NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 3.9855 8.4145 122.1412 54.0053 34.1520 177.1937 13 T 3.2348 8.6278 100.9603 61.7603 64.3968 173.2409 14 P 4.0382 0.0000 0.0000 60.3231 31.3900 175.7592 15 E 4.7463 8.6862 122.6150 55.9414 29.7368 176.4288 16 E 4.5409 7.7960 115.9197 56.3485 32.5247 173.6980 17 P 4.7826 0.0000 0.0000 62.3541 35.0924 175.0739 18 K 4.0351 8.8982 115.8407 56.4859 35.0500 173.4336 19 E 3.3685 8.4164 116.8341 58.2471 27.8076 174.6543 20 E 4.7194 8.3956 127.2170 55.2439 30.0038 176.3322 21 V 4.2777 9.3836 126.7236 60.9109 34.3551 175.2227 22 T 4.8294 8.2153 116.2576 61.9834 71.5452 173.9542 23 I 4.2505 8.7772 129.0433 59.8978 38.7960 175.1948 24 K 4.7993 8.4581 128.1055 55.4552 33.6436 176.3150 25 V 4.9628 8.9676 124.7252 61.1613 35.2686 173.6339 26 N 5.2220 9.2206 124.6382 51.6167 41.0438 173.7601 27 L 5.0023 9.3824 124.6873 53.4093 43.6030 175.3524 28 I 4.6645 8.8998 126.5037 59.8247 38.8918 175.4828 29 F 5.1301 9.1049 125.7823 55.6559 41.0658 176.9498 30 A 4.0469 8.3959 124.5413 55.6759 18.1598 179.1245 31 D 4.4772 8.1195 112.0064 54.5329 39.4792 177.0017 32 G 4.0902 8.3631 109.2128 45.1384 0.0000 174.3259 33 K 4.3493 8.6466 120.0225 56.4105 33.4066 176.1060 34 I 5.3306 8.3984 123.5539 59.8023 40.0087 174.8768 35 Q 4.9228 9.4825 125.2862 54.4215 32.5521 174.5444 36 T 5.2143 8.5058 116.5517 62.0430 71.5901 173.3099 37 A 4.6511 8.9180 125.2062 50.5693 23.2399 174.7616 38 E 5.0524 8.0065 117.0872 54.5967 33.8578 175.4461 39 F 4.6946 8.7768 119.9239 55.8194 42.7112 174.2921 40 K 4.8853 10.0626 122.6836 55.0917 34.7798 176.8037 41 G 3.7969 7.7274 107.9835 44.5457 0.0000 173.3377 42 T 4.7475 9.5429 116.8650 61.0684 69.2325 175.8953 43 F 3.7865 8.8438 126.7352 61.4803 39.4456 177.4012 44 E 4.0152 8.2428 117.6033 59.4768 29.4129 178.6964 45 E 3.8731 8.1643 117.8200 59.4021 29.6484 178.8471 46 A 3.9558 8.0681 120.4654 55.7776 18.4244 179.8315 47 T 3.4832 7.3505 113.4918 66.6214 68.4634 176.8396 48 A 3.8134 7.6503 122.0493 54.7683 18.2805 179.5429 49 E 3.7991 7.9450 117.2697 59.4241 29.6264 178.8927 50 A 2.8244 6.9892 120.4680 55.2044 18.2802 179.2086 51 Y 3.6524 7.8813 114.7330 61.2739 37.9198 179.1570 52 R 4.0065 8.0231 118.8068 59.5120 30.2354 178.3523 53 Y 4.1514 8.6154 119.3541 60.7096 38.7259 178.0837 54 A 3.8661 8.2225 121.8234 55.2534 17.8744 179.1604 55 D 4.5959 8.4944 117.7309 57.6637 40.7408 178.8505 56 L 3.9740 8.3782 120.2748 58.3724 42.3931 178.8370 57 L 3.9442 8.3049 118.5289 57.1157 41.5898 179.0619 58 A 5.0204 8.5095 122.4274 54.2726 18.1000 179.5318 59 K 4.0301 7.6932 116.0455 58.8937 32.0812 178.1538 60 V 4.3049 7.7048 109.5986 61.6076 34.1988 175.9121 61 N 4.6678 8.4572 115.2354 52.7536 39.0178 175.0434 62 G 4.3875 8.0626 105.3370 44.1119 0.0000 172.7209 63 E 4.4897 8.6329 117.7805 56.1674 30.4085 176.5733 64 W 5.6565 8.5132 119.6642 54.1435 31.1475 174.5704 65 T 4.6210 8.2363 109.5715 60.2317 72.2298 172.0028 66 A 5.7633 8.3048 122.0640 50.3608 23.2831 175.2740 67 D 4.8031 8.5430 117.7290 52.6954 44.0279 175.7726 68 L 5.0839 8.7581 123.5251 53.3395 43.6475 175.5107 69 E 4.6804 8.8212 116.7269 56.2117 32.6676 174.9512 70 D 4.4716 9.0389 116.5460 55.7176 38.1140 175.7788 71 G 3.7928 8.9229 104.4125 45.9995 0.0000 174.7825 72 G 4.2986 8.3612 107.3174 45.6688 0.0000 174.0471 73 N 4.8115 8.4032 115.9518 52.9719 38.6033 173.9600 74 C 4.9668 7.6834 119.2961 58.6571 35.1609 172.3965 75 M 5.0473 9.1968 125.5539 53.7083 35.6941 174.5627 76 N 5.0140 8.7924 120.1445 51.6549 40.5430 172.6299 77 I 4.5167 8.5103 125.0134 59.7884 39.0267 174.8526 78 K 4.9499 8.6136 126.9186 54.5719 34.9220 175.2217 79 F 5.0481 9.0225 123.6034 55.5580 40.2915 176.5485 80 A 3.8539 9.1890 127.3963 53.5501 18.8134 178.3228 81 G 3.7186 8.3527 102.8861 45.2419 0.0000 173.5615 82 K 4.1858 8.5231 118.6357 56.8649 33.0220 175.7045 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 K 8.41 3.99 0.00 1.79 1.80 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 13 T 8.63 3.23 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 1.21 0.00 0.00 14 P 0.00 4.04 0.00 2.07 2.02 0.00 3.59 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 2.02 2.13 0.00 15 E 8.69 4.75 0.00 2.03 1.98 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 2.16 2.23 0.00 16 E 7.80 4.54 0.00 1.90 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 2.20 2.32 0.00 17 P 0.00 4.78 0.00 2.12 1.97 0.00 3.77 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 1.87 1.94 0.00 18 K 8.90 4.04 0.00 1.82 2.14 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.52 7.81 19 E 8.42 3.37 0.00 2.09 1.93 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 2.39 2.36 0.00 20 E 8.40 4.72 0.00 1.94 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 2.35 2.24 0.00 21 V 9.38 4.28 2.20 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 0.78 0.00 0.00 1.04 0.00 0.00 22 T 8.22 4.83 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 1.21 0.00 0.00 23 I 8.78 4.25 1.91 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.99 0.86 0.00 0.00 24 K 8.46 4.80 0.00 1.70 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 25 V 8.97 4.96 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.09 0.00 0.00 26 N 9.22 5.22 0.00 2.67 2.73 0.00 0.00 6.77 6.31 0.00 0.00 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 L 9.38 5.00 0.00 1.81 1.55 1.