NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5479 8.3644 120.2030 54.9055 42.3077 175.5229 2 Y 3.4121 8.6995 130.1599 55.8636 37.7077 165.4644 3 K 4.6985 8.1799 117.2844 54.7386 36.6371 176.5655 4 D 4.6580 8.2389 117.6573 54.0026 38.4107 174.7080 5 D 4.7500 7.7647 123.2260 54.7409 42.1128 175.6101 6 D 5.0326 8.8368 123.3444 55.3187 39.1226 175.8465 7 D 4.5486 7.4540 115.1391 56.1478 39.6391 176.4773 8 K 3.5892 8.5990 115.5530 60.2302 32.2269 176.8289 9 L 3.5158 7.4314 112.4780 57.7607 38.8060 173.2583 10 K 4.5143 7.8967 124.1793 54.2155 34.9461 174.8891 11 P 4.1056 0.0000 0.0000 62.2998 30.9162 176.6002 12 D 4.2163 8.4773 124.3910 56.9038 41.1702 177.6585 13 F 4.2450 7.9349 114.8408 60.0805 37.3471 178.0366 14 C 4.5011 6.3779 116.4107 59.7111 39.9699 175.2375 15 F 4.6218 7.0606 116.5055 57.3757 39.0535 175.6058 16 L 4.2356 7.4248 122.3804 54.1360 42.5090 176.3020 17 E 4.1964 8.8844 124.0735 56.1605 29.8592 176.6199 18 E 3.1761 7.9596 117.6368 55.9822 30.2527 176.3591 19 D 4.5362 7.8017 120.3829 52.1122 43.2661 173.9540 20 P 4.6868 0.0000 0.0000 66.8776 32.4804 174.4389 21 G 4.0430 7.7092 104.8285 44.4372 0.0000 172.6608 22 I 4.0683 8.2634 120.3243 63.1175 38.6026 174.8877 23 C 4.1398 7.9101 119.0922 55.7577 41.6592 174.6957 24 R 4.2182 8.1150 128.4063 55.7206 27.8784 177.2383 25 G 3.3213 7.5821 108.6596 47.0845 0.0000 168.9795 26 Y 3.9897 8.3326 126.1026 57.4790 38.5185 170.2297 27 I 4.5670 8.2875 122.9786 61.1725 39.4778 175.4438 28 T 3.1773 7.7913 114.4275 64.6375 65.1287 171.2005 29 R 4.8025 7.9344 123.8114 54.7425 33.8098 174.4840 30 Y 5.7859 9.6719 116.6596 57.0831 42.3682 175.0394 31 F 5.6329 9.2888 114.9821 56.0722 41.8190 173.1835 32 Y 4.2984 9.2753 123.2450 57.1275 38.5669 173.7138 33 N 4.6537 8.0836 127.2209 52.2112 39.9163 175.8449 34 N 4.4885 9.0537 123.7193 55.4789 38.0426 176.7104 35 Q 3.9833 8.4660 119.7961 58.7268 29.0167 177.0365 36 T 4.3749 7.4866 104.4911 60.8603 69.7610 174.3865 37 K 3.7285 7.7634 119.0943 56.7705 29.8832 172.3844 38 Q 3.8610 6.6412 118.5895 55.3044 34.7784 173.9626 39 C 4.8083 8.5116 117.9666 56.7149 41.1031 173.5168 40 E 4.8314 8.9446 124.0371 54.2869 32.5170 175.7042 41 R 4.3847 8.6325 122.5802 55.9333 30.6198 175.8589 42 F 5.0819 9.2167 119.4782 54.4272 41.3492 175.0872 43 K 4.1755 8.4542 119.4084 56.7223 32.9862 175.6629 44 Y 4.5148 8.2450 122.3012 56.1487 41.7771 175.3415 45 G 3.9991 9.1543 115.5384 48.6638 0.0000 173.1463 46 G 3.6676 8.9945 111.6759 43.3351 0.0000 174.6329 47 C 3.1574 8.6779 110.5964 54.8753 45.4818 177.7395 48 L 4.2819 8.4582 119.3723 54.5923 42.4262 175.4374 49 G 4.4927 9.8986 102.0552 43.8786 0.0000 169.7036 50 N 4.6490 8.0421 117.5315 52.9637 39.1519 173.7252 51 M 3.8490 8.5840 115.7141 58.4342 32.7330 177.3327 52 N 4.6474 7.0939 118.9914 53.6072 36.8583 174.5683 53 N 5.4345 6.8965 121.0703 52.3955 40.2281 172.9529 54 F 4.5586 9.4675 122.2929 57.4213 40.5447 176.4177 55 E 4.5201 8.9582 120.2307 57.3245 31.0666 177.4662 56 T 4.1452 7.4464 107.9829 58.8133 72.7049 174.4189 57 L 3.5029 6.9039 124.8195 58.4131 42.1218 178.8869 58 E 3.9157 7.9732 118.5437 59.2900 29.3807 178.3868 59 E 3.8388 7.3581 117.3018 59.4560 29.8107 178.0745 60 C 2.0000 7.8927 118.3712 58.1031 41.7052 175.7840 61 K 3.9000 8.0476 120.8038 59.3425 31.8618 178.5085 62 N 4.3109 8.5918 117.9574 56.8957 38.5321 176.8915 63 I 3.7185 7.4231 119.7374 65.0832 37.5663 176.2682 64 C 4.0668 8.4215 117.3073 57.3736 40.2862 174.7602 65 E 3.7256 8.6234 125.8281 58.4714 30.1778 177.6457 66 D 5.1324 8.3960 113.9723 53.3749 37.7219 173.4120 67 G 3.6042 7.5407 114.2413 48.7699 0.0000 170.7082 68 P 4.4694 0.0000 0.0000 62.6385 30.0108 177.7216 69 N 3.7739 7.9348 114.9737 54.9494 40.4730 179.7237 70 G 3.6532 7.8212 108.5428 42.7260 0.0000 173.4265 71 F 4.3785 8.9783 121.0190 57.1331 37.2409 173.3443 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 1 D 8.36 4.55 0.00 2.68 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 2 Y 8.70 3.41 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.18 4.70 0.00 1.77 1.65 0.00 1.41 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.61 1.19 7.81 4 D 8.24 4.66 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 5 D 7.76 4.75 0.00 2.81 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 6 D 8.84 5.03 0.00 2.86 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 7 D 7.45 4.55 0.00 2.83 2.62 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 0.00 0.00 0.00 0.00 8 K 8.60 3.59 0.00 1.90 1.94 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.43 7.81 9 L 7.43 3.52 0.00 1.82 1.79 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.90 4.51 0.00 2.03 1.76 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.26 7.81 11 P 0.00 4.11 0.00 0.49 1.91 0.00 3.41 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.91 0.00 12 D 8.48 4.22 0.00 2.86 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 13 F 7.93 4.24 0.00 3.23 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 14 C 6.38 4.50 0.00 2.03 2.56 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 0.00 0.00 0.00 15 F 7.06 4.62 0.00 3.16 