NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3223 8.3449 119.6877 55.3586 30.7212 175.6992 13 R 4.3693 7.3700 118.7850 52.9758 31.8919 172.9577 14 P 4.3240 0.0000 0.0000 65.0325 32.3042 177.6734 15 L 4.0307 7.9633 117.2545 57.3586 41.3721 178.9393 16 D 4.4239 8.0381 118.9063 57.0881 40.4751 178.0553 17 A 3.9629 7.7321 120.6353 55.4514 18.4457 179.4628 18 L 3.9768 7.5833 116.8294 57.6700 41.5714 179.5162 19 G 4.0137 7.8254 105.7116 48.0890 0.0000 174.8479 20 N 4.7189 8.4560 116.3116 54.3582 38.9592 176.3133 21 S 4.6708 8.1288 116.5960 56.8689 63.8693 173.7180 22 L 4.3621 7.2101 122.4208 56.6725 41.8264 176.9542 23 N 4.3701 9.7370 119.5603 53.8866 36.9112 174.0226 24 S 4.9485 7.7991 114.0683 55.7906 66.8208 171.7555 25 P 4.9620 0.0000 0.0000 62.9543 31.7135 176.1453 26 V 4.6581 9.0986 116.8531 59.7389 36.8849 174.1859 27 I 4.7255 8.6667 122.1876 59.7492 40.0198 174.9537 28 I 4.5231 9.2303 128.5374 59.4381 39.6396 174.4942 29 K 4.5950 8.3457 129.6109 54.8138 33.1900 175.7973 30 L 4.9749 8.7555 127.9857 52.8099 44.5366 176.1889 31 K 4.2230 8.5520 120.0146 57.5237 32.5807 178.2752 32 G 3.7432 8.8101 109.8198 45.5011 0.0000 173.4002 33 D 4.4257 7.5110 116.0716 54.6278 40.4121 173.3618 34 R 4.2998 7.5777 117.4540 55.2982 31.7980 174.6062 35 E 5.1199 8.1143 122.3935 54.4515 33.3378 174.2008 36 F 5.3701 9.4592 124.2666 55.8214 43.3368 174.2407 37 R 5.0973 8.4655 120.2176 53.8485 34.3437 175.0627 38 G 3.9473 8.1672 108.2642 46.3778 0.0000 171.1936 39 V 4.7517 7.9158 121.1032 60.8840 33.0015 175.9236 40 L 4.2327 8.5718 131.3144 56.0795 42.1997 177.2840 41 K 3.9388 8.8306 125.4719 57.1474 34.7973 176.1950 42 S 4.6674 7.7525 111.7831 57.8041 65.5491 174.0645 43 F 5.9112 8.1465 116.5099 57.4889 40.2532 172.6160 44 D 5.1057 8.3576 119.9527 51.0590 42.1612 176.3929 45 L 4.0569 8.4008 118.1314 59.3570 40.6855 177.7001 46 H 4.3948 8.0989 114.3196 56.4284 28.8813 176.0689 47 M 3.2909 8.2169 118.2597 55.7092 29.8907 176.3107 48 N 4.9624 8.7030 118.0758 53.4067 39.8412 174.2317 49 L 5.2712 9.1014 122.4567 54.3803 44.8828 174.7524 50 V 4.8599 8.8770 120.1858 61.1834 34.0899 174.3430 51 L 5.3212 8.8632 127.1267 53.0635 45.2651 175.1106 52 N 5.3101 8.6500 118.8446 51.8732 41.9594 174.3439 53 D 4.5862 8.6232 119.4752 55.3037 39.4319 174.2488 54 A 4.6246 7.9534 119.6370 52.0940 20.1206 177.6042 55 E 5.1108 9.7923 120.7364 54.5886 33.4453 174.4872 56 E 4.4903 9.1424 125.9645 54.5259 31.5207 174.5782 57 L 5.2392 8.2134 125.0445 54.4555 44.6961 174.8694 58 E 4.6744 8.8670 119.3864 56.0250 33.1624 175.6109 59 D 4.1655 10.0041 120.3451 55.1665 38.7247 173.5706 60 G 4.2017 8.4285 109.0616 45.6396 0.0000 174.9563 61 E 4.0632 7.8703 119.8584 55.4852 29.9756 176.4991 62 V 4.0123 8.3064 123.9996 63.5682 32.1354 175.4334 63 T 4.3416 8.8951 124.4236 65.5725 69.5681 174.8718 64 R 4.6895 7.5714 118.8484 55.3196 33.8210 173.7949 65 R 5.1910 8.5215 120.7437 54.3738 33.8224 175.2408 66 L 4.6728 9.2218 122.2866 52.8618 45.0123 177.7514 67 G 3.8121 9.0041 111.7250 49.7089 0.0000 173.0695 68 T 5.1870 7.5748 113.7319 62.6043 72.5741 173.6403 69 V 4.4365 8.6916 124.4278 60.0953 35.3571 173.3060 70 L 4.8844 8.4503 125.2819 53.6493 43.5211 175.1319 71 I 4.4025 8.6817 127.9628 59.3946 39.5742 175.6147 72 R 4.5121 8.5454 126.3867 55.6066 30.9762 177.7552 73 G 4.0809 9.5563 112.1108 48.1677 0.0000 175.0175 74 D 4.3753 8.1389 117.7868 56.2131 41.3738 176.2387 75 N 4.7142 7.9111 114.9093 53.8585 39.3711 174.9288 76 I 4.1281 7.7248 120.6379 61.2116 37.9714 175.5711 77 V 4.2371 8.6842 125.7385 64.7359 32.4195 175.2532 78 Y 4.9392 7.1081 115.7347 56.1708 41.1955 173.0261 79 I 5.0684 8.5337 120.5528 59.6823 40.3892 174.8314 80 S 4.7629 9.1817 122.9778 55.5371 64.5827 172.3029 81 P 4.4431 0.0000 0.0000 63.0593 31.2633 176.1427 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 12 Q 8.34 4.32 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 13 R 7.37 4.37 0.00 2.10 1.83 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 14 P 0.00 4.32 0.00 2.14 2.08 0.00 3.61 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 2.11 2.17 0.00 15 L 7.96 4.03 0.00 1.74 1.84 0.98 1.12 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 16 D 8.04 4.42 0.00 2.76 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 7.73 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.98 0.00 0.96 0.33 0.33 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.83 4.01 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 0.00 0.00 0.00 20 N 8.46 4.72 0.00 2.70 2.90 0.00 0.00 6.93 7.60 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 21 S 8.13 4.67 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.21 4.36 0.00 1.65 1.69 1.