NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9823 8.3393 109.7363 45.5831 0.0000 173.0567 2 S 4.4570 8.0869 116.8134 55.5463 65.4077 173.3232 3 S 4.1250 9.0140 117.0478 59.4574 64.2398 174.8655 4 G 3.7916 7.9777 107.5548 45.6818 0.0000 170.7697 5 S 4.5753 8.1565 118.3018 56.8067 64.8326 173.6069 6 S 4.6078 8.3416 118.4831 56.0289 65.4390 173.5402 7 G 3.9051 8.6056 112.4948 45.0942 0.0000 171.7743 8 P 4.4681 0.0000 0.0000 62.3128 32.1328 176.7719 9 S 4.2462 8.5340 114.9538 60.6453 63.6336 174.5925 10 S 4.4951 7.8435 115.3208 57.1682 62.9491 173.2128 11 S 4.7016 8.4302 122.9607 57.2013 66.4025 173.9630 12 Q 4.6098 8.5335 124.9395 55.0935 28.7272 176.0736 13 S 4.3361 7.7110 113.4213 58.8340 64.7756 172.8778 14 E 4.6474 8.2831 121.5445 55.5337 32.2001 174.8523 15 E 4.7311 8.4756 120.9720 55.0415 31.6968 175.5061 16 K 3.9436 8.7896 122.4240 56.8229 32.7963 175.8570 17 A 4.7716 8.1311 127.3510 49.3271 22.2996 173.8028 18 P 4.3818 0.0000 0.0000 62.2871 32.0969 176.0787 19 E 3.9364 8.6263 121.6628 55.3145 30.4577 176.9851 20 L 3.9433 8.4009 121.0394 55.2974 40.6138 175.5694 21 P 4.3010 0.0000 0.0000 62.3950 30.6576 176.3540 22 K 3.9908 8.5910 123.6374 55.9073 32.5303 176.4644 23 P 4.4111 0.0000 0.0000 64.6257 31.9500 176.8732 24 K 4.2670 7.6542 116.9234 58.1987 34.2021 178.0294 25 K 3.8056 8.7286 118.1198 58.2151 31.0468 173.4937 26 N 4.2016 8.0181 108.6435 53.6737 36.5365 173.5631 27 R 5.0043 7.9267 115.1032 55.0452 34.5044 175.3848 28 C 4.0501 8.7117 121.6733 60.3044 31.9557 174.0964 29 F 4.5083 8.7929 125.6324 58.1759 39.4232 175.5751 30 M 4.2749 8.0205 118.0761 57.0419 33.8059 175.7965 31 C 4.4766 7.9100 109.9034 56.9845 31.9309 173.1653 32 R 4.4803 7.8936 117.1357 57.0724 26.5169 175.4804 33 K 4.5314 7.3442 118.2254 53.7309 35.3694 174.5013 34 K 4.2356 8.6726 125.3690 57.2941 32.2350 176.3391 35 V 4.3055 8.0314 119.6615 59.8442 35.2689 181.1446 36 G 3.8719 8.6711 104.6093 46.6872 0.0000 174.4077 37 L 4.1836 9.1542 121.5395 57.5091 42.1414 177.1460 38 T 4.3668 8.6852 109.3053 62.0632 69.0437 174.8467 39 G 4.0197 7.8796 108.7352 46.7010 0.0000 173.7930 40 F 4.6004 9.3260 122.2217 56.4668 42.6945 173.1001 41 D 5.1895 8.4778 126.7898 53.3862 41.5212 176.2765 42 C 4.4656 9.1218 124.8767 58.1089 32.7517 174.6526 43 R 3.5009 7.8221 121.6164 58.9051 29.4946 178.0203 44 C 3.7307 7.2735 110.2270 58.6080 29.8479 172.9926 45 G 3.5371 7.5338 108.0242 46.8792 0.0000 172.2839 46 N 4.8232 7.5340 114.1629 50.9696 44.0229 173.7272 47 L 5.1785 7.7432 120.7709 53.5366 44.9282 174.9818 48 F 5.2893 9.5766 123.5734 55.4632 44.0099 174.6623 49 C 4.7122 8.9373 115.0444 58.6087 29.3490 174.9025 50 G 3.9796 8.5469 112.7484 46.4184 0.0000 176.3121 51 L 3.8460 7.6974 118.1454 56.8245 41.7315 177.2981 52 H 4.9952 7.9790 112.7760 55.1339 30.7858 175.0093 53 R 3.3987 7.3167 116.4360 59.1804 28.4847 176.5299 54 Y 4.1006 7.3848 116.5418 57.1078 38.8876 177.6701 55 S 4.3272 8.7113 115.6490 60.6773 63.7910 175.2058 56 D 5.0347 8.0749 118.8079 54.0145 40.7883 176.6168 57 K 4.4183 8.0809 120.2171 57.6143 33.8016 176.9690 58 H 4.9383 7.3946 111.6488 54.6524 28.9952 173.8129 59 N 4.1158 8.2492 114.0741 54.3085 35.6057 174.7389 60 C 4.2066 8.0726 117.3609 59.3782 32.2613 171.6780 61 P 4.3993 0.0000 0.0000 65.5663 31.2965 175.8485 62 Y 4.3357 8.1217 119.0693 57.7917 39.0221 175.0914 63 D 4.9020 7.8876 117.1732 52.5124 41.0569 177.1769 64 Y 4.2311 8.2942 119.2884 60.2035 38.4877 178.8226 65 K 3.3606 7.4205 118.4966 59.2376 32.4868 178.4726 66 A 4.6702 8.0990 121.6969 51.7745 19.3888 177.0097 67 E 4.3960 7.7736 117.0699 58.7345 31.8125 176.3855 68 A 4.6260 7.7416 120.6163 51.9211 20.8362 176.5090 69 S 3.8095 8.8139 116.2407 59.2253 60.8952 173.8411 70 G 4.1406 7.5077 106.9274 43.4329 0.0000 172.0351 71 P 4.3836 0.0000 0.0000 63.6898 31.9821 176.6815 72 S 3.9825 7.3305 113.5336 58.3673 62.2946 174.4958 73 S 3.9294 8.6307 120.8470 58.7410 63.0629 175.3235 74 G 3.5118 8.9797 112.6719 45.2032 0.0000 173.1973 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 G 8.34 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 2 S 8.09 4.46 0.00 4.02 3.79 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 0.00 0.00 0.00 3 S 9.01 4.13 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.98 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.16 4.58 0.00 3.82 3.78 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 6 S 8.34 4.61 0.00 3.77 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 7 G 8.61 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.19 2.06 0.00 3.76 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 9 S 8.53 4.25 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.84 4.50 0.00 3.85 3.80 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 11 S 8.43 4.70 0.00 3.83 3.69 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 0.00 0.00 0.00 0.00 12 Q 8.53 4.61 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 13 S 7.71 4.34 0.00 3.93 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 14 E 8.28 4.65 0.00 1.88 1.81 