NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6199 8.4249 119.2050 53.0613 39.1420 173.9047 11 V 3.7564 8.0945 119.5462 60.3032 32.5357 174.6412 12 Q 4.1854 9.1189 120.7661 55.7459 30.1739 176.5096 13 R 4.1155 8.3794 120.3126 55.3275 32.1992 176.0495 14 P 4.2206 0.0000 0.0000 66.2686 31.2062 179.0361 15 L 4.0616 7.8191 114.6897 57.2130 41.7596 178.6408 16 D 4.6138 8.0936 118.7284 56.9870 41.0312 178.3217 17 A 4.4078 8.2626 122.9423 54.2954 18.2428 179.3386 18 L 3.8924 8.0679 119.2873 58.0973 42.0010 179.3157 19 G 3.9443 8.1252 105.7020 47.6590 0.0000 174.6823 20 N 4.7107 8.1310 116.5700 54.6529 39.0330 175.6780 21 S 4.6546 8.0621 116.5406 57.8844 63.6739 174.0852 22 L 4.3631 7.5612 121.0942 56.3245 41.7195 176.5755 23 N 4.3031 9.4985 119.0510 54.4528 36.7219 174.0191 24 S 4.9316 7.7248 112.6431 55.8775 67.5471 171.5926 25 P 4.9737 0.0000 0.0000 62.7105 32.4273 176.1209 26 V 5.0351 9.2819 116.8246 59.6978 36.8036 174.2894 27 I 4.9168 9.0968 122.8872 59.7326 39.9853 174.8341 28 I 4.6989 9.0468 128.5426 59.4345 39.5412 174.4715 29 K 4.4037 8.2892 129.6709 55.0192 33.2975 175.6580 30 L 5.1865 8.1921 127.3635 52.3068 44.6254 176.3443 31 K 3.9301 8.3844 121.0215 57.6067 33.1678 177.4998 32 G 4.0963 9.3326 114.9250 45.9494 0.0000 174.9827 33 D 4.3494 8.4149 116.7532 54.6787 41.2569 173.7382 34 R 4.2329 7.8306 117.5913 57.0893 31.5124 175.1794 35 E 5.1998 8.2968 119.8462 55.1639 33.7094 173.8379 36 F 5.2995 9.4152 123.8180 55.7998 43.2018 174.3473 37 R 5.0999 9.2521 119.4359 54.1750 34.6423 175.0434 38 G 4.2624 7.9555 108.4057 46.4361 0.0000 171.2644 39 V 4.6370 7.7890 120.2088 61.4356 32.9662 174.9576 40 L 4.2375 9.0322 131.3403 55.5902 42.2303 176.8295 41 K 4.2520 8.8774 129.0330 58.2623 33.6374 175.9290 42 S 4.7321 7.7888 112.2984 58.3384 65.8575 174.3880 43 F 5.6747 8.0740 114.3942 57.5761 40.5881 171.7487 44 D 4.8275 8.4049 116.8375 51.7097 42.1737 175.7903 45 L 4.0795 8.4688 117.5765 57.8545 41.6726 177.8308 46 H 4.5602 8.5842 114.8094 55.7246 29.1493 175.8819 47 M 3.4537 8.4575 118.9659 56.0470 31.4155 175.6495 48 N 4.9289 8.2103 113.9128 53.1892 39.9809 173.9267 49 L 5.3579 8.8628 120.6395 53.0549 46.7878 175.4743 50 V 4.7595 8.6831 120.8648 61.2309 34.0246 174.3495 51 L 5.2775 8.9738 127.7347 53.1517 45.0519 175.4104 52 N 5.0182 9.0508 119.3832 51.4668 41.4603 174.3790 53 D 4.5930 8.2754 118.4268 55.2486 38.6508 173.7787 54 A 5.0734 8.0243 121.2887 51.1121 21.3913 177.8405 55 E 5.0514 9.2226 118.2727 54.6263 33.4033 174.1023 56 E 4.1511 9.0902 123.8531 54.7935 31.9849 174.6013 57 L 5.2589 8.7613 124.5934 53.0524 46.6069 175.3003 58 E 4.3948 9.0610 120.6574 56.3896 32.8570 175.2690 59 D 4.3971 9.8411 126.3487 55.4499 38.5008 175.0602 60 G 3.9795 8.2121 106.1311 45.4717 0.0000 173.2903 61 E 4.5628 8.5181 121.1850 53.8798 31.3013 175.7167 62 V 3.9370 8.3848 123.4847 63.9814 32.0200 175.2962 63 T 4.4277 8.7558 123.5674 64.9273 70.3174 175.1204 64 R 4.5819 7.5708 119.1737 55.1531 33.7864 173.9070 65 R 4.8383 8.5962 124.5776 55.0011 30.8889 175.8316 66 L 4.3410 9.1992 124.6822 53.5641 43.2548 178.8730 67 G 4.0025 8.3485 106.3005 45.8279 0.0000 173.3656 68 T 4.9227 8.3385 121.1780 63.1702 69.4365 174.4040 69 V 4.4919 8.8658 124.6734 59.9698 35.3036 173.6526 70 L 4.9401 8.5415 125.5558 53.6900 43.5158 175.1237 71 I 4.3217 8.3860 127.7607 59.2972 39.8332 175.2410 72 R 4.4765 8.4812 127.4644 55.5714 30.9552 177.0537 73 G 4.1011 9.7587 115.0157 47.5296 0.0000 174.8540 74 D 4.4874 8.0112 117.2069 55.0895 39.7927 176.5702 75 N 4.5952 8.0180 116.9801 