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.74 4.37 0.00 2.82 2.96 0.00 0.00 6.80 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 24 S 7.80 4.95 0.00 3.91 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 4.96 0.00 1.95 2.01 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 9.10 4.66 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 0.90 0.00 0.00 1.00 0.00 0.00 27 I 8.67 4.73 2.04 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 1.01 0.00 0.00 28 I 9.23 4.52 1.96 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 1.16 0.91 0.90 0.00 0.00 29 K 8.35 4.59 0.00 0.86 0.74 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 1.12 7.81 30 L 8.76 4.97 0.00 1.60 1.69 1.13 0.82 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 8.55 4.22 0.00 1.64 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.67 7.81 32 G 8.81 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 33 D 7.51 4.43 0.00 2.62 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 7.58 4.30 0.00 1.90 1.76 0.00 3.30 0.00 0.00 3.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 35 E 8.11 5.12 0.00 2.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 36 F 9.46 5.37 0.00 2.91 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 37 R 8.47 5.10 0.00 1.73 1.80 0.00 3.18 0.00 0.00 3.29 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 38 G 8.17 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 0.00 0.00 0.00 39 V 7.92 4.75 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 0.99 0.00 0.00 0.95 0.00 0.00 40 L 8.57 4.23 0.00 1.86 1.75 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.83 3.94 0.00 1.73 1.81 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.83 7.81 42 S 7.75 4.67 0.00 3.81 3.63 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 0.00 0.00 0.00 0.00 43 F 8.15 5.91 0.00 3.06 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 44 D 8.36 5.11 0.00 2.88 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 45 L 8.40 4.06 0.00 1.74 1.83 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.10 4.39 0.00 3.38 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.22 3.29 0.00 2.22 2.26 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 2.52 2.46 0.00 48 N 8.70 4.96 0.00 3.07 2.76 0.00 0.00 6.52 7.36 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 49 L 9.10 5.27 0.00 1.93 1.83 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.88 4.86 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 1.08 0.00 0.00 0.92 0.00 0.00 51 L 8.86 5.32 0.00 1.54 1.50 0.91 0.81 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 52 N 8.65 5.31 0.00 2.73 2.69 0.00 0.00 7.12 8.09 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 53 D 8.62 4.59 0.00 2.80 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 54 A 7.95 4.62 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.79 5.11 0.00 1.87 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 2.24 2.26 0.00 56 E 9.14 4.49 0.00 1.69 1.58 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 1.74 1.47 0.00 57 L 8.21 5.24 0.00 1.73 1.61 0.94 0.80 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 8.87 4.67 0.00 1.91 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 2.13 2.15 0.00 59 D 10.00 4.17 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.06 0.00 2.13 1.87 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 2.31 2.37 0.00 62 V 8.31 4.01 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 0.83 0.00 0.00 0.92 0.00 0.00 63 T 8.90 4.34 4.16 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 1.18 0.00 0.00 64 R 7.57 4.69 0.00 1.85 1.72 0.00 3.17 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 65 R 8.52 5.19 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 66 L 9.22 4.67 0.00 1.58 1.53 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.00 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 0.00 0.00 0.00 68 T 7.57 5.19 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 1.19 0.00 0.00 69 V 8.69 4.44 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 0.45 0.00 0.00 0.65 0.00 0.00 70 L 8.45 4.88 0.00 1.60 1.55 0.93 0.98 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 71 I 8.68 4.40 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.34 0.85 0.00 0.00 72 R 8.55 4.51 0.00 1.86 1.84 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 73 G 9.56 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.14 4.38 0.00 2.65 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 75 N 7.91 4.71 0.00 2.86 2.83 0.00 0.00 6.86 8.62 0.00 0.00 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 7.72 4.13 1.96 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 1.16 0.68 0.91 0.00 0.00 77 V 8.68 4.24 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 0.93 0.00 0.00 0.95 0.00 0.00 78 Y 7.11 4.94 0.00 3.01 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 79 I 8.53 5.07 1.87 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 1.22 0.68 0.89 0.00 0.00 80 S 9.18 4.76 0.00 3.98 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 81 P 0.00 4.44 0.00 2.22 2.01 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00