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 2.07 2.16 0.00 15 E 8.48 4.73 0.00 2.03 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 2.08 2.25 0.00 16 K 8.79 3.94 0.00 1.71 1.76 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.50 7.81 17 A 8.13 4.77 1.23 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 0.00 0.00 0.00 18 P 0.00 4.38 0.00 2.18 2.07 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 19 E 8.63 3.94 0.00 1.97 1.96 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 2.33 2.29 0.00 20 L 8.40 3.94 0.00 1.74 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.30 0.00 2.19 2.14 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 22 K 8.59 3.99 0.00 1.83 1.79 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.45 7.81 23 P 0.00 4.41 0.00 2.17 2.18 0.00 3.70 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 1.97 1.94 0.00 24 K 7.65 4.27 0.00 1.99 1.99 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.32 7.81 25 K 8.73 3.81 0.00 1.80 1.84 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 26 N 8.02 4.20 0.00 2.98 3.01 0.00 0.00 5.86 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 27 R 7.93 5.00 0.00 1.89 1.80 0.00 3.18 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 C 8.71 4.05 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.51 0.00 2.76 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 30 M 8.02 4.27 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.39 0.00 31 C 7.91 4.48 0.00 3.13 3.05 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 0.00 32 R 7.89 4.48 0.00 1.93 2.02 0.00 3.09 0.00 0.00 3.72 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 33 K 7.34 4.53 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.40 7.81 34 K 8.67 4.24 0.00 1.76 1.76 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 35 V 8.03 4.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 36 G 8.67 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 0.00 0.00 0.00 37 L 9.15 4.18 0.00 1.66 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.69 4.37 4.30 0.00 0.00 0.00 0.00 0.00 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 39 G 7.88 4.02 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 0.00 0.00 0.00 40 F 9.33 4.60 0.00 3.27 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 41 D 8.48 5.19 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 9.12 4.47 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 43 R 7.82 3.50 0.00 0.67 0.91 0.00 3.32 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 44 C 7.27 3.73 0.00 3.04 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 45 G 7.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.53 4.82 0.00 2.06 1.42 0.00 0.00 5.52 6.11 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 47 L 7.74 5.18 0.00 1.65 1.35 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.58 5.29 0.00 3.06 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 49 C 8.94 4.71 0.00 3.19 3.23 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 0.00 50 G 8.55 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 51 L 7.70 3.85 0.00 1.61 1.62 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.98 5.00 0.00 3.50 3.57 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.32 3.40 0.00 0.71 1.18 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 54 Y 7.38 4.10 0.00 2.97 2.90 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 55 S 8.71 4.33 0.00 4.09 4.34 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 56 D 8.07 5.03 0.00 2.65 2.69 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 0.00 0.00 0.00 0.00 57 K 8.08 4.42 0.00 2.08 1.93 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.32 7.81 58 H 7.39 4.94 0.00 3.84 3.62 0.00 5.71 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.25 4.12 0.00 3.00 2.99 0.00 0.00 7.10 7.72 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 60 C 8.07 4.21 0.00 2.79 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 61 P 0.00 4.40 0.00 2.34 2.29 0.00 4.03 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 62 Y 8.12 4.34 0.00 2.87 3.22 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 63 D 7.89 4.90 0.00 2.82 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 64 Y 8.29 4.23 0.00 3.34 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.42 3.36 0.00 1.61 1.34 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.32 7.81 66 A 8.10 4.67 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 67 E 7.77 4.40 0.00 2.00 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 2.28 2.34 0.00 68 A 7.74 4.63 1.25 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 0.00 0.00 69 S 8.81 3.81 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 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 0.00 0.00 0.00 0.00 71 P 0.00 4.38 0.00 2.18 2.17 0.00 3.79 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 1.97 1.94 0.00 72 S 7.33 3.98 0.00 4.02 3.99 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 73 S 8.63 3.93 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00