NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.6669 8.3549 109.7129 45.8544 0.0000 174.6913 4 F 4.5454 8.3963 123.8352 56.6525 39.4880 176.3470 5 C 4.0676 8.3367 122.3447 59.9364 41.2013 174.8748 6 E 3.8412 8.0587 120.4779 59.1509 29.2740 178.9641 7 V 3.5856 7.6924 118.9071 64.6312 31.5141 178.6068 8 C 3.5288 7.7660 119.2046 59.4160 42.9284 175.5396 9 E 3.8576 7.9123 119.9337 59.3052 29.0664 179.5488 10 K 3.8837 7.8863 118.5590 59.2633 32.0864 179.2605 11 L 4.0221 8.2557 121.0244 58.2252 42.0426 179.1671 12 V 3.8199 8.3163 118.7492 65.7851 31.3848 178.1423 13 G 3.6513 8.4847 106.0914 47.8831 0.0000 175.0529 14 Y 4.0656 7.9738 121.7397 60.4564 38.8238 178.0855 15 L 3.7284 8.1593 119.9225 57.6824 41.5061 178.9592 16 D 4.2478 8.1387 117.2621 57.4740 41.2722 178.0896 17 R 4.0024 7.6061 117.3899 58.2380 30.1832 176.4771 18 N 4.6094 7.5753 113.0915 52.6050 39.5336 174.0337 19 L 4.5907 7.6150 118.1720 52.9478 42.9202 175.4143 20 E 4.5743 7.7890 118.4678 54.6307 31.1912 177.9635 21 K 4.2596 8.5489 119.6100 59.0668 32.6878 177.5456 22 N 5.1095 7.2565 113.9302 52.3005 38.9488 174.8442 23 S 4.5087 7.7258 113.8515 58.2909 64.4581 175.7630 24 T 4.1860 9.4008 114.8066 61.2217 70.7120 175.7839 25 K 3.8460 8.6974 122.1829 60.1591 32.0798 179.2294 26 Q 4.0151 8.1077 117.3301 59.2920 28.6898 178.9202 27 E 4.0279 8.1858 119.3806 59.2485 29.3632 179.4363 28 I 3.7202 8.2501 120.4787 64.1446 37.1719 178.1224 29 L 3.9147 8.3818 121.2866 58.2002 41.6251 178.8258 30 A 4.0108 8.1545 120.4247 55.1506 18.3006 179.5242 31 A 4.1629 8.1185 119.2411 55.2662 18.2940 179.5128 32 L 4.0193 8.0684 118.0215 58.3453 42.2781 178.3643 33 E 4.2980 8.1948 115.2408 56.9172 29.8044 176.8501 34 K 4.5099 7.5782 119.7867 55.7574 34.3755 178.0328 35 G 3.2711 8.2816 105.6920 48.2111 0.0000 175.0930 36 C 4.3197 8.1793 118.5508 59.8158 40.0015 175.9496 37 S 3.7414 7.2851 114.2099 60.3884 62.5662 175.5294 38 F 4.6200 7.3143 119.7207 57.1480 39.5692 176.2157 39 L 4.1693 6.7425 118.0868 53.4545 42.2210 175.1043 40 P 4.3613 0.0000 0.0000 63.2808 32.2139 176.9691 41 D 4.4444 9.1322 121.8766 57.5167 40.5736 177.6956 42 P 4.3541 0.0000 0.0000 64.4924 31.5358 177.0089 43 Y 4.3958 8.3189 115.6779 58.5221 38.5630 177.5277 44 Q 4.0310 8.1624 119.6408 59.3007 28.6467 178.9707 45 K 3.9955 7.9583 120.0024 59.1042 32.2517 178.7888 46 Q 4.1328 8.2043 119.3954 59.4359 28.7756 178.9771 47 C 4.3907 8.6579 119.5783 59.9766 43.5793 175.1229 48 D 4.2970 7.9906 120.0335 57.4899 40.3041 178.8090 49 Q 3.9523 8.1256 119.7377 59.0594 29.1294 177.8049 50 F 3.2919 8.1998 121.7245 61.3263 39.3833 177.2460 51 V 3.1989 7.9650 117.5439 65.6530 30.9610 177.9455 52 A 3.8939 7.6868 119.7408 55.3029 18.4273 179.3572 53 E 3.9639 8.1936 115.7267 58.5995 29.7027 177.4923 54 Y 4.3943 7.4733 113.9234 56.9414 39.8771 177.0264 55 E 3.8506 8.2218 121.1761 59.2347 29.4288 177.3440 56 P 4.2283 0.0000 0.0000 65.8155 31.5576 179.0978 57 V 3.7193 7.6824 117.1210 64.4051 31.4183 178.2951 58 L 3.9896 8.2027 120.0180 57.8080 41.0718 179.4332 59 I 3.7150 7.8703 119.7011 64.5459 36.8341 178.3581 60 E 3.9928 7.8023 118.1286 59.1156 29.5309 178.6852 61 I 4.1012 7.6772 117.7612 63.3919 38.2377 177.7291 62 L 4.7419 8.2273 121.3113 57.1495 41.1265 179.8366 63 V 3.6825 7.3535 111.3640 63.9751 31.4233 178.1134 64 E 4.2106 8.0452 118.0102 57.6689 30.4414 177.3922 65 V 4.5634 7.0259 114.4627 60.7129 34.4957 174.7137 66 M 4.6471 8.4941 120.5605 54.7082 33.1144 175.4587 67 D 4.4505 8.1448 119.6607 53.5390 42.1773 174.3854 68 P 4.2704 0.0000 0.0000 66.0615 31.4453 178.7392 69 S 4.0843 8.0125 112.9610 61.5140 62.8353 176.2493 