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 16 L 7.42 4.24 0.00 1.78 1.69 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.88 4.20 0.00 2.08 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 2.30 2.28 0.00 18 E 7.96 3.18 0.00 1.16 1.12 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 0.00 1.79 1.88 0.00 19 D 7.80 4.54 0.00 2.58 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 20 P 0.00 4.69 0.00 2.50 2.71 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 21 G 7.71 4.04 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 0.00 0.00 0.00 22 I 8.26 4.07 1.86 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 1.49 0.66 0.91 0.00 0.00 23 C 7.91 4.14 0.00 2.97 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 24 R 8.11 4.22 0.00 1.35 1.31 0.00 3.19 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 25 G 7.58 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 0.00 0.00 0.00 26 Y 8.33 3.99 0.00 3.02 2.87 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 27 I 8.29 4.57 2.01 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.97 0.00 0.00 28 T 7.79 3.18 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 1.10 0.00 0.00 29 R 7.93 4.80 0.00 0.99 2.07 0.00 3.38 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 30 Y 9.67 5.79 0.00 3.09 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 31 F 9.29 5.63 0.00 3.16 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.28 4.30 0.00 3.04 3.12 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 0.00 0.00 0.00 0.00 33 N 8.08 4.65 0.00 1.67 2.30 0.00 0.00 6.84 6.76 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 34 N 9.05 4.49 0.00 2.96 3.19 0.00 0.00 5.88 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 35 Q 8.47 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.46 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 36 T 7.49 4.37 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 1.16 0.00 0.00 37 K 7.76 3.73 0.00 1.80 2.04 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.63 7.81 38 Q 6.64 3.86 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 39 C 8.51 4.81 0.00 2.83 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 40 E 8.94 4.83 0.00 1.61 1.79 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 1.81 2.12 0.00 41 R 8.63 4.38 0.00 1.58 1.71 0.00 3.26 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 42 F 9.22 5.08 0.00 3.09 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 43 K 8.45 4.18 0.00 1.21 1.21 0.00 1.30 0.00 0.00 1.35 0.00 0.00 2.52 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 1.14 7.81 44 Y 8.25 4.51 0.00 2.57 2.59 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 0.00 0.00 0.00 45 G 9.15 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 46 G 8.99 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 47 C 8.68 3.16 0.00 3.12 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 48 L 8.46 4.28 0.00 1.62 1.20 0.93 1.10 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 49 G 9.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.04 4.65 0.00 2.76 2.90 0.00 0.00 5.84 7.65 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 51 M 8.58 3.85 0.00 1.26 2.01 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 52 N 7.09 4.65 0.00 3.23 2.79 0.00 0.00 7.74 8.23 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 53 N 6.90 5.43 0.00 2.78 2.39 0.00 0.00 6.73 5.12 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 54 F 9.47 4.56 0.00 3.46 3.07 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 0.00 0.00 0.00 0.00 55 E 8.96 4.52 0.00 2.03 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 0.00 2.30 2.33 0.00 56 T 7.45 4.15 4.05 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 0.00 0.00 0.00 1.18 0.00 0.00 57 L 6.90 3.50 0.00 1.24 1.44 1.20 0.83 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 58 E 7.97 3.92 0.00 1.97 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 2.34 2.33 0.00 59 E 7.36 3.84 0.00 2.05 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 0.00 2.67 2.51 0.00 60 C 7.89 2.00 0.00 2.63 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 61 K 8.05 3.90 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 62 N 8.59 4.31 0.00 2.91 2.86 0.00 0.00 7.32 7.09 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 63 I 7.42 3.72 2.07 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 1.38 0.00 0.00 64 C 8.42 4.07 0.00 2.92 2.22 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 65 E 8.62 3.73 0.00 2.01 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 0.00 2.57 2.49 0.00 66 D 8.40 5.13 0.00 2.75 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 67 G 7.54 3.60 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 0.00 0.00 0.00 68 P 0.00 4.47 0.00 2.17 2.10 0.00 3.92 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 2.01 1.96 0.00 69 N 7.93 3.77 0.00 2.79 2.67 0.00 0.00 6.23 6.95 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 70 G 7.82 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 71 F 8.98 4.38 0.00 3.13 3.25 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 0.00