NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3666 0.0000 0.0000 62.0887 33.1122 175.6414 9 V 3.7243 7.8593 118.6277 60.7552 32.1347 173.6639 10 T 4.7127 9.1040 117.9046 60.2089 71.8898 173.5865 11 C 5.0332 8.4746 119.0609 55.6466 44.2137 173.4364 12 C 5.0986 8.2378 116.5388 55.9164 42.2201 173.6979 13 Y 4.0773 8.5310 119.8084 57.9485 39.7631 175.3959 14 N 4.8315 7.6572 114.8836 51.6554 42.7755 173.4601 15 F 5.1417 8.2500 118.8714 55.9508 41.3630 175.5196 16 T 4.3040 8.6987 118.8365 62.1227 67.6207 174.3526 17 N 4.8706 8.9143 124.8943 53.4460 39.0197 174.7043 18 R 4.3084 7.4375 118.6600 53.5423 31.7293 175.9332 19 K 2.0000 7.6389 124.4903 55.5266 32.5289 175.7356 20 I 4.1008 7.1812 126.3471 59.3070 38.7830 175.5133 21 S 3.9911 8.4708 119.0111 58.6834 62.3218 175.3246 22 V 3.7809 8.4361 121.0783 63.5661 31.3733 176.5778 23 Q 4.4866 7.5164 116.5872 55.8529 28.8872 176.0836 24 R 4.5009 8.5061 116.5263 55.5929 31.2700 174.7707 25 L 4.6933 7.7135 118.6548 53.1935 42.0526 176.1901 26 A 4.3189 9.1436 127.3224 54.4736 18.6317 177.3439 27 S 4.8419 7.7747 107.2091 58.3585 66.2413 171.5264 28 Y 5.4855 8.1947 116.2644 56.6414 40.7957 173.7563 29 R 4.4703 8.9704 115.6894 55.3055 33.4201 173.7610 30 R 5.1056 8.2567 117.9445 54.2616 32.9947 176.0513 31 I 4.0295 8.2944 123.6943 61.6154 36.9588 176.1224 32 T 4.3981 8.4863 116.0567 62.0117 71.1310 174.8207 33 S 4.1300 7.9782 117.2972 58.2096 62.6569 174.7715 34 S 4.3407 8.6040 121.6664 60.2041 62.9763 175.3432 35 K 4.1310 8.0232 120.5327 58.6893 32.1161 176.6867 36 C 4.6174 7.8276 116.3352 55.3970 41.1591 171.8583 37 P 4.3058 0.0000 0.0000 63.8576 31.8589 176.4444 38 K 4.6015 7.3445 116.3740 53.6399 35.3936 175.4467 39 E 4.0009 8.7304 122.9650 56.8603 30.3926 175.7992 40 A 4.7234 8.1783 124.2086 51.0878 22.9264 174.8347 41 V 4.4947 8.4648 121.2762 61.2714 33.7975 174.5629 42 I 4.7618 8.6323 129.3438 59.7258 39.2494 174.6283 43 F 5.3113 9.1172 126.9635 56.3252 41.0681 174.7811 44 K 5.0673 9.3257 125.4162 54.9275 34.0174 176.0838 45 T 4.8868 9.1229 118.9698 60.9566 70.2149 175.8108 46 I 3.7005 8.5652 115.5920 63.2356 37.5549 176.9991 47 V 4.0090 7.7907 119.1725 62.1151 31.2192 174.9081 48 A 3.7837 8.0687 119.2625 53.2509 16.5669 177.8804 49 K 4.7339 7.9643 117.9879 56.4849 34.7539 175.6090 50 E 5.3786 8.7330 122.3331 55.0578 31.9383 175.5160 51 I 4.8343 8.7797 122.8589 59.8776 41.9749 173.9532 52 C 5.1508 9.0338 123.4947 56.8614 43.0292 172.4699 53 A 5.1774 9.1213 124.0941 50.1670 22.9429 174.9717 54 D 3.3700 8.0859 121.3230 52.6433 41.2996 175.2426 55 P 4.0523 0.0000 0.0000 65.3152 31.4649 177.9309 56 K 4.0335 7.8117 116.5975 58.4536 32.1000 177.6409 57 Q 4.1377 7.6256 118.8974 55.0640 29.5723 177.0586 58 K 3.9101 8.7426 122.9904 59.3503 32.3690 179.2179 59 W 4.2949 8.2395 116.5516 59.5150 27.9830 178.3648 60 V 3.0761 6.5109 118.7835 65.6357 30.8866 177.9448 61 Q 3.9746 7.7131 116.9556 58.3726 28.6907 177.8851 62 D 4.6924 7.9325 121.5864 56.5114 40.8475 178.8538 63 S 4.2010 7.9579 115.8129 61.5626 62.6895 176.7743 64 I 3.4805 7.6889 122.5541 64.2976 36.2519 178.2041 65 D 4.3352 8.1800 119.8091 57.3531 40.5411 178.4653 66 H 4.2214 8.2789 118.8059 59.4097 29.8149 177.4418 67 L 4.1086 8.1717 119.5548 57.7560 41.4427 179.0571 68 D 4.6078 8.2877 118.7961 57.2795 40.8807 178.5475 69 K 4.1810 7.8013 117.9571 58.6285 32.4389 177.8148 70 Q 4.5210 7.7403 117.4307 56.1256 29.5799 175.9375 71 T 4.1866 7.6005 115.4292 63.2154 68.8511 173.3085 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 8 P 0.00 4.37 0.00 2.06 2.14 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 9 V 7.86 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 10 T 9.10 4.71 4.29 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 1.24 0.00 0.00 11 C 8.47 5.03 0.00 2.75 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 12 C 8.24 5.10 0.00 2.77 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 13 Y 8.53 4.08 0.00 2.90 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 14 N 7.66 4.83 0.00 2.66 2.66 0.00 0.00 6.83 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 15 F 8.25 5.14 0.00 3.12 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 16 T 8.70 4.30 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 N 8.91 4.87 0.00 2.81 2.91 0.00 0.00 6.93 7.66 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 18 R 7.44 4.31 0.00 1.69 1.70 0.00 3.16 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 