NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 3.9186 8.4293 120.2100 55.4096 30.7109 175.6025 4 P 4.2641 0.0000 0.0000 61.0375 32.4046 172.5234 5 E 4.1222 9.2731 119.2766 56.7307 30.6988 179.0809 6 V 4.2084 8.3184 116.1674 60.8153 32.4694 174.1414 7 P 5.2964 0.0000 0.0000 62.0766 32.6098 175.1625 8 F 5.0561 7.7246 115.0564 55.2863 41.9671 172.7858 9 K 4.8194 8.7498 121.0944 55.7293 33.7520 175.7066 10 V 5.0414 8.9435 119.5989 59.5344 36.3890 174.4522 11 V 4.6889 8.5596 121.3403 60.6634 34.5565 174.6459 12 A 4.4447 8.6395 130.4740 52.7082 18.6467 177.8398 13 Q 4.1705 9.3183 121.7038 56.7243 29.7178 175.9175 14 F 5.1064 7.9697 115.8209 54.8446 43.2809 172.6112 15 P 4.8190 0.0000 0.0000 63.2655 32.4571 174.9499 16 Y 4.7688 8.5850 122.8758 55.4068 41.3478 175.8378 17 K 4.6603 7.8375 128.1031 55.5129 33.5894 176.6179 18 S 3.9909 7.0585 112.2213 58.9660 62.6768 173.3921 19 D 4.6546 8.3924 124.1970 54.3975 41.6554 176.5765 20 Y 3.9438 8.2142 119.5620 57.5491 38.2783 175.4636 21 E 4.1265 8.5788 125.7272 57.8927 30.3620 176.6555 22 D 4.8866 9.0022 123.9311 54.2853 39.0106 173.8316 23 D 5.1222 7.7031 118.9681 53.9808 41.6614 175.8439 24 L 4.5502 9.1792 125.0059 54.7386 43.0267 175.5934 25 N 5.3013 8.5646 122.1786 51.8409 41.9967 173.2935 26 F 4.9580 8.1713 114.2852 56.5081 41.9490 172.9358 27 E 4.8761 8.6709 118.9074 54.6482 31.5734 175.9591 28 K 4.0020 8.6249 122.2382 58.5665 32.4960 176.9182 29 D 4.6411 8.9100 123.8586 54.1324 39.8757 174.4756 30 Q 3.8673 7.5660 121.7153 56.0511 29.9012 175.0223 31 E 4.5647 8.4850 126.4599 56.1829 30.5882 176.1953 32 I 4.5664 8.5775 124.4631 59.4753 41.7954 174.3887 33 I 4.5472 8.4026 127.0608 60.0416 38.8263 175.1298 34 V 4.2142 8.6557 129.1338 62.7074 31.4825 176.2792 35 T 4.5176 8.7138 118.9325 62.6470 70.3197 174.9815 36 S 4.6880 7.8593 115.2362 57.0073 66.5986 173.4393 37 V 4.5823 8.3741 122.0739 62.1468 31.4133 175.5401 38 E 4.2607 9.1392 129.2535 59.1155 29.2691 176.2480 39 D 4.4908 7.4094 115.1653 53.2160 41.7060 175.4776 40 A 4.1557 8.8744 120.6693 54.9546 18.7440 178.1136 41 E 4.4123 8.9001 113.6195 55.3836 32.6627 175.9385 42 W 5.0480 7.9204 120.0809 54.9000 32.6339 174.5014 43 Y 5.1434 8.2340 121.2764 56.5695 40.3216 174.1866 44 F 5.2034 8.8852 124.2299 56.9369 42.4583 174.9261 45 G 4.6486 8.1369 111.1385 46.7249 0.0000 171.3726 46 E 5.3468 8.6499 116.6652 56.0107 33.4227 173.4890 47 Y 4.9743 8.3672 117.1854 56.2715 41.9652 173.0043 48 Q 4.7585 8.7095 122.1586 55.0505 30.0284 175.3526 49 D 4.9559 8.9991 127.7565 52.2817 40.9828 176.9808 50 S 4.2627 8.6129 112.5354 60.3494 63.0314 174.3604 51 N 4.6228 8.6642 118.1115 53.0566 38.5675 175.7108 52 G 3.9126 8.5710 106.9724 45.3855 0.0000 172.7409 53 D 4.9087 7.8936 119.3945 52.0356 43.2788 175.7935 54 V 4.2590 8.4258 124.1209 62.7814 32.2264 175.0207 55 I 4.7254 8.5300 121.9652 59.1549 40.5629 174.2498 56 E 4.9042 8.5535 120.5504 54.6283 33.1318 174.9223 57 G 3.8435 6.9070 106.8885 45.8608 0.0000 171.1711 58 I 5.2112 7.6068 112.8799 60.0166 40.1447 174.8123 59 F 5.3004 8.6388 117.2111 55.2506 41.9957 171.4616 60 P 3.9204 0.0000 0.0000 62.0652 31.8693 177.8357 61 K 3.6553 8.2757 124.5035 59.4258 32.1250 179.5342 62 S 4.2593 7.8195 111.9147 60.8334 63.2287 174.8281 63 F 4.7715 8.4138 118.4056 58.2244 39.1272 174.9863 64 V 5.1772 7.9327 112.5603 59.4555 35.8368 174.6919 65 A 4.8426 8.7277 122.8222 49.8590 22.0397 176.0280 66 V 3.8617 8.6042 122.1385 63.9825 32.5513 176.0378 67 Q 3.9766 9.2143 125.6658 56.6043 29.1877 173.4363 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 8.43 3.92 0.00 1.98 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 2.52 2.42 0.00 4 P 0.00 4.26 0.00 2.14 1.91 0.00 2.27 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.67 0.00 5 E 9.27 4.12 0.00 2.02 2.00 0.00 0.00 0.00 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 2.36 0.00 6 V 8.32 4.21 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 0.75 0.00 0.00 1.01 0.00 0.00 7 P 0.00 5.30 0.00 2.05 2.02 0.00 3.37 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 8 F 7.72 5.06 0.00 3.06 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 9 K 8.75 4.82 0.00 1.88 1.74 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.44 7.81 10 V 8.94 5.04 2.19 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 0.85 0.00 0.00 1.01 0.00 0.00 11 V 8.56 4.69 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 0.88 0.00 0.00 0.92 0.00 0.00 12 A 8.64 4.44 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.32 4.17 0.00 1.48 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 14 F 7.97 5.11 0.00 2.68 