NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4390 8.1627 118.3255 55.2818 33.5238 173.3252 2 Q 4.7520 8.2503 121.1083 52.9060 30.9904 172.7906 3 I 4.7671 8.9699 120.0444 58.9991 42.2578 173.4215 4 F 5.2816 8.8866 121.4872 55.6937 41.9671 174.7157 5 V 4.8689 9.1569 123.4666 61.1075 34.0953 174.1700 6 K 5.2745 9.1528 127.9973 54.8545 35.2364 175.9953 7 T 5.1162 8.6142 114.8323 59.5732 70.6968 175.9822 8 L 4.0150 8.6159 122.4981 58.0286 41.7400 178.4999 9 T 4.1419 7.8132 105.9033 61.9907 69.1123 175.0658 10 G 3.9610 8.0919 110.5882 45.2470 0.0000 172.9917 11 K 4.4172 8.0655 121.4402 55.4385 33.7125 175.5302 12 T 5.1466 8.5743 123.6910 61.7577 70.9417 173.3948 13 I 4.6862 9.0171 119.9249 59.4074 41.1997 174.3231 14 T 5.0422 8.4295 118.9610 61.8514 70.8121 173.7929 15 L 4.8317 8.6260 124.7915 52.9264 46.0296 175.2440 16 E 4.8975 8.6571 121.0662 55.1282 30.7028 175.6789 17 V 4.7071 8.7699 117.4643 59.6793 36.2675 174.6386 18 E 4.7266 9.3116 120.6834 53.9196 32.5591 175.9903 19 P 4.1412 0.0000 0.0000 65.6924 31.5474 178.1633 20 S 4.4705 7.8768 109.6789 58.7254 63.7418 174.0273 21 D 4.4814 8.1483 123.5919 54.4231 41.3266 176.2174 22 T 4.5899 8.2207 113.6383 61.3296 71.1628 175.7792 23 I 3.6870 8.5713 123.8176 64.6616 37.1590 178.2892 24 E 3.9149 8.3854 120.1192 59.4072 29.3938 178.5089 25 N 4.3009 8.0964 116.9718 56.6244 39.0322 176.9657 26 V 3.5794 7.9620 119.7421 66.0861 31.5882 178.2310 27 K 4.3929 8.5968 119.3547 58.7650 31.7665 179.2258 28 A 4.0101 8.1527 121.2669 55.0587 18.3807 179.8440 29 K 3.9184 8.2438 117.0785 59.6429 32.1103 179.6569 30 I 3.7319 7.9350 120.1892 64.2580 36.9891 178.2556 31 Q 4.1294 8.2565 120.4752 59.4200 28.7036 178.0237 32 D 4.3648 8.1192 118.8352 56.9132 40.8610 178.1228 33 K 4.2185 7.8088 118.5145 58.0492 32.7512 177.5374 34 E 4.6125 8.6866 116.0684 55.2039 31.1447 177.2215 35 G 3.8763 8.0589 106.5739 45.3093 0.0000 173.3318 36 I 4.0667 7.4219 120.7254 59.3713 37.7299 174.0990 37 P 4.3390 0.0000 0.0000 62.0501 32.0336 175.5814 38 P 4.2670 0.0000 0.0000 65.8185 31.3576 177.9208 39 D 4.5151 8.0740 115.2177 55.2192 39.5995 176.3958 40 Q 4.5124 8.2818 118.7279 55.9410 30.1752 174.6188 41 Q 4.8446 8.1371 120.1732 54.2183 31.1951 174.6726 42 R 4.7187 9.0756 123.5221 54.4333 32.9104 174.7479 43 L 5.0531 8.4780 124.1913 53.2824 44.0505 175.4791 44 I 5.0424 9.0007 124.5628 59.5069 40.5034 174.4738 45 F 4.9664 9.0035 127.7142 57.1922 43.2893 173.9564 46 A 3.3169 8.5125 126.8875 53.2167 15.9647 177.8104 47 G 3.9169 8.3496 104.3478 47.0447 0.0000 174.2490 48 K 4.6131 7.7445 118.0063 53.8710 35.7696 175.3925 49 Q 4.5925 8.5464 123.9604 56.1830 29.6184 175.3502 50 L 4.1922 8.6868 127.0263 54.1754 43.0506 175.9756 51 E 4.6104 9.1618 122.2968 54.8832 31.3509 176.8811 52 D 4.4449 9.1250 123.8854 57.6956 41.0189 178.8491 53 G 3.7918 7.9898 104.4334 46.5258 0.0000 173.7268 54 R 4.3688 7.9663 120.2020 55.5914 31.4020 175.3243 55 T 5.0663 8.5852 109.5721 59.4957 71.5608 175.5611 56 L 4.0620 8.4674 122.2369 58.0070 41.9750 180.3562 57 S 4.1280 8.3634 113.3565 61.2316 63.1578 175.8958 58 D 4.1882 7.7101 120.1621 57.0486 40.5397 177.1281 59 Y 4.6303 7.2818 112.8756 56.8637 38.0735 174.7875 60 N 4.1419 8.0129 117.1840 54.4086 38.0174 174.1123 61 I 3.6174 7.5329 117.4212 60.3432 37.6594 175.7222 62 Q 4.6682 8.2748 124.0392 52.7659 31.8182 174.8540 63 K 3.8435 8.4285 117.2587 59.1382 32.3480 176.4807 64 E 3.9237 9.5321 120.4818 57.1455 27.7733 174.8546 65 S 4.6208 7.8825 115.5257 59.0437 64.3134 173.0873 66 T 5.2089 8.6738 118.3966 62.1176 70.2604 173.9418 67 L 5.0611 9.2809 126.2491 53.5163 44.8688 175.0744 68 H 5.2392 9.2051 119.6142 54.3418 31.2556 173.9397 69 L 5.0494 8.9746 125.2872 53.5803 43.9250 174.9064 70 V 4.4306 8.7591 127.8329 61.4483 33.3476 174.3517 71 L 5.1807 8.4032 127.4658 53.2562 43.3229 176.3200 72 R 4.3328 8.8463 123.4278 55.6167 31.2206 175.9713 73 L 4.6301 8.3000 122.6165 52.8901 43.4866 176.4850 74 R 4.1717 8.6240 123.3454 55.7437 30.9119 176.8157 75 G 3.7400 8.5972 110.5002 45.6526 0.0000 172.9105 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 4.44 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 2 Q 8.25 4.75 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.89 2.41 0.00 3 I 8.97 4.77 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.80 0.00 0.00 4 F 8.89 5.28 0.00 2.99 2.96 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 5 V 9.16 4.87 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 9.15 5.27 0.00 1.70 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 7 T 8.61 5.12 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 8.62 4.02 0.00 1.66 1.78 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.14 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 1.21 0.00 0.00 10 G 8.09 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 11 K 8.07 4.42 0.00 1.90 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 T 8.57 5.15 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 1.30 0.00 0.00 13 I 9.02 4.69 1.89 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 1.15 0.93 0.00 0.00 14 T 8.43 5.04 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 1.08 0.00 