19 K 7.64 2.00 0.00 0.79 0.97 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.95 0.86 7.81 20 I 7.18 4.10 1.79 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.87 0.00 0.00 21 S 8.47 3.99 0.00 3.78 3.71 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 22 V 8.44 3.78 2.01 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 0.73 0.00 0.00 0.84 0.00 0.00 23 Q 7.52 4.49 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 24 R 8.51 4.50 0.00 1.89 1.88 0.00 3.08 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 25 L 7.71 4.69 0.00 1.64 1.68 0.55 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.14 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.77 4.84 0.00 3.85 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 28 Y 8.19 5.49 0.00 2.72 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 29 R 8.97 4.47 0.00 1.76 1.90 0.00 2.69 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 30 R 8.26 5.11 0.00 1.69 1.85 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 31 I 8.29 4.03 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.87 0.00 0.00 32 T 8.49 4.40 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 1.24 0.00 0.00 33 S 7.98 4.13 0.00 3.86 3.77 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 34 S 8.60 4.34 0.00 4.01 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 35 K 8.02 4.13 0.00 1.78 1.93 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.41 7.81 36 C 7.83 4.62 0.00 3.03 2.88 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 37 P 0.00 4.31 0.00 2.08 2.12 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 38 K 7.34 4.60 0.00 1.53 1.70 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.19 7.81 39 E 8.73 4.00 0.00 1.93 1.90 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 2.27 2.30 0.00 40 A 8.18 4.72 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.46 4.49 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 0.00 0.00 0.67 0.00 0.00 42 I 8.63 4.76 1.85 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 0.68 0.98 0.00 0.00 43 F 9.12 5.31 0.00 3.12 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 44 K 9.33 5.07 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.41 7.81 45 T 9.12 4.89 4.36 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 1.32 0.00 0.00 46 I 8.57 3.70 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 1.20 0.61 0.93 0.00 0.00 47 V 7.79 4.01 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 0.83 0.00 0.00 0.95 0.00 0.00 48 A 8.07 3.78 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.73 0.00 1.77 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 50 E 8.73 5.38 0.00 1.89 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 2.29 2.36 0.00 51 I 8.78 4.83 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.13 0.00 0.00 52 C 9.03 5.15 0.00 3.14 3.17 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 0.00 0.00 0.00 0.00 53 A 9.12 5.18 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 54 D 8.09 3.37 0.00 1.58 2.06 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 1.91 1.95 0.00 3.38 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 56 K 7.81 4.03 0.00 1.69 1.78 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 57 Q 7.63 4.14 0.00 1.67 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 58 K 8.74 3.91 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.50 7.81 59 W 8.24 4.29 0.00 3.60 3.29 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 60 V 6.51 3.08 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.61 0.00 0.00 61 Q 7.71 3.97 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 62 D 7.93 4.69 0.00 2.77 2.73 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 63 S 7.96 4.20 0.00 4.08 3.76 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 64 I 7.69 3.48 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.60 0.49 0.00 0.00 65 D 8.18 4.34 0.00 2.86 2.73 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 66 H 8.28 4.22 0.00 3.35 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.17 4.11 0.00 1.89 2.01 1.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.29 4.61 0.00 2.92 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 69 K 7.80 4.18 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.69 7.81 70 Q 7.74 4.52 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 71 T 7.60 4.19 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