NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3414 8.1744 110.9433 61.3458 70.3875 173.4158 6 N 4.7544 8.0099 119.0968 51.8849 39.2038 173.3238 7 S 4.5188 8.1293 110.8615 56.8106 65.4407 172.3103 8 D 4.7524 8.4973 120.7195 54.5307 42.3086 174.3925 9 F 5.3887 7.8741 115.8382 55.2471 41.5163 173.9637 10 V 4.5908 8.8715 112.0708 59.5527 35.7219 174.7984 11 V 4.8472 8.5424 123.0844 61.3545 34.0306 174.5688 12 I 5.0162 9.0450 127.9528 59.4096 41.2204 173.9488 13 K 5.0697 9.0790 128.4764 54.2416 34.6737 175.0579 14 A 4.4707 8.8443 130.0618 52.1317 19.3295 177.4017 15 L 4.7756 8.7858 120.9088 54.3906 42.9504 175.6457 16 E 4.7374 7.7250 115.7066 55.0375 32.4618 174.5201 17 D 4.3023 8.6223 120.2321 55.0265 41.6132 176.7514 18 G 3.8142 8.5683 109.9035 46.4348 0.0000 174.0824 19 V 3.9840 7.5979 119.2139 62.6498 33.0076 174.4643 20 N 5.3320 9.2176 123.7153 51.4123 42.2073 173.3707 21 V 4.5416 8.6393 124.0137 61.3135 33.7818 174.1667 22 I 4.5621 8.6846 130.0817 59.3029 39.6937 175.1055 23 G 4.0350 8.6508 115.2271 45.4215 0.0000 172.3988 24 L 5.4633 8.8011 125.8883 53.1122 43.8656 176.3467 25 T 4.4727 8.7541 114.3981 62.1929 69.0430 174.1404 26 R 4.3633 7.9563 125.8155 56.8994 31.4765 174.7611 27 G 3.7286 8.8073 108.3765 44.0996 0.0000 174.0407 28 A 3.8503 8.6304 120.9605 54.3985 18.6329 177.6440 29 D 4.7434 7.2395 112.7231 53.3232 42.3996 176.1593 30 T 4.6995 8.3188 122.0810 61.7021 70.2086 172.8202 31 R 4.7667 8.8584 122.5666 53.8190 33.8518 174.3385 32 F 5.2279 8.6957 118.1072 57.8995 39.0240 175.4694 33 H 4.9844 8.9087 117.8538 56.5635 30.7306 174.0815 34 H 4.8759 7.6792 117.1836 54.6387 33.5477 172.1440 35 S 4.7071 8.2006 118.9161 56.3845 64.5273 172.6622 36 E 4.3279 9.0734 130.3860 55.1359 30.6155 175.1202 37 K 4.8010 8.5895 127.1894 55.7272 33.5208 176.2070 38 L 4.9183 8.8649 125.2513 53.0698 44.6943 176.2766 39 D 5.0016 8.8850 123.6157 52.5950 43.0980 175.9315 40 K 3.9876 8.7832 121.8936 58.4076 32.4164 176.2319 41 G 4.1184 9.0964 115.0388 45.3608 0.0000 173.8517 42 E 4.1564 7.9366 119.0512 56.5658 30.6457 176.3717 43 V 4.9671 8.3241 122.3332 60.9955 34.3945 174.2632 44 L 4.8112 9.0912 129.2343 53.2365 45.2950 175.0091 45 I 5.0698 8.4195 125.4372 59.5401 39.8532 174.6729 46 A 4.6505 9.0618 129.1449 50.1814 22.0738 175.4098 47 Q 4.7701 8.6582 121.2119 55.0144 30.4244 175.7333 48 F 4.8182 8.4173 120.3692 57.9508 39.8193 175.2433 49 T 4.7053 8.7682 111.6662 60.0688 71.9755 173.0944 50 E 4.0133 8.9505 121.3295 59.6001 29.6436 177.4732 51 H 4.4493 8.1588 114.4256 56.9104 29.6817 174.2785 52 T 5.5889 8.4269 116.2324 61.0149 70.8795 174.5389 53 S 4.8721 9.0501 120.1931 58.0658 65.0323 173.3703 54 A 5.0958 7.9643 121.6637 50.8063 22.7499 174.9392 55 I 4.9996 8.6303 120.1740 59.3214 40.7465 174.8201 56 K 4.6035 8.9985 127.6230 54.4840 35.0849 174.5903 57 V 4.7846 8.4560 126.6767 61.2157 33.5146 174.5419 58 R 4.5463 9.1112 127.3846 55.5104 32.8526 176.0488 59 G 3.9687 9.0005 108.8377 43.9883 0.0000 172.4152 60 K 4.5679 9.2726 120.4773 55.9917 32.9632 175.5781 61 A 5.1699 8.7712 128.0120 50.7787 23.3641 173.6834 62 Y 4.9738 9.1571 122.2073 56.1494 40.9589 174.4914 63 I 4.8417 8.2842 127.3662 59.4608 40.7536 174.3646 64 Q 4.9984 8.7073 125.6082 54.3042 32.0426 174.8867 65 T 4.8904 8.5560 112.5789 59.5836 72.5445 174.5059 66 R 3.7735 8.5809 120.7344 59.1001 29.8091 176.3132 67 H 4.7740 9.5110 112.5872 55.4401 29.9317 175.1352 68 G 3.7490 6.4553 106.3310 44.3634 0.0000 172.6063 69 V 4.8128 7.4355 112.9875 59.9651 34.8594 175.0363 70 I 4.2960 7.8032 119.5279 60.4804 41.9210 172.5496 71 E 5.3444 8.8081 126.4271 54.5238 32.1453 175.9559 72 S 4.6053 8.8559 118.9418 57.9535 65.0250 172.8769 73 E 4.7289 8.0980 120.4161 55.4108 32.7334 176.2826 74 G 4.1782 7.8677 110.8996 45.0236 0.0000 174.8601 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 5 T 8.17 4.34 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 1.22 0.00 0.00 6 N 8.01 4.75 0.00 2.79 2.84 0.00 0.00 7.16 6.75 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 7 S 8.13 4.52 0.00 4.13 3.93 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 8 D 8.50 4.75 0.00 2.80 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 9 F 7.87 5.39 0.00 3.02 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 10 V 8.87 4.59 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 0.57 0.00 0.00 0.86 0.00 0.00 11 V 8.54 4.85 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 1.02 0.00 0.00 1.14 0.00 0.00 12 I 9.05 5.02 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.90 0.00 0.00 13 K 9.08 5.07 0.00 1.91 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.84 4.47 1.32 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 15 L 8.79 4.78 0.00 1.63 1.69 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.74 0.00 