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.82 0.00 2.17 2.16 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 16 Y 8.59 4.77 0.00 2.65 1.45 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 0.00 0.00 0.00 0.00 17 K 7.84 4.66 0.00 1.63 1.64 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.31 7.81 18 S 7.06 3.99 0.00 3.23 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.39 4.65 0.00 2.59 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 20 Y 8.21 3.94 0.00 3.13 2.86 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 21 E 8.58 4.13 0.00 1.92 1.88 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 2.31 2.35 0.00 22 D 9.00 4.89 0.00 2.96 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 23 D 7.70 5.12 0.00 2.87 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 24 L 9.18 4.55 0.00 1.86 1.98 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.56 5.30 0.00 2.63 2.67 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 26 F 8.17 4.96 0.00 2.92 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 27 E 8.67 4.88 0.00 1.96 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 2.43 2.29 0.00 28 K 8.62 4.00 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 29 D 8.91 4.64 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.57 3.87 0.00 2.08 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.02 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 31 E 8.49 4.56 0.00 1.79 1.78 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 2.23 2.25 0.00 32 I 8.58 4.57 1.56 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.22 0.78 0.00 0.00 33 I 8.40 4.55 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 0.86 0.00 0.00 34 V 8.66 4.21 0.67 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 0.25 0.00 0.00 0.28 0.00 0.00 35 T 8.71 4.52 4.32 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 1.25 0.00 0.00 36 S 7.86 4.69 0.00 3.90 3.96 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 37 V 8.37 4.58 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 0.99 0.00 0.00 1.22 0.00 0.00 38 E 9.14 4.26 0.00 2.30 2.04 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 2.50 2.55 0.00 39 D 7.41 4.49 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.16 1.29 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 0.00 0.00 41 E 8.90 4.41 0.00 1.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 42 W 7.92 5.05 0.00 3.36 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 43 Y 8.23 5.14 0.00 1.71 2.26 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 0.00 44 F 8.89 5.20 0.00 3.14 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 45 G 8.14 4.65 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 46 E 8.65 5.35 0.00 2.12 1.97 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 2.22 2.27 0.00 47 Y 8.37 4.97 0.00 3.04 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 48 Q 8.71 4.76 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 49 D 9.00 4.96 0.00 2.97 2.66 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 0.00 0.00 0.00 0.00 50 S 8.61 4.26 0.00 4.03 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 51 N 8.66 4.62 0.00 2.84 2.88 0.00 0.00 7.08 7.96 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 52 G 8.57 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 53 D 7.89 4.91 0.00 2.82 2.54 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 54 V 8.43 4.26 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 0.79 0.00 0.00 0.92 0.00 0.00 55 I 8.53 4.73 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.03 0.79 0.00 0.00 56 E 8.55 4.90 0.00 1.74 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 2.27 2.49 0.00 57 G 6.91 3.84 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 0.00 0.00 0.00 0.00 58 I 7.61 5.21 2.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 1.14 0.00 0.00 59 F 8.64 5.30 0.00 3.22 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.92 0.00 1.75 1.28 0.00 2.79 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.03 0.00 61 K 8.28 3.66 0.00 1.46 1.48 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.67 7.81 62 S 7.82 4.26 0.00 4.01 3.96 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 63 F 8.41 4.77 0.00 3.46 3.56 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 64 V 7.93 5.18 2.19 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 0.77 0.00 0.00 1.46 0.00 0.00 65 A 8.73 4.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 3.86 2.05 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 0.66 0.00 0.00 0.92 0.00 0.00 67 Q 9.21 3.98 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00