NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.9063 8.0244 121.4517 61.7590 37.8960 174.0185 10 D 3.9478 8.6595 124.4159 52.6711 39.2754 171.3823 11 P 4.9086 0.0000 0.0000 61.4546 31.9857 174.1520 12 R 4.4846 7.1751 116.6627 55.6460 32.4307 176.1579 13 I 4.2351 7.9789 116.6477 61.7320 36.6211 174.9646 14 H 4.7758 7.6192 119.4391 53.6805 29.2624 171.3540 15 Y 4.1542 8.2136 125.9958 56.8316 38.6128 169.7276 16 L 4.1602 7.5798 119.1344 55.6038 43.7127 177.6934 17 V 3.8666 7.5178 119.3892 60.3368 31.9996 173.8912 18 P 4.7881 0.0000 0.0000 61.8537 33.1575 175.8636 19 K 4.2913 8.4488 120.0187 56.5493 32.9025 176.0434 20 H 4.9560 8.9392 122.8163 55.0643 30.2528 174.7942 21 E 4.7865 8.6127 120.3832 54.5740 33.4837 175.6126 22 V 4.2595 8.5190 123.0952 62.6050 32.9526 174.7627 23 L 4.8780 7.6946 123.9748 52.5366 44.1028 177.0564 24 S 4.1987 8.7676 119.2509 58.7569 63.5490 175.3276 25 I 3.6688 8.6784 125.3707 64.9852 36.4685 178.0841 26 D 4.3364 8.0571 119.1534 57.4368 40.3981 178.3424 27 E 4.1031 8.1466 116.7809 58.6798 30.0235 178.4521 28 A 3.7109 8.3074 122.4732 54.8721 18.2196 178.9158 29 Y 3.9725 7.8624 118.2394 60.8649 39.0757 178.2841 30 K 3.9288 7.7255 120.0050 58.8079 32.0986 178.8513 31 I 3.7307 7.0369 120.2062 64.3943 37.2916 177.9608 32 L 4.0157 7.7177 118.6064 56.3338 41.0998 178.9264 33 K 3.9157 7.4338 120.0434 58.5653 32.2203 178.2863 34 E 3.9431 7.4003 117.2498 59.3422 29.5006 179.0411 35 L 4.1334 8.2519 118.1988 54.9489 42.8734 177.1198 36 G 3.9455 7.4765 106.9498 46.1572 0.0000 172.6789 37 I 4.7865 7.7002 109.3025 58.7507 41.6825 176.1615 38 R 4.1146 8.4863 120.8729 55.4453 30.5970 176.3920 39 P 4.3196 0.0000 0.0000 64.9252 31.5672 177.3804 40 E 4.0780 7.6476 117.1519 56.8754 29.5143 176.6578 41 Q 4.4046 7.7343 117.0732 56.1005 29.2666 176.0821 42 L 4.4655 7.5250 118.6616 53.2203 42.6692 175.9270 43 P 3.9955 0.0000 0.0000 63.9206 31.4287 178.0232 44 W 4.5017 8.2783 111.7507 57.1748 28.8644 173.5355 45 I 4.8194 7.9884 118.5400 59.6071 40.3045 175.6738 46 R 4.4556 8.4070 121.8017 55.6880 30.8917 177.7841 47 A 4.0468 8.4745 123.0227 55.4417 18.6242 179.4900 48 S 4.1419 8.1182 110.8157 61.3977 63.2224 174.8660 49 D 4.3267 7.6385 119.0000 54.2329 41.5687 175.1833 50 P 4.2433 0.0000 0.0000 66.2490 30.9060 178.5684 51 V 3.5395 7.6889 117.0812 65.6532 31.5248 177.6989 52 A 4.0197 7.8675 120.0645 55.2460 18.4075 179.5732 53 R 3.8802 8.3726 117.0161 59.4372 29.8634 179.3076 54 S 4.1590 7.4944 112.2739 61.1647 62.5928 175.4302 55 I 3.8928 8.2273 118.9371 60.6966 39.2439 174.9323 56 N 4.0241 7.2693 114.0397 54.7436 36.1101 173.1349 57 A 4.6656 7.8445 120.1394 50.4557 21.7935 176.9115 58 K 4.4969 8.0239 118.8323 54.0467 34.4619 175.8572 59 P 4.7006 0.0000 0.0000 61.2812 29.2954 175.0280 60 G 3.8573 6.9424 110.4748 46.1059 0.0000 172.9225 61 D 4.4871 8.2278 119.7970 54.1149 41.4732 175.3591 62 I 4.6851 8.1152 115.6189 59.3859 40.2837 174.7998 63 I 4.4840 8.7248 126.7387 60.9129 39.2375 174.8755 64 R 5.0727 9.3127 125.7340 54.5925 31.0289 172.3410 65 I 4.3780 8.2255 122.6477 60.3630 38.4983 174.6120 66 I 4.7765 8.1814 129.4071 59.7014 38.1636 175.5676 67 R 4.7318 8.4113 123.8446 53.7094 32.6204 175.6758 68 K 4.3424 8.5835 119.7451 56.7347 32.4451 176.2490 69 S 4.7659 9.1835 118.5386 56.4405 64.6839 175.2318 70 Q 4.2393 9.0519 125.3293 58.1080 28.9736 176.9910 71 L 4.5514 7.4826 116.6977 55.7679 43.4257 176.7986 72 Y 4.9501 8.3887 116.7130 56.7931 40.1600 176.8878 73 G 3.6884 8.7041 110.1223 45.2865 0.0000 174.0939 74 E 5.0235 8.6190 114.6119 54.1509 33.7678 176.2992 75 V 4.4163 8.6977 124.0146 61.1185 34.3088 174.2387 76 V 4.6088 8.2682 126.9252 61.4089 33.0490 174.3927 77 S 4.3852 8.3959 121.3267 56.7250 66.6566 171.2634 78 Y 5.3255 8.0766 117.8449 56.8626 42.2747 174.4599 79 R 4.8719 8.9835 117.8923 55.7896 34.7508 175.5634 80 Y 4.3305 9.1103 120.1735 56.8101 40.3777 172.4263 81 V 3.7256 8.1795 126.4128 62.4183 32.5146 171.1971 82 I 3.8975 8.8829 127.1766 61.4071 37.2854 175.3170 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 I 8.02 3.91 1.87 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 1.30 1.06 0.91 0.00 0.00 10 D 8.66 3.95 0.00 2.83 2.67 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 11 P 0.00 4.91 0.00 2.21 2.08 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 12 R 7.18 4.48 0.00 1.83 1.85 0.00 3.34 0.00 0.00 3.12 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 13 I 7.98 4.24 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.87 0.00 0.00 14 H 7.62 4.78 0.00 3.18 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.21 4.15 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 16 L 7.58 4.16 0.00 1.54 1.49 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.52 3.87 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 0.82 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.79 0.00 2.05 2.06 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 19 K 8.45 4.29 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.47 7.81 20 H 8.94 4.96 0.00 2.99 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.61 4.79 0.00 2.05 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 2.23 2.25 0.00 22 V 8.52 4.26 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 0.78 0.00 0.00 0.95 