70 F 4.0992 8.6436 123.2400 61.3086 39.2323 176.9121 71 V 3.4802 8.1714 118.0980 66.6093 31.2298 177.4600 72 C 4.3201 8.0962 115.6240 59.5711 41.1046 176.0849 73 L 3.9890 7.5111 121.6904 58.0575 41.5493 178.7387 74 K 3.6368 7.5416 119.1321 59.3018 32.0260 177.4554 75 I 4.0077 7.5560 109.0711 60.9988 37.8275 176.7085 76 G 3.9697 8.2310 109.3495 45.8069 0.0000 174.6474 77 A 4.1061 8.0730 122.9704 54.4263 18.5854 178.7344 78 C 4.7332 8.2261 114.3948 54.8348 41.2354 172.1966 79 P 4.4919 0.0000 0.0000 62.7448 31.1475 175.1610 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 3 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.55 0.00 3.07 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 5 C 8.34 4.07 0.00 3.08 3.04 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 6 E 8.06 3.84 0.00 2.09 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 2.40 2.38 0.00 7 V 7.69 3.59 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 0.90 0.00 0.00 1.05 0.00 0.00 8 C 7.77 3.53 0.00 1.99 2.98 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 0.00 0.00 0.00 9 E 7.91 3.86 0.00 2.14 1.94 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 2.29 2.46 0.00 10 K 7.89 3.88 0.00 1.81 1.64 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.25 7.81 11 L 8.26 4.02 0.00 1.79 1.84 1.02 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 12 V 8.32 3.82 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 1.14 0.00 0.00 1.10 0.00 0.00 13 G 8.48 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 4.07 0.00 3.07 3.19 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 0.00 0.00 0.00 0.00 15 L 8.16 3.73 0.00 1.95 1.71 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.14 4.25 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.61 4.00 0.00 1.90 1.82 0.00 3.38 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 18 N 7.58 4.61 0.00 1.98 2.43 0.00 0.00 6.89 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 19 L 7.61 4.59 0.00 1.74 1.53 0.92 0.71 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 20 E 7.79 4.57 0.00 2.12 1.83 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 2.22 2.22 0.00 21 K 8.55 4.26 0.00 1.73 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.39 7.81 22 N 7.26 5.11 0.00 2.72 2.73 0.00 0.00 7.07 7.45 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 23 S 7.73 4.51 0.00 3.85 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 24 T 9.40 4.19 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 25 K 8.70 3.85 0.00 1.82 1.94 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.57 7.81 26 Q 8.11 4.02 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 27 E 8.19 4.03 0.00 2.19 2.00 0.00 0.00 0.00 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 2.35 0.00 28 I 8.25 3.72 2.02 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 1.64 1.01 0.94 0.00 0.00 29 L 8.38 3.91 0.00 1.80 1.95 0.99 0.95 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 30 A 8.15 4.01 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 31 A 8.12 4.16 1.43 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 0.00 0.00 0.00 0.00 0.00 32 L 8.07 4.02 0.00 1.90 1.96 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.19 4.30 0.00 2.01 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 2.34 2.49 0.00 34 K 7.58 4.51 0.00 2.20 1.90 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 35 G 8.28 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 0.00 0.00 0.00 36 C 8.18 4.32 0.00 2.97 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 37 S 7.29 3.74 0.00 3.75 3.73 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 