NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4180 0.0000 0.0000 61.8512 32.9791 176.6572 3 Y 4.1567 8.4589 117.6214 56.3706 38.5166 176.0717 4 S 4.2080 8.6530 117.0654 61.1506 64.0733 174.9650 5 S 4.5586 8.0483 113.0485 58.1970 63.2933 173.6973 6 D 4.7216 7.7561 121.5375 53.6566 41.5789 176.4506 7 T 4.1951 8.1373 111.5881 62.1108 69.5820 173.6159 8 T 4.6732 7.9416 115.7993 59.5449 70.5239 171.6467 9 P 4.5434 0.0000 0.0000 62.9086 32.1537 176.2681 10 C 5.0283 8.5728 117.9134 55.2489 43.9839 173.7612 11 C 4.9251 8.1022 118.3728 55.3805 41.9433 174.0953 12 F 4.6296 8.3588 119.4442 56.8829 40.4416 174.8583 13 A 4.3524 7.4194 121.5981 51.1980 21.7726 175.1409 14 Y 5.0010 8.0098 119.2469 55.9440 39.9417 175.7349 15 I 3.8775 8.7341 124.7290 61.1250 38.7091 175.8103 16 A 4.1738 8.9695 133.8288 55.8408 18.6631 178.2954 17 R 4.0760 7.6494 112.9752 54.3738 30.3019 176.5571 18 P 2.9700 0.0000 0.0000 60.8691 31.5536 176.4196 19 L 4.1653 7.7252 123.1260 54.0651 41.6770 174.8078 20 P 4.0983 0.0000 0.0000 62.8685 31.6590 177.4054 21 R 3.4581 8.6560 123.9554 59.1420 29.9966 177.9911 22 A 4.1175 7.6900 118.7313 54.3781 18.7814 177.4692 23 H 4.6248 8.4464 112.8093 56.3833 29.2793 174.7459 24 I 4.8762 7.4041 121.8037 59.7542 38.1099 175.4183 25 K 4.5599 8.5794 124.0972 57.7836 34.5926 175.4560 26 E 5.0063 8.0823 118.6782 56.3942 34.1077 173.3362 27 Y 5.8303 9.0738 118.0533 57.1314 41.2144 173.8357 28 F 4.7939 7.9494 114.1016 56.2333 41.6475 172.0321 29 Y 5.1638 8.6429 117.3130 56.6549 39.2030 176.1409 30 T 4.4122 8.4066 113.9741 61.2065 70.1390 174.4655 31 S 4.2122 8.9052 117.4326 58.6191 62.8335 175.5405 32 G 3.8113 8.5744 114.5110 47.5039 0.0000 174.9007 33 K 4.1263 8.0220 119.3702 59.1805 32.3037 177.3119 34 C 4.5628 7.8272 115.8872 56.5019 40.6067 174.1440 35 S 4.0924 8.5996 117.0093 60.3406 63.0401 174.2293 36 N 5.0563 7.6304 117.2484 50.2936 41.0010 172.3925 37 P 4.5028 0.0000 0.0000 62.9059 32.7809 175.2081 38 A 4.6030 8.0189 118.5218 51.4388 22.5644 174.9619 39 V 4.1915 7.9686 120.3646 60.9213 34.0247 174.6558 40 V 4.3560 8.0241 127.9669 60.9909 33.7032 174.0533 41 F 5.2126 9.0006 127.6940 56.3508 40.7515 175.0283 42 V 4.6627 8.9757 125.6155 62.2267 32.8113 175.9450 43 T 5.0869 8.6956 119.0234 60.6371 70.9140 175.7330 44 R 4.1877 8.7001 119.4719 57.7632 30.0668 177.4665 45 E 4.4059 8.0260 116.2465 55.6615 29.9680 175.7169 46 N 4.4577 8.1849 115.1148 54.1577 36.7138 174.5401 47 R 4.3039 7.9023 117.2843 56.2254 31.8146 176.0236 48 Q 5.0264 8.6836 121.1367 54.4186 29.9879 174.3661 49 V 4.2094 8.7011 125.0093 61.7140 33.2274 174.2846 50 C 5.0497 8.8861 125.5085 56.8613 40.6012 172.4950 51 A 5.1236 8.8894 123.9890 50.0218 23.1420 174.7907 52 N 3.5172 8.0552 118.7197 51.8795 39.2721 174.5092 53 P 4.0857 0.0000 0.0000 65.2399 31.5863 177.3592 54 E 4.0881 8.2340 116.6478 57.6805 29.9719 177.9265 55 K 4.0286 7.4240 119.7496 55.5378 33.6709 177.5523 56 K 3.8431 8.6155 124.7351 59.5024 32.1508 179.1400 57 W 4.1808 8.1403 116.4527 59.4739 27.9530 178.2455 58 V 2.8277 6.3051 118.4212 65.4443 30.9050 178.0127 59 R 3.8058 7.7664 117.7543 59.4723 29.7353 179.0412 60 E 4.1321 8.2910 116.9831 59.1383 29.6725 178.9175 61 Y 4.2547 8.4042 117.8169 61.1704 37.5873 178.4273 62 I 3.5100 7.9946 113.9721 63.8104 37.3344 177.6916 63 N 4.5908 8.1758 117.3299 54.7406 38.4020 175.7289 64 S 4.6505 7.6818 113.0324 57.7337 62.1544 173.5660 65 L 4.5726 7.6128 121.4207 53.8974 43.5293 175.8623 66 E 4.0592 8.8323 115.0316 57.9686 26.9274 174.9939 67 M 4.3495 7.5100 122.8075 55.5683 32.4841 175.7620 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 2 P 0.00 4.42 0.00 2.11 2.00 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 3 Y 8.46 4.16 0.00 3.17 2.90 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 4 S 8.65 4.21 0.00 4.01 4.05 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 5 S 8.05 4.56 0.00 3.99 4.02 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 6 D 7.76 4.72 0.00 2.78 2.68 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 7 T 8.14 4.20 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 1.24 0.00 0.00 8 T 7.94 4.67 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 1.25 0.00 0.00 9 P 0.00 4.54 0.00 2.39 2.16 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 10 C 8.57 5.03 0.00 2.89 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.93 0.00 2.76 2.78 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 0.00 0.00 0.00 12 F 8.36 4.63 0.00 2.98 2.98 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 13 A 7.42 4.35 1.19 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 0.00 0.00 14 Y 8.01 5.00 0.00 3.04 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 