0.00 0.00 23 L 7.69 4.88 0.00 1.79 1.55 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.77 4.20 0.00 3.90 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 25 I 8.68 3.67 1.87 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 1.64 1.69 0.92 0.00 0.00 26 D 8.06 4.34 0.00 2.70 2.72 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 27 E 8.15 4.10 0.00 2.21 2.23 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 2.38 2.39 0.00 28 A 8.31 3.71 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 29 Y 7.86 3.97 0.00 3.13 3.18 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 30 K 7.73 3.93 0.00 1.91 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.51 7.81 31 I 7.04 3.73 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.46 0.00 0.00 32 L 7.72 4.02 0.00 1.59 1.77 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.43 3.92 0.00 1.25 1.47 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.23 7.81 34 E 7.40 3.94 0.00 2.32 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 2.31 2.47 0.00 35 L 8.25 4.13 0.00 1.55 1.72 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.48 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.70 4.79 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.90 0.00 0.00 38 R 8.49 4.11 0.00 1.91 2.21 0.00 3.09 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 39 P 0.00 4.32 0.00 1.79 2.29 0.00 3.56 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 1.72 1.94 0.00 40 E 7.65 4.08 0.00 2.01 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 2.10 1.85 0.00 41 Q 7.73 4.40 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 42 L 7.52 4.47 0.00 2.12 1.78 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.00 0.00 2.07 2.11 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 44 W 8.28 4.50 0.00 3.64 3.29 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 45 I 7.99 4.82 1.94 0.00 0.00 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 1.50 1.11 1.00 0.00 0.00 46 R 8.41 4.46 0.00 1.91 1.94 0.00 3.16 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 47 A 8.47 4.05 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 48 S 8.12 4.14 0.00 3.88 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 49 D 7.64 4.33 0.00 2.85 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 P 0.00 4.24 0.00 2.30 2.33 0.00 3.75 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 2.08 2.05 0.00 51 V 7.69 3.54 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 0.57 0.00 0.00 0.85 0.00 0.00 52 A 7.87 4.02 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 53 R 8.37 3.88 0.00 1.95 1.99 0.00 3.28 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 54 S 7.49 4.16 0.00 3.94 4.04 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 55 I 8.23 3.89 1.96 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 1.54 0.81 0.99 0.00 0.00 56 N 7.27 4.02 0.00 2.97 2.79 0.00 0.00 6.82 7.23 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 57 A 7.84 4.67 1.20 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 0.00 0.00 0.00 58 K 8.02 4.50 0.00 1.77 1.67 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.41 7.81 59 P 0.00 4.70 0.00 1.94 1.92 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 60 G 6.94 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 0.00 0.00 0.00 61 D 8.23 4.49 0.00 2.73 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 62 I 8.12 4.69 2.12 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 1.39 0.95 1.16 0.00 0.00 63 I 8.72 4.48 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.95 1.00 0.00 0.00 64 R 9.31 5.07 0.00 2.06 2.07 0.00 3.24 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 65 I 8.23 4.38 1.73 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 1.01 0.43 0.66 0.00 0.00 66 I 8.18 4.78 1.84 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 1.25 0.52 0.89 0.00 0.00 67 R 8.41 4.73 0.00 1.82 1.95 0.00 2.73 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 68 K 8.58 4.34 0.00 1.64 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 69 S 9.18 4.77 0.00 3.85 3.83 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 70 Q 9.05 4.24 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 71 L 7.48 4.55 0.00 1.84 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.39 4.95 0.00 2.74 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 73 G 8.70 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 0.00 0.00 0.00 74 E 8.62 5.02 0.00 1.70 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 2.14 2.20 0.00 75 V 8.70 4.42 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 0.96 0.00 0.00 1.10 0.00 0.00 76 V 8.27 4.61 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 0.54 0.00 0.00 0.88 0.00 0.00 77 S 8.40 4.39 0.00 3.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.08 5.33 0.00 2.90 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 79 R 8.98 4.87 0.00 1.84 2.00 0.00 3.66 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 80 Y 9.11 4.33 0.00 3.16 3.19 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 81 V 8.18 3.73 1.79 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 0.71 0.00 0.00 0.93 0.00 0.00 82 I 8.88 3.90 1.81 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 1.04 0.81 0.74 0.00 0.00