1.93 1.89 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 2.19 2.34 0.00 17 D 8.62 4.30 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.60 3.98 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 1.05 0.00 0.00 1.03 0.00 0.00 20 N 9.22 5.33 0.00 2.56 2.55 0.00 0.00 6.48 7.50 0.00 0.00 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 V 8.64 4.54 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 0.92 0.00 0.00 0.89 0.00 0.00 22 I 8.68 4.56 1.52 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 0.72 0.32 -0.36 0.00 0.00 23 G 8.65 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 0.00 0.00 0.00 24 L 8.80 5.46 0.00 1.88 1.70 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.47 4.31 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 1.38 0.00 0.00 26 R 7.96 4.36 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.81 3.73 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 0.00 0.00 0.00 28 A 8.63 3.85 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 29 D 7.24 4.74 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.70 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 1.27 0.00 0.00 31 R 8.86 4.77 0.00 1.83 2.00 0.00 2.79 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 32 F 8.70 5.23 0.00 2.88 2.91 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 33 H 8.91 4.98 0.00 3.17 3.49 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.68 4.88 0.00 3.29 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.71 0.00 3.67 3.59 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 36 E 9.07 4.33 0.00 2.16 1.80 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 2.27 2.32 0.00 37 K 8.59 4.80 0.00 1.64 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.68 7.81 38 L 8.86 4.92 0.00 1.54 1.53 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.88 5.00 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.99 0.00 1.83 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 G 9.10 4.12 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 0.00 0.00 0.00 42 E 7.94 4.16 0.00 2.06 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 2.33 2.35 0.00 43 V 8.32 4.97 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 0.80 0.00 0.00 1.01 0.00 0.00 44 L 9.09 4.81 0.00 1.72 1.43 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.42 5.07 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.60 0.00 0.00 46 A 9.06 4.65 1.11 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 0.00 0.00 47 Q 8.66 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.42 4.82 0.00 3.03 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 49 T 8.77 4.71 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 1.30 0.00 0.00 50 E 8.95 4.01 0.00 1.93 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 0.00 2.00 2.26 0.00 51 H 8.16 4.45 0.00 3.24 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.43 5.59 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 1.38 0.00 0.00 53 S 9.05 4.87 0.00 3.79 4.06 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 54 A 7.96 5.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 5.00 1.89 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.89 0.00 0.00 56 K 9.00 4.60 0.00 1.81 1.54 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.46 4.78 2.07 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.11 4.55 0.00 1.73 1.78 0.00 3.17 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 59 G 9.00 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 0.00 0.00 0.00 60 K 9.27 4.57 0.00 1.92 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.17 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 62 Y 9.16 4.97 0.00 3.05 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 63 I 8.28 4.84 1.84 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 1.16 0.55 0.82 0.00 0.00 64 Q 8.71 5.00 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 65 T 8.56 4.89 4.13 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 0.00 0.00 1.15 0.00 0.00 66 R 8.58 3.77 0.00 1.68 1.72 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 67 H 9.51 4.77 0.00 3.15 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.46 3.75 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 0.00 69 V 7.44 4.81 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 0.73 0.00 0.00 1.05 0.00 0.00 70 I 7.80 4.30 1.85 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 1.23 1.32 0.86 0.00 0.00 71 E 8.81 5.34 0.00 1.93 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 2.52 2.52 0.00 72 S 8.86 4.61 0.00 3.91 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 73 E 8.10 4.73 0.00 1.84 1.86 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 2.21 2.29 0.00 74 G 7.87 4.18 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 0.00