15 I 8.73 3.88 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 1.32 0.00 0.00 16 A 8.97 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.08 0.00 1.84 1.73 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 18 P 0.00 2.97 0.00 1.33 0.49 0.00 3.16 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 19 L 7.73 4.17 0.00 1.77 1.67 1.03 0.83 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 20 P 0.00 4.10 0.00 1.60 1.77 0.00 3.59 0.00 0.00 3.63 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 21 R 8.66 3.46 0.00 1.20 1.61 0.00 2.65 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.00 22 A 7.69 4.12 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 23 H 8.45 4.62 0.00 3.38 3.33 0.00 5.62 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 24 I 7.40 4.88 1.95 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 1.19 0.00 0.00 25 K 8.58 4.56 0.00 1.78 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.46 7.81 26 E 8.08 5.01 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 2.32 2.24 0.00 27 Y 9.07 5.83 0.00 2.65 2.98 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 28 F 7.95 4.79 0.00 3.04 3.04 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 29 Y 8.64 5.16 0.00 2.96 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 30 T 8.41 4.41 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 31 S 8.91 4.21 0.00 3.91 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 32 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 33 K 8.02 4.13 0.00 1.79 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.57 7.81 34 C 7.83 4.56 0.00 3.01 2.89 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 0.00 0.00 0.00 35 S 8.60 4.09 0.00 4.02 4.07 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 0.00 0.00 0.00 0.00 36 N 7.63 5.06 0.00 2.64 2.71 0.00 0.00 6.94 8.02 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 37 P 0.00 4.50 0.00 2.19 2.05 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 38 A 8.02 4.60 1.31 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 0.00 0.00 0.00 39 V 7.97 4.19 1.48 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 -0.20 0.00 0.00 0.48 0.00 0.00 40 V 8.02 4.36 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 0.60 0.00 0.00 0.58 0.00 0.00 41 F 9.00 5.21 0.00 3.07 2.98 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 42 V 8.98 4.66 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 1.15 0.00 0.00 1.17 0.00 0.00 43 T 8.70 5.09 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 44 R 8.70 4.19 0.00 1.84 2.03 0.00 3.16 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 45 E 8.03 4.41 0.00 1.96 1.98 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 2.22 2.28 0.00 46 N 8.18 4.46 0.00 2.93 3.00 0.00 0.00 6.95 7.27 0.00 0.00 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 R 7.90 4.30 0.00 1.85 1.90 0.00 3.11 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 48 Q 8.68 5.03 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 49 V 8.70 4.21 2.31 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 1.06 0.00 0.00 1.04 0.00 0.00 50 C 8.89 5.05 0.00 3.12 3.08 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 51 A 8.89 5.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 3.52 0.00 1.75 2.24 0.00 0.00 7.03 7.71 0.00 0.00 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 P 0.00 4.09 0.00 1.98 2.10 0.00 3.43 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 54 E 8.23 4.09 0.00 1.93 1.91 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 2.23 2.35 0.00 55 K 7.42 4.03 0.00 1.34 1.30 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.51 7.81 56 K 8.62 3.84 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.62 7.81 57 W 8.14 4.18 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.31 2.83 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 0.72 0.00 0.00 -0.76 0.00 0.00 59 R 7.77 3.81 0.00 1.98 1.92 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 60 E 8.29 4.13 0.00 2.08 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 0.00 2.57 2.55 0.00 61 Y 8.40 4.25 0.00 3.21 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 62 I 7.99 3.51 1.10 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.75 0.13 0.00 0.00 63 N 8.18 4.59 0.00 2.77 2.95 0.00 0.00 6.83 7.73 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 64 S 7.68 4.65 0.00 3.94 3.92 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 65 L 7.61 4.57 0.00 1.98 1.85 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.83 4.06 0.00 2.20 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 0.00 2.36 2.53 0.00 67 M 7.51 4.35 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.47 0.00