NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3245 8.1744 110.9435 61.3180 70.7599 173.5849 6 N 4.6896 7.9873 120.2305 53.1723 39.1492 173.3376 7 S 4.4650 8.1075 112.1159 57.4657 64.8285 173.0268 8 D 4.8203 8.5618 121.6010 54.5355 42.3523 174.5011 9 F 5.4384 8.0879 116.4790 55.0377 41.7369 173.7932 10 V 4.3614 8.7847 118.5638 61.0386 34.7081 174.0774 11 V 4.8509 8.6411 127.2252 61.4868 33.7447 174.4945 12 I 4.9718 8.8756 128.0443 59.4081 41.0825 173.9960 13 K 5.0846 9.0331 128.4784 54.1755 34.7108 175.0225 14 A 4.3812 8.7655 130.4040 52.2741 19.1898 177.3895 15 L 4.6757 8.9511 121.9691 54.4677 42.5326 175.9556 16 E 4.6693 7.6937 115.5445 54.9416 32.1583 174.5000 17 D 4.3928 8.3863 119.4470 55.6731 41.3232 177.0395 18 G 3.8805 8.0528 106.2193 45.7985 0.0000 174.1163 19 V 3.8484 7.4833 119.9003 63.1321 32.8362 174.4812 20 N 5.2871 9.1240 124.9675 51.4934 41.3060 173.7001 21 V 4.5372 8.8039 124.7225 61.4263 33.5003 174.1654 22 I 4.5157 8.8845 130.1356 59.3448 39.5467 175.0975 23 G 4.0969 8.8441 115.3281 45.1474 0.0000 172.4998 24 L 5.4731 8.9130 126.5759 53.1724 44.0494 176.3526 25 T 4.4397 8.6529 114.0693 61.6859 69.2516 174.4001 26 R 4.3887 7.8659 125.8252 57.0381 29.7738 174.7373 27 G 3.6760 8.9905 108.3316 43.9496 0.0000 174.0414 28 A 4.2120 8.6336 120.7589 54.5285 18.4377 177.5615 29 D 4.7463 7.2838 112.5879 53.1745 42.5062 175.9255 30 T 4.7333 8.3246 121.7869 61.9514 70.7559 173.0779 31 R 4.7383 8.8577 122.3482 54.1998 33.8197 174.3144 32 F 5.1902 8.7384 118.9951 58.1757 38.8492 175.1516 33 H 4.9562 9.1153 118.8875 56.6231 30.5270 174.3192 34 H 4.7290 7.6134 117.0204 54.9153 33.3158 172.1075 35 S 4.7697 8.1267 119.1922 56.4071 64.6198 172.4223 36 E 4.4486 9.1117 129.7242 54.7851 30.9249 174.8073 37 K 4.8327 8.5949 126.9878 55.7115 33.4668 176.1499 38 L 4.9649 8.9638 125.1519 53.1030 44.7798 175.9082 39 D 5.0385 9.1602 123.2622 52.3307 43.3854 176.0346 40 K 3.9658 8.8482 122.2732 58.4395 32.3974 177.2263 41 G 4.0373 9.0666 115.4157 45.2470 0.0000 173.6000 42 E 4.2509 7.9673 119.6408 56.2710 30.7932 176.0106 43 V 4.8908 8.3033 122.1233 61.0043 34.2276 174.2207 44 L 4.7520 9.2150 129.5798 53.2381 44.8895 174.8847 45 I 4.9247 8.4632 126.1832 59.6074 39.3457 174.6640 46 A 4.6829 9.0950 129.6455 50.0023 21.6894 175.4265 47 Q 4.6860 8.6678 121.4160 55.3334 30.1078 176.0005 48 F 4.6742 8.4318 121.0152 57.9337 39.7446 175.0360 49 T 4.7430 8.8162 112.0734 59.7233 72.1187 173.1341 50 E 4.0214 9.0316 121.3925 59.7521 29.5688 177.5903 51 H 4.3882 8.1814 114.2945 57.0476 29.5810 174.3664 52 T 5.5203 8.3183 116.3761 61.0038 70.9625 174.5719 53 S 4.9227 9.0626 120.1491 58.1286 65.1222 173.3860 54 A 5.1512 7.9553 121.7162 50.8748 22.7109 174.9705 55 I 4.9923 8.5821 120.6224 59.3568 40.6638 174.6992 56 K 4.5865 9.0821 128.4291 54.5429 34.6534 174.6635 57 V 4.7679 8.4217 126.8496 61.2860 33.3200 174.5933 58 R 4.5614 9.0892 127.1242 55.7075 32.9182 176.6665 59 G 4.1234 9.0099 108.5367 44.3542 0.0000 172.1071 60 K 4.7960 9.2273 119.7966 54.9160 33.2012 175.5039 61 A 5.1168 8.5385 126.7825 50.8994 23.4315 173.6261 62 Y 5.0401 9.0765 121.0640 55.8855 41.4988 174.6076 63 I 4.8601 8.3229 126.9959 59.4551 40.9196 174.3282 64 Q 5.0078 8.8019 125.4447 54.3265 32.0709 174.9063 65 T 4.8355 8.5278 112.9302 59.6420 72.4205 174.3922 66 R 3.7149 8.5720 120.4452 59.5110 29.8016 176.5659 67 H 4.7397 8.4126 112.3208 55.0782 29.6002 174.3790 68 G 3.7456 6.7735 106.5288 44.1966 0.0000 173.2158 69 V 4.8136 7.8143 113.1095 59.9969 35.0316 175.0059 70 I 4.4324 8.0510 120.2611 60.2918 41.8715 172.7347 71 E 5.3353 8.6993 126.4694 54.4752 31.9772 176.1063 72 S 4.5464 8.6645 118.7446 58.1587 64.9555 172.8347 73 E 4.8405 8.7208 120.2377 54.5468 32.5709 176.3065 74 G 3.7298 8.6876 111.4730 45.6848 0.0000 173.3071 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 4.32 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 7.99 4.69 0.00 2.80 2.86 0.00 0.00 7.05 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 8.11 4.47 0.00 4.11 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 8.56 4.82 0.00 2.80 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 9 F 8.09 5.44 0.00 3.05 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 8.78 4.36 1.92 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 0.91 0.00 0.00 0.84 0.00 0.00 11 V 8.64 4.85 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 1.09 0.00 0.00 1.17 0.00 0.00 12 I 8.88 4.97 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.90 0.00 0.00 13 K 9.03 5.08 0.00 1.89 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.77 4.38 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.95 4.68 0.00 1.58 1.71 0.98 0.87 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 16 E 7.69 4.67 0.00 2.03 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 