54.1087 39.1627 174.9592 76 I 4.2692 7.4549 120.0735 61.0800 38.0249 175.2803 77 V 4.2764 8.7565 125.5010 64.4378 32.2885 175.1129 78 Y 4.9855 7.0739 115.9569 56.0203 41.5651 172.6815 79 I 5.2220 8.5090 120.1950 59.6635 40.3322 175.0978 80 S 4.9610 9.1599 120.4538 56.4025 67.0880 173.1381 81 R 4.7004 8.6531 116.6923 55.7930 30.4713 176.0503 82 G 4.2191 8.7458 108.5832 44.7520 0.0000 173.9720 83 K 4.3599 8.7113 119.3388 56.0872 32.6260 177.1670 84 L 4.0805 7.9390 126.2919 55.5401 41.8205 176.5565 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 10 N 8.42 4.62 0.00 2.68 2.84 0.00 0.00 7.04 6.83 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 11 V 8.09 3.76 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 0.73 0.00 0.00 0.93 0.00 0.00 12 Q 9.12 4.19 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 13 R 8.38 4.12 0.00 1.83 1.86 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 14 P 0.00 4.22 0.00 2.14 2.11 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 2.20 0.00 15 L 7.82 4.06 0.00 1.66 1.86 0.84 1.03 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 16 D 8.09 4.61 0.00 2.92 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 17 A 8.26 4.41 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 18 L 8.07 3.89 0.00 1.61 1.22 -0.13 0.28 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 19 G 8.13 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.13 4.71 0.00 2.80 2.90 0.00 0.00 6.92 7.17 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 21 S 8.06 4.65 0.00 3.99 3.87 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 22 L 7.56 4.36 0.00 1.78 1.66 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.50 4.30 0.00 2.86 2.93 0.00 0.00 6.78 8.13 0.00 0.00 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 S 7.72 4.93 0.00 4.00 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 25 P 0.00 4.97 0.00 2.27 1.99 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 26 V 9.28 5.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.02 0.00 0.00 27 I 9.10 4.92 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 1.00 0.00 0.00 28 I 9.05 4.70 1.92 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 1.15 1.04 0.83 0.00 0.00 29 K 8.29 4.40 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 1.24 7.81 30 L 8.19 5.19 0.00 1.61 1.64 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.38 3.93 0.00 1.78 1.83 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.40 7.81 32 G 9.33 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.41 4.35 0.00 2.81 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 34 R 7.83 4.23 0.00 1.83 1.88 0.00 3.12 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 35 E 8.30 5.20 0.00 2.04 1.66 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 0.00 2.15 2.28 0.00 36 F 9.42 5.30 0.00 2.99 2.93 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 37 R 9.25 5.10 0.00 1.84 1.78 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 G 7.96 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 0.00 0.00 0.00 0.00 39 V 7.79 4.64 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 1.09 0.00 0.00 0.95 0.00 0.00 40 L 9.03 4.24 0.00 1.82 1.77 0.99 0.32 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 41 K 8.88 4.25 0.00 1.79 1.98 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 42 S 7.79 4.73 0.00 3.