NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.9160 8.0544 120.3927 62.7295 32.6836 178.2735 10 N 4.4258 8.7804 122.8459 51.8102 38.0659 170.0609 11 V 3.7811 9.2511 121.1454 63.3647 32.6427 176.4736 12 Q 4.5107 8.2851 117.5399 55.8483 30.1172 176.1773 13 R 4.6584 7.8508 117.9574 52.8436 30.1895 174.1889 14 P 4.2224 0.0000 0.0000 65.8271 31.5159 178.2754 15 L 4.1074 7.9134 117.2983 56.6917 41.6537 178.5253 16 D 4.4753 8.3866 119.7420 57.2252 40.4347 178.4587 17 A 4.0031 7.7396 120.7556 55.0374 18.5412 179.3383 18 L 3.9190 7.6982 117.6977 57.7386 41.2707 179.7997 19 G 3.9339 8.0468 105.1756 48.1182 0.0000 174.9788 20 N 4.5384 7.9611 116.7604 55.0082 38.8547 176.5207 21 S 4.7771 8.0518 115.8878 56.8696 63.1769 173.3556 22 L 4.1328 7.0498 122.7044 56.8408 41.4170 176.6882 23 N 4.4725 9.7781 122.6839 54.1529 36.1450 174.3025 24 S 4.9259 7.8149 111.6890 56.0859 68.4211 171.7041 25 P 5.1373 0.0000 0.0000 62.7897 32.6430 175.5980 26 V 4.9647 8.9455 115.7517 59.5992 36.6414 174.3708 27 I 4.7181 9.2016 123.0022 59.8584 40.0076 174.8506 28 I 4.6989 8.9178 129.1594 59.5463 39.3191 174.6183 29 K 4.5212 8.6485 129.2873 54.6436 33.9865 175.6772 30 L 4.9909 8.3483 127.6728 52.8724 44.3630 176.3862 31 K 4.1765 8.4964 120.0296 57.8161 32.3064 178.4137 32 G 3.8727 8.6148 109.8791 45.1134 0.0000 174.2351 33 D 4.7241 7.7968 117.6604 53.8964 39.7640 174.6965 34 R 4.1509 7.5470 118.1711 56.7433 31.7526 174.9897 35 E 5.1511 8.1813 119.9672 54.9474 33.3396 173.7650 36 F 5.3056 9.5284 124.6723 55.8429 43.2966 174.3634 37 R 5.0709 8.7276 119.3178 54.7563 34.6025 175.0590 38 G 4.2827 8.0802 108.4710 46.4938 0.0000 171.2738 39 V 4.7741 7.7772 119.9417 61.0197 33.4532 175.3550 40 L 4.4651 8.7379 130.8660 55.4752 42.2511 177.0809 41 K 4.7207 8.9230 126.4342 57.4296 34.1617 176.4088 42 S 4.8356 7.8793 112.4065 58.3337 65.4692 175.2939 43 F 6.0307 8.3808 114.3984 57.1399 40.7548 172.1044 44 D 4.9680 8.5448 118.3472 50.7678 42.2007 176.3836 45 L 4.2823 8.5131 118.3501 58.5714 40.2822 177.4146 46 H 4.6029 8.4480 115.5017 55.4104 28.9492 175.2683 47 M 3.3546 8.6707 118.9505 56.3365 30.0584 176.0886 48 N 5.0825 8.8762 116.9558 53.4388 40.0211 174.2793 49 L 5.1526 9.0714 121.8354 54.7426 44.9591 174.3316 50 V 4.9448 8.7367 119.1690 61.1143 34.3239 174.2142 51 L 5.3900 8.8653 126.5971 53.1479 45.5427 175.3415 52 N 5.0073 9.1800 120.2258 51.9109 41.1982 174.5519 53 D 4.5768 8.4879 118.6474 55.3701 39.0106 173.7166 54 A 4.9010 7.7771 119.8833 51.9092 20.8662 177.7128 55 E 5.0283 9.0565 116.3896 55.0594 33.7226 173.6984 56 E 4.1277 9.1329 124.7092 55.0302 30.8848 175.4433 57 L 4.8926 8.4252 127.5400 53.5223 44.0600 176.0466 58 E 4.3543 8.6846 120.5237 56.1222 32.1124 174.9652 59 D 4.4394 9.9625 126.9364 55.2405 38.6299 174.8688 60 G 3.8957 8.5810 106.4009 45.0980 0.0000 173.6215 61 E 4.4980 8.9593 121.0998 53.8644 31.0063 175.7649 62 V 3.9934 8.4621 124.3570 63.9611 31.8361 175.3202 63 T 4.6596 8.4968 115.7133 60.5712 70.1086 173.4839 64 R 4.3190 7.2715 118.2961 56.1521 33.4521 173.2444 65 R 4.9071 8.8809 125.1109 54.8229 31.6189 175.4022 66 L 4.2608 8.7944 123.6006 53.3233 42.3663 179.7977 67 G 3.6281 8.2087 108.6898 46.6255 0.0000 173.6003 68 T 4.7737 8.4973 120.7283 63.7120 69.0277 174.2709 69 V 4.5165 8.9895 125.0269 60.0408 35.5378 173.6011 70 L 4.9594 8.4762 124.4120 53.6927 43.5960 175.2256 71 I 4.2942 8.5054 128.3116 59.4095 39.5457 175.5804 72 R 5.0635 7.9406 126.1439 55.0478 30.6952 177.4855 73 G 3.9857 9.1772 112.1276 47.3471 0.0000 174.4058 74 D 4.3048 8.1944 118.1694 57.0963 41.2153 176.9790 75 N 4.6730 8.1725 114.5679 53.6223 39.2535 175.0843 76 I 4.0883 8.0494 120.6117 61.3359 37.8524 175.5350 77 V 4.3173 8.6555 125.0289 64.6346 32.8081 175.0331 78 Y 4.9497 7.1345 115.6229 56.3326 41.2257 173.3038 79 I 5.1935 8.4815 119.9170 59.9660 40.7187 174.9461 80 S 4.9176 9.4195 122.1435 56.3635 67.3504 173.7134 81 R 4.4064 8.6425 119.7972 56.1634 30.9911 177.3374 82 G 3.8210 8.3721 107.5894 46.4852 0.0000 172.9123 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 9 V 8.05 3.92 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 1.00 0.00 0.00 0.93 0.00 0.00 10 N 8.78 4.43 0.00 2.85 2.71 0.00 0.00 6.91 6.83 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 11 V 9.25 3.78 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.29 4.51 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.18 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 13 R 7.85 4.66 0.00 1.84 1.97 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 14 P 0.00 4.22 0.00 2.25 2.32 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 15 L 7.91 4.11 0.00 1.82 1.92 0.92 1.36 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 16 D 8.39 4.48 0.00 2.92 2.75 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 17 A 7.74 4.00 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 18 L 7.70 3.92 0.00 1.13 0.13 0.