2.33 0.00 17 D 8.39 4.39 0.00 2.69 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 8.05 3.88 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 0.00 0.00 0.00 19 V 7.48 3.85 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 1.05 0.00 0.00 1.01 0.00 0.00 20 N 9.12 5.29 0.00 2.59 2.58 0.00 0.00 6.28 8.54 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 21 V 8.80 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 0.82 0.00 0.00 0.89 0.00 0.00 22 I 8.88 4.52 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.38 -0.51 0.00 0.00 23 G 8.84 4.10 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 0.00 0.00 0.00 24 L 8.91 5.47 0.00 1.90 1.71 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.65 4.44 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 1.34 0.00 0.00 26 R 7.87 4.39 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.07 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.99 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.21 1.30 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 29 D 7.28 4.75 0.00 2.61 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 4.73 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 1.26 0.00 0.00 31 R 8.86 4.74 0.00 1.86 1.97 0.00 2.80 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 32 F 8.74 5.19 0.00 2.89 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 33 H 9.12 4.96 0.00 3.14 3.49 0.00 5.79 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 7.61 4.73 0.00 3.27 3.05 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 8.13 4.77 0.00 3.61 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.45 0.00 2.13 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 2.24 2.31 0.00 37 K 8.59 4.83 0.00 1.64 1.71 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.60 7.81 38 L 8.96 4.96 0.00 1.52 1.53 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.16 5.04 0.00 2.58 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 40 K 8.85 3.97 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.07 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 0.00 0.00 0.00 42 E 7.97 4.25 0.00 2.05 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 2.37 0.00 43 V 8.30 4.89 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.21 4.75 0.00 1.70 1.45 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.92 1.74 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 1.25 0.78 0.66 0.00 0.00 46 A 9.09 4.68 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 8.67 4.69 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.43 4.67 0.00 3.03 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 49 T 8.82 4.74 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 1.25 0.00 0.00 50 E 9.03 4.02 0.00 1.94 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 0.00 2.15 2.31 0.00 51 H 8.18 4.39 0.00 3.24 3.16 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 8.32 5.52 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 53 S 9.06 4.92 0.00 3.83 4.08 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 0.00 0.00 0.00 0.00 54 A 7.96 5.15 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 55 I 8.58 4.99 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.85 0.00 0.00 56 K 9.08 4.59 0.00 1.83 1.58 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 57 V 8.42 4.77 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.09 4.56 0.00 1.78 1.79 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 59 G 9.01 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 60 K 9.23 4.80 0.00 1.86 1.71 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.25 7.81 61 A 8.54 5.12 1.23 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 0.00 0.00 0.00 0.00 0.00 62 Y 9.08 5.04 0.00 3.05 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 63 I 8.32 4.86 1.83 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 0.84 0.82 0.00 0.00 64 Q 8.80 5.01 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 65 T 8.53 4.84 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 1.14 0.00 0.00 66 R 8.57 3.71 0.00 1.69 1.68 0.00 3.13 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 67 H 8.41 4.74 0.00 3.19 3.28 0.00 5.69 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 6.77 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 7.81 4.81 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 0.73 0.00 0.00 1.01 0.00 0.00 70 I 8.05 4.43 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 1.22 1.27 0.85 0.00 0.00 71 E 8.70 5.34 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 2.53 2.49 0.00 72 S 8.66 4.55 0.00 4.02 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 73 E 8.72 4.84 0.00 1.84 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 2.21 2.29 0.00 74 G 8.69 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