NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2811 8.4449 121.4692 55.6362 30.1283 175.5831 4 R 3.9180 7.9329 122.0281 54.3372 32.4863 174.1234 5 P 4.2067 0.0000 0.0000 66.2444 31.7433 178.8153 6 L 3.9221 7.8407 116.6298 57.4231 41.4718 179.2711 7 D 4.2957 7.8239 118.7264 57.3466 40.6897 178.6336 8 V 3.5508 7.5948 117.2782 65.9505 31.8323 177.7664 9 I 3.6766 7.6048 119.4225 64.6743 37.0441 177.7101 10 H 4.1119 8.0820 119.1593 59.5188 29.4093 177.2044 11 R 3.9593 7.9888 119.2573 59.1391 30.2228 177.9033 12 S 4.3306 7.8802 113.3899 58.2920 63.0975 174.1227 13 L 4.3044 6.9068 122.0132 56.5333 41.8627 176.9146 14 D 4.4649 9.4131 120.3750 54.8226 39.2652 173.4150 15 K 4.7559 7.6907 118.4025 54.0528 36.5042 174.7416 16 D 5.0107 8.5038 121.3663 54.5830 42.4797 175.3985 17 V 4.9653 9.2924 118.3062 59.5349 36.7664 173.8986 18 L 5.0637 9.2602 125.1412 53.4273 44.5320 175.2569 19 V 4.7453 8.8914 127.0877 61.2903 33.3488 174.1702 20 I 4.3838 8.8232 130.5504 60.8539 38.5196 175.7549 21 L 4.9835 8.5165 126.6389 52.6080 44.6225 176.7237 22 K 4.5774 7.8671 119.9033 54.8306 28.6138 175.5816 23 K 4.4850 8.0223 120.8248 57.2383 40.0610 176.6400 24 G 3.9015 7.5727 103.7939 45.2903 0.0000 174.0569 25 F 4.8163 8.0151 119.0876 57.3813 40.6908 174.2740 26 E 5.0198 9.0280 118.4051 55.5569 33.5534 173.5421 27 F 5.5235 9.2022 118.3926 55.7591 42.6479 174.7402 28 R 5.0427 9.3484 121.7495 54.2677 33.6784 174.7656 29 G 4.1076 8.0477 111.0688 46.4696 0.0000 170.9900 30 R 4.9245 7.8269 120.6910 54.8288 31.3933 175.4547 31 L 4.6442 9.0023 130.5357 55.1955 42.7910 176.7993 32 I 4.5480 8.3886 118.8061 60.0420 38.8153 175.1828 33 G 4.1110 7.7688 109.1823 46.7716 0.0000 171.5609 34 Y 5.3454 7.6664 117.6575 56.6880 40.8884 172.0738 35 D 4.8227 8.7242 118.3805 51.3071 42.7212 176.0926 36 I 3.7123 8.2800 118.2350 64.3070 37.8323 176.0326 37 H 4.5310 8.1102 114.6151 55.7445 28.7540 175.0376 38 L 3.7699 7.9513 118.4304 55.7487 39.5887 174.1387 39 N 4.9146 8.3685 116.0112 53.3004 39.9558 174.8853 40 V 5.0488 8.7085 114.7366 59.6503 36.9211 174.4166 41 V 4.8047 8.8493 121.6901 61.1956 34.1672 174.2772 42 L 5.3289 9.0714 127.2622 52.9024 45.2937 175.2919 43 A 4.9738 8.8025 123.4978 50.3022 22.1297 175.8289 44 D 4.2524 8.6075 118.3235 55.3175 39.1304 173.4554 45 A 5.1352 8.1512 120.7719 50.8454 22.2852 177.5291 46 E 5.1943 9.4263 118.6114 54.8140 33.9359 174.6734 47 M 4.6504 9.2126 124.3051 54.8135 33.8907 174.8605 48 I 5.1266 9.1777 126.7733 59.5373 41.3932 174.3162 49 Q 4.4438 9.0813 126.4309 54.4573 31.9446 174.7437 50 D 4.3015 9.6892 127.2241 55.3706 39.6272 174.3173 51 G 3.9685 8.3727 104.3395 45.3105 0.0000 173.4767 52 E 4.5869 7.9821 120.2447 54.2165 31.3689 175.4147 53 V 4.2538 8.3104 123.1827 62.9758 31.9775 175.7856 54 V 4.4323 8.3942 119.9271 61.6084 33.5042 175.8054 55 K 4.4741 7.5768 117.7920 55.4546 36.3989 174.6215 56 R 4.9983 7.9134 120.0037 54.8376 34.2483 174.4710 57 Y 4.7372 8.8711 118.3009 56.5111 42.3385 176.4752 58 G 3.6969 9.1055 111.1925 48.9756 0.0000 173.1916 59 K 5.2491 7.8600 119.6161 54.6847 35.6514 175.0809 60 I 4.4264 8.7692 125.7188 59.5718 41.9367 173.3037 61 V 4.5993 8.1808 128.6432 61.3950 33.0302 174.5540 62 I 4.3404 8.4844 129.3912 59.2250 39.7529 175.5433 63 R 4.5548 8.5583 126.6257 55.7891 30.7370 178.0152 64 G 3.7320 9.9133 113.1302 48.3573 0.0000 175.0506 65 D 4.3516 8.1693 118.4935 56.8150 41.3128 176.3476 66 N 4.7286 8.0491 114.2699 52.9478 39.1509 174.5026 67 V 4.1630 7.5050 119.6164 62.2255 32.4912 175.2488 68 L 4.3689 9.0890 130.1236 57.5026 42.6016 176.0998 69 A 4.7083 7.5793 117.6830 51.1336 22.9221 174.7386 70 I 5.0634 8.1671 118.9155 59.7290 40.9781 175.1836 71 S 4.7244 9.4803 121.5290 55.6556 65.4095 171.0940 72 P 4.9328 0.0000 0.0000 62.8523 32.1784 176.3574 73 T 4.2939 8.8877 113.3877 61.8918 68.5196 173.5921 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 E 8.44 4.28 0.00 1.94 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 2.18 2.34 0.00 4 R 7.93 3.92 0.00 2.08 1.82 0.00 3.21 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 5 P 0.00 4.21 0.00 2.12 2.10 0.00 3.58 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 2.11 2.19 0.00 6 L 7.84 3.92 0.00 1.66 1.69 0.94 1.07 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 7 D 7.82 4.30 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.59 3.55 2.16 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 0.80 0.00 0.00 0.94 0.00 0.00 9 I 7.60 3.68 1.51 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 1.53 0.77 0.29 0.00 0.00 10 H 8.08 4.11 0.00 3.35 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.99 3.96 0.00 1.98 2.09 0.00 3.31 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 S 7.88 4.33 0.00 4.05 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 13 L 6.91 4.30 0.00 1.73 1.64 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.41 4.46 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.76 0.00 1.87 1.67 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.55 