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.07 5.67 0.00 3.09 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 D 8.40 4.83 0.00 2.78 2.77 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 45 L 8.47 4.08 0.00 1.56 1.73 0.90 1.06 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 46 H 8.58 4.56 0.00 3.39 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.46 3.45 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 48 N 8.21 4.93 0.00 2.95 2.74 0.00 0.00 6.78 6.74 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 49 L 8.86 5.36 0.00 1.52 1.52 0.87 0.64 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 50 V 8.68 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 1.08 0.00 0.00 0.93 0.00 0.00 51 L 8.97 5.28 0.00 1.60 1.54 0.96 0.55 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 52 N 9.05 5.02 0.00 2.63 2.72 0.00 0.00 7.29 8.63 0.00 0.00 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 D 8.28 4.59 0.00 2.76 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 54 A 8.02 5.07 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 55 E 9.22 5.05 0.00 1.94 1.99 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 2.34 2.21 0.00 56 E 9.09 4.15 0.00 1.40 1.56 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 1.91 1.49 0.00 57 L 8.76 5.26 0.00 1.48 1.41 0.86 0.88 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 58 E 9.06 4.39 0.00 1.90 1.68 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 2.17 2.29 0.00 59 D 9.84 4.40 0.00 2.74 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 60 G 8.21 3.98 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 0.00 0.00 0.00 61 E 8.52 4.56 0.00 1.97 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 2.41 2.34 0.00 62 V 8.38 3.94 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 0.78 0.00 0.00 0.94 0.00 0.00 63 T 8.76 4.43 4.14 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 1.22 0.00 0.00 64 R 7.57 4.58 0.00 1.81 1.66 0.00 3.18 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 65 R 8.60 4.84 0.00 1.72 1.86 0.00 3.24 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 66 L 9.20 4.34 0.00 1.60 1.78 1.16 1.01 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 67 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.92 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 1.30 0.00 0.00 69 V 8.87 4.49 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 0.79 0.00 0.00 0.86 0.00 0.00 70 L 8.54 4.94 0.00 1.62 1.57 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.39 4.32 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.30 0.71 0.00 0.00 72 R 8.48 4.48 0.00 1.81 1.76 0.00 3.18 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 73 G 9.76 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.01 4.49 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 75 N 8.02 4.60 0.00 2.89 2.86 0.00 0.00 6.88 6.98 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 76 I 7.45 4.27 1.97 0.00 0.00 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 1.11 0.41 0.89 0.00 0.00 77 V 8.76 4.28 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 0.91 0.00 0.00 0.94 0.00 0.00 78 Y 7.07 4.99 0.00 3.04 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 79 I 8.51 5.22 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.90 0.00 0.00 80 S 9.16 4.96 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.65 4.70 0.00 1.85 1.98 0.00 3.01 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 82 G 8.75 4.22 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 0.00 83 K 8.71 4.36 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 84 L 7.94 4.08 0.00 1.59 1.62 0.93 0.88 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