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 45 W 9.02 4.40 0.00 3.17 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.41 0.00 2.89 2.89 0.00 0.00 7.03 7.22 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 47 K 7.24 4.52 0.00 1.74 0.78 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.53 7.81 48 D 8.51 4.43 0.00 2.64 2.56 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 49 C 8.53 4.44 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.51 4.74 4.31 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 1.51 0.00 0.00 51 F 8.38 5.80 0.00 3.01 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 52 N 8.33 4.51 0.00 3.35 2.97 0.00 0.00 6.91 7.61 0.00 0.00 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 W 9.25 4.28 0.00 3.50 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.47 3.59 0.00 1.46 1.13 -0.28 -1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.89 4.42 0.00 4.05 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 56 S 7.53 4.79 0.00 3.89 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 57 Q 7.99 4.79 0.00 1.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.10 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 58 R 8.73 3.64 0.00 1.72 1.93 0.00 3.24 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 59 S 6.90 4.53 0.00 3.62 3.69 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 60 K 8.31 5.02 0.00 1.73 1.77 0.00 1.85 0.00 0.00 2.49 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.32 7.81 61 N 8.29 4.24 0.00 2.56 2.87 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.73 4.66 0.00 3.92 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 63 S 8.16 4.26 0.00 3.91 3.76 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