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.90 4.66 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.97 0.00 0.00 29 F 9.10 5.13 0.00 3.05 2.98 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 30 A 8.40 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.48 0.00 2.79 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 32 G 8.36 4.09 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 0.00 0.00 0.00 33 K 8.65 4.35 0.00 1.66 1.72 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.64 7.81 34 I 8.40 5.33 1.94 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 1.42 0.94 1.04 0.00 0.00 35 Q 9.48 4.92 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 36 T 8.51 5.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 37 A 8.92 4.65 0.97 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 38 E 8.01 5.05 0.00 1.61 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 0.00 2.15 2.22 0.00 39 F 8.78 4.69 0.00 2.89 2.85 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 40 K 10.06 4.89 0.00 1.61 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.32 7.81 41 G 7.73 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 0.00 0.00 0.00 42 T 9.54 4.75 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 1.29 0.00 0.00 43 F 8.84 3.79 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 44 E 8.24 4.02 0.00 2.07 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 0.00 2.47 2.48 0.00 45 E 8.16 3.87 0.00 2.17 1.98 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 2.40 2.38 0.00 46 A 8.07 3.96 1.19 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 0.00 0.00 47 T 7.35 3.48 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 0.76 0.00 0.00 48 A 7.65 3.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 3.80 0.00 1.94 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 0.00 2.52 2.53 0.00 50 A 6.99 2.82 0.75 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 0.00 0.00 51 Y 7.88 3.65 0.00 3.04 3.11 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 52 R 8.02 4.01 0.00 2.07 2.07 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.06 0.00 53 Y 8.62 4.15 0.00 3.26 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 54 A 8.22 3.87 -0.03 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 0.00 0.00 55 D 8.49 4.60 0.00 2.96 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 56 L 8.38 3.97 0.00 1.79 1.68 1.00 -0.04 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 57 L 8.30 3.94 0.00 1.51 1.01 0.49 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.51 5.02 1.74 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 59 K 7.69 4.03 0.00 1.90 1.92 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.70 7.81 60 V 7.70 4.30 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 0.73 0.00 0.00 0.93 0.00 0.00 61 N 8.46 4.67 0.00 2.69 3.01 0.00 0.00 7.12 7.11 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 62 G 8.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.49 0.00 1.90 1.75 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 2.35 2.32 0.00 64 W 8.51 5.66 0.00 2.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.62 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 66 A 8.30 5.76 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.80 0.00 2.60 2.57 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 68 L 8.76 5.08 0.00 1.59 1.66 1.03 1.08 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 69 E 8.82 4.68 0.00 2.01 2.03 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 2.17 2.24 0.00 70 D 9.04 4.47 0.00 2.94 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 71 G 8.92 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 72 G 8.36 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 0.00 0.00 0.00 0.00 73 N 8.40 4.81 0.00 2.99 2.91 0.00 0.00 6.41 7.61 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 74 C 7.68 4.97 0.00 2.99 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 75 M 9.20 5.05 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 76 N 8.79 5.01 0.00 2.69 2.73 0.00 0.00 6.80 6.69 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 77 I 8.51 4.52 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.12 0.00 0.00 78 K 8.61 4.95 0.00 1.64 1.67 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 79 F 9.02 5.05 0.00 2.91 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 80 A 9.19 3.85 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 81 G 8.35 3.72 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 0.00 0.00 0.00 82 K 8.52 4.19 0.00 1.93 1.86 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81