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.05 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 0.00 0.00 0.00 20 N 7.96 4.54 0.00 2.93 2.90 0.00 0.00 6.98 7.36 0.00 0.00 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 S 8.05 4.78 0.00 3.92 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 22 L 7.05 4.13 0.00 1.79 1.72 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.78 4.47 0.00 2.86 3.06 0.00 0.00 6.83 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.81 4.93 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 5.14 0.00 2.13 2.19 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 26 V 8.95 4.96 2.16 0.00 0.00 0.00 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 0.94 0.00 0.00 27 I 9.20 4.72 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.95 0.00 0.00 28 I 8.92 4.70 1.96 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 1.15 0.99 0.86 0.00 0.00 29 K 8.65 4.52 0.00 0.79 0.74 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.71 1.07 7.81 30 L 8.35 4.99 0.00 1.71 1.61 1.14 0.55 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 31 K 8.50 4.18 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 32 G 8.61 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 33 D 7.80 4.72 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.55 4.15 0.00 1.81 1.81 0.00 3.18 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 35 E 8.18 5.15 0.00 1.91 1.61 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 2.20 2.30 0.00 36 F 9.53 5.31 0.00 2.97 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 37 R 8.73 5.07 0.00 1.74 1.77 0.00 3.18 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 8.08 4.28 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 0.00 39 V 7.78 4.77 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 1.03 0.00 0.00 0.95 0.00 0.00 40 L 8.74 4.47 0.00 1.85 1.73 1.02 0.20 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 41 K 8.92 4.72 0.00 1.64 1.84 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.52 7.81 42 S 7.88 4.84 0.00 3.77 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 43 F 8.38 6.03 0.00 3.14 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 44 D 8.54 4.97 0.00 2.90 2.80 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 45 L 8.51 4.28 0.00 1.75 1.84 0.82 0.66 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 46 H 8.45 4.60 0.00 3.42 3.38 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.67 3.35 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 48 N 8.88 5.08 0.00 2.97 2.74 0.00 0.00 6.55 6.58 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 49 L 9.07 5.15 0.00 1.88 1.83 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.74 4.94 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 0.98 0.00 0.00 0.93 0.00 0.00 51 L 8.87 5.39 0.00 1.59 1.51 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.18 5.01 0.00 2.64 2.73 0.00 0.00 7.02 8.93 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 53 D 8.49 4.58 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 5.03 0.00 2.03 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 2.38 2.26 0.00 56 E 9.13 4.13 0.00 1.67 1.65 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 1.88 1.47 0.00 57 L 8.43 4.89 0.00 1.38 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.68 4.35 0.00 1.93 1.70 0.00 0.00 0.00 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 2.27 0.00 59 D 9.96 4.44 0.00 2.76 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 60 G 8.58 3.90 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 0.00 0.00 0.00 61 E 8.96 4.50 0.00 1.94 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 2.20 2.18 0.00 62 V 8.46 3.99 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 0.85 0.00 0.00 0.97 0.00 0.00 63 T 8.50 4.66 4.20 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 0.00 0.00 0.00 1.23 0.00 0.00 64 R 7.27 4.32 0.00 1.86 1.69 0.00 3.17 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 65 R 8.88 4.91 0.00 1.70 1.85 0.00 3.25 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 66 L 8.79 4.26 0.00 1.65 1.76 1.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.21 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.77 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 69 V 8.99 4.52 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 0.60 0.00 0.00 0.87 0.00 0.00 70 L 8.48 4.96 0.00 1.63 1.56 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.51 4.29 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.39 0.70 0.00 0.00 72 R 7.94 5.06 0.00 1.84 1.84 0.00 3.40 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 73 G 9.18 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 0.00 0.00 0.00 74 D 8.19 4.30 0.00 2.62 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 75 N 8.17 4.67 0.00 2.78 2.82 0.00 0.00 6.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.05 4.09 1.96 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 1.13 0.52 0.91 0.00 0.00 77 V 8.66 4.32 2.12 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 0.95 0.00 0.00 0.95 0.00 0.00 78 Y 7.13 4.95 0.00 2.99 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 79 I 8.48 5.19 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.89 0.00 0.00 80 S 9.42 4.92 0.00 3.81 3.77 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 0.00 0.00 0.00 81 R 8.64 4.41 0.00 1.70 1.87 0.00 3.14 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 G 8.37 3.82 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 0.00 0.00 0.00