0.00 15 L 8.63 4.83 0.00 1.46 1.45 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.90 0.00 1.80 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 2.18 2.22 0.00 17 V 8.77 4.71 2.03 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 9.31 4.73 0.00 1.98 1.77 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 2.18 2.22 0.00 19 P 0.00 4.14 0.00 2.15 2.08 0.00 3.56 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 2.09 2.06 0.00 20 S 7.88 4.47 0.00 3.96 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 21 D 8.15 4.48 0.00 2.79 2.61 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 0.00 0.00 0.00 0.00 22 T 8.22 4.59 4.47 0.00 0.00 0.00 0.00 0.00 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 23 I 8.57 3.69 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.04 0.93 0.00 0.00 24 E 8.39 3.91 0.00 2.04 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 2.31 2.33 0.00 25 N 8.10 4.30 0.00 2.85 2.96 0.00 0.00 6.86 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 26 V 7.96 3.58 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 0.95 0.00 0.00 0.98 0.00 0.00 27 K 8.60 4.39 0.00 1.99 1.84 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 8.15 4.01 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 29 K 8.24 3.92 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.94 3.73 2.14 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 1.40 0.63 0.94 0.00 0.00 31 Q 8.26 4.13 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.12 4.36 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.22 0.00 1.78 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 E 8.69 4.61 0.00 2.05 1.95 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 2.24 2.43 0.00 35 G 8.06 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 36 I 7.42 4.07 1.87 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 1.42 0.60 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.30 1.98 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.27 0.00 2.17 2.12 0.00 3.60 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 2.12 2.10 0.00 39 D 8.07 4.52 0.00 2.79 2.80 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 40 Q 8.28 4.51 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 8.14 4.84 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 42 R 9.08 4.72 0.00 1.81 1.82 0.00 3.11 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.48 5.05 0.00 1.57 1.56 0.91 0.79 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 44 I 9.00 5.04 1.92 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 1.14 1.06 0.96 0.00 0.00 45 F 9.00 4.97 0.00 3.03 2.68 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 46 A 8.51 3.32 1.12 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 0.00 0.00 0.00 0.00 0.00 47 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 48 K 7.74 4.61 0.00 1.85 1.66 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 49 Q 8.55 4.59 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.69 4.19 0.00 1.42 1.29 0.73 0.01 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 51 E 9.16 4.61 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 2.33 2.42 0.00 52 D 9.12 4.44 0.00 2.72 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 53 G 7.99 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 54 R 7.97 4.37 0.00 2.14 1.70 0.00 3.19 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 55 T 8.59 5.07 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 1.26 0.00 0.00 56 L 8.47 4.06 0.00 1.91 1.70 0.89 0.93 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 57 S 8.36 4.13 0.00 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.19 0.00 2.48 2.32 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 59 Y 7.28 4.63 0.00 3.17 2.96 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 60 N 8.01 4.14 0.00 2.86 2.98 0.00 0.00 7.12 7.46 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 61 I 7.53 3.62 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.61 0.00 0.00 62 Q 8.27 4.67 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 63 K 8.43 3.84 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 9.53 3.92 0.00 2.25 2.43 0.00 0.00 0.00 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 2.50 0.00 65 S 7.88 4.62 0.00 3.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 5.21 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 1.16 0.00 0.00 67 L 9.28 5.06 0.00 1.60 1.58 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.21 5.24 0.00 3.13 3.22 0.00 5.77 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 8.97 5.05 0.00 1.72 1.55 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.43 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 0.96 0.00 0.00 0.94 0.00 0.00 71 L 8.40 5.18 0.00 1.56 1.57 0.93 1.02 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 72 R 8.85 4.33 0.00 1.68 1.85 0.00 3.13 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 73 L 8.30 4.63 0.00 1.61 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.62 4.17 0.00 1.80 1.87 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 1.63 1.62 0.00 75 G 8.60 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