38 F 7.31 4.62 0.00 2.72 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 39 L 6.74 4.17 0.00 1.79 1.58 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.36 0.00 2.48 2.11 0.00 3.44 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 41 D 9.13 4.44 0.00 2.78 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 42 P 0.00 4.35 0.00 1.76 1.98 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 43 Y 8.32 4.40 0.00 3.24 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 44 Q 8.16 4.03 0.00 2.32 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 45 K 7.96 4.00 0.00 1.88 1.92 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.57 7.81 46 Q 8.20 4.13 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 47 C 8.66 4.39 0.00 3.25 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 48 D 7.99 4.30 0.00 2.92 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 49 Q 8.13 3.95 0.00 2.27 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 50 F 8.20 3.29 0.00 2.62 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 51 V 7.97 3.20 2.15 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 0.89 0.00 0.00 0.98 0.00 0.00 52 A 7.69 3.89 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 53 E 8.19 3.96 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 2.42 2.35 0.00 54 Y 7.47 4.39 0.00 2.32 2.53 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 0.00 0.00 0.00 0.00 55 E 8.22 3.85 0.00 2.00 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 2.30 2.45 0.00 56 P 0.00 4.23 0.00 2.10 2.07 0.00 3.43 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 57 V 7.68 3.72 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 1.01 0.00 0.00 0.96 0.00 0.00 58 L 8.20 3.99 0.00 1.90 1.75 0.56 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.87 3.72 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 1.53 0.95 0.92 0.00 0.00 60 E 7.80 3.99 0.00 2.03 2.04 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 2.56 2.47 0.00 61 I 7.68 4.10 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 1.65 1.49 1.05 0.00 0.00 62 L 8.23 4.74 0.00 1.77 1.74 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.35 3.68 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 0.75 0.00 0.00 1.02 0.00 0.00 64 E 8.05 4.21 0.00 2.14 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 0.00 2.37 2.50 0.00 65 V 7.03 4.56 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 1.02 0.00 0.00 0.96 0.00 0.00 66 M 8.49 4.65 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 67 D 8.14 4.45 0.00 2.82 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 68 P 0.00 4.27 0.00 2.20 2.30 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 69 S 8.01 4.08 0.00 4.06 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 70 F 8.64 4.10 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.17 3.48 2.23 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 1.02 0.00 0.00 1.13 0.00 0.00 72 C 8.10 4.32 0.00 3.05 3.04 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 73 L 7.51 3.99 0.00 1.80 1.74 0.91 0.72 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 74 K 7.54 3.64 0.00 0.81 1.57 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 75 I 7.56 4.01 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 1.02 0.00 0.00 76 G 8.23 3.97 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 0.00 0.00 0.00 77 A 8.07 4.11 1.15 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 0.00 0.00 78 C 8.23 4.73 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 79 P 0.00 4.49 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00