7.81 16 D 8.50 5.01 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 9.29 4.97 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 0.80 0.00 0.00 0.99 0.00 0.00 18 L 9.26 5.06 0.00 1.73 1.65 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.89 4.75 2.29 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 1.10 0.00 0.00 0.99 0.00 0.00 20 I 8.82 4.38 1.90 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 0.41 0.93 0.00 0.00 21 L 8.52 4.98 0.00 1.82 1.63 0.96 1.07 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 22 K 7.87 4.58 0.00 1.73 1.81 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 23 K 8.02 4.48 0.00 1.99 2.07 0.00 1.84 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 24 G 7.57 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 0.00 0.00 0.00 25 F 8.02 4.82 0.00 2.93 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 26 E 9.03 5.02 0.00 2.14 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 2.19 2.30 0.00 27 F 9.20 5.52 0.00 3.08 2.92 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 28 R 9.35 5.04 0.00 1.96 1.79 0.00 3.29 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 29 G 8.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 4.92 0.00 1.96 1.83 0.00 3.11 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 31 L 9.00 4.64 0.00 1.82 1.56 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.39 4.55 1.87 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 1.26 0.85 0.92 0.00 0.00 33 G 7.77 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.67 5.35 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 35 D 8.72 4.82 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.71 1.84 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 1.39 0.66 0.66 0.00 0.00 37 H 8.11 4.53 0.00 3.33 3.32 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.95 3.77 0.00 1.85 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.37 4.91 0.00 2.99 2.73 0.00 0.00 6.81 7.24 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 40 V 8.71 5.05 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 0.78 0.00 0.00 0.92 0.00 0.00 41 V 8.85 4.80 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 0.94 0.00 0.00 0.90 0.00 0.00 42 L 9.07 5.33 0.00 1.49 1.50 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.80 4.97 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 44 D 8.61 4.25 0.00 2.76 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 45 A 8.15 5.14 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 46 E 9.43 5.19 0.00 1.93 1.86 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 2.25 2.29 0.00 47 M 9.21 4.65 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.40 0.00 48 I 9.18 5.13 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.98 0.00 0.00 49 Q 9.08 4.44 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.28 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 50 D 9.69 4.30 0.00 2.68 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 51 G 8.37 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 52 E 7.98 4.59 0.00 2.16 1.85 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 2.23 2.20 0.00 53 V 8.31 4.25 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 0.83 0.00 0.00 1.01 0.00 0.00 54 V 8.39 4.43 2.13 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 0.88 0.00 0.00 1.06 0.00 0.00 55 K 7.58 4.47 0.00 1.63 1.24 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.42 7.81 56 R 7.91 5.00 0.00 1.49 1.70 0.00 3.14 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 57 Y 8.87 4.74 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 5.25 0.00 1.73 1.63 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.54 7.81 60 I 8.77 4.43 1.45 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.75 0.60 0.00 0.00 61 V 8.18 4.60 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 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.48 4.34 1.74 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.29 0.90 0.00 0.00 63 R 8.56 4.55 0.00 1.86 1.86 0.00 3.11 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 1.59 0.00 64 G 9.91 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 0.00 0.00 0.00 65 D 8.17 4.35 0.00 2.63 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 66 N 8.05 4.73 0.00 2.84 2.86 0.00 0.00 6.49 8.14 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 67 V 7.50 4.16 2.24 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 0.85 0.00 0.00 1.04 0.00 0.00 68 L 9.09 4.37 0.00 1.65 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.58 4.71 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 70 I 8.17 5.06 1.86 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 1.25 0.72 0.96 0.00 0.00 71 S 9.48 4.72 0.00 3.80 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 72 P 0.00 4.93 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.69 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 73 T 8.89 4.29 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 1.26 0.00 0.00