NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.3377 8.4449 121.4529 55.2446 31.8868 175.4855 10 K 4.7022 7.5958 115.1733 55.4706 37.1131 174.0752 11 K 4.7405 8.5020 122.4704 55.3813 34.3758 174.9971 12 Y 5.3417 9.0764 121.3340 56.4373 43.2606 173.9623 13 I 5.0150 9.1170 121.6134 59.7013 40.5164 174.9418 14 V 4.3223 9.1549 127.7811 61.1884 33.0879 174.8756 15 G 3.3915 7.8177 116.0780 44.8721 0.0000 172.0847 16 F 5.2066 8.7732 121.0974 55.0668 42.1239 175.6278 17 K 4.5883 8.8152 122.6043 55.5378 33.2057 176.8156 18 Q 4.0996 8.6142 119.1353 57.9675 28.8282 176.5683 19 G 3.7547 9.3254 107.8659 45.5225 0.0000 173.4240 20 F 4.6330 7.4900 116.3936 56.5496 40.0926 176.5970 21 K 4.0520 8.2591 123.6065 59.2762 32.6453 177.8590 22 S 4.3322 7.6618 113.2065 57.9428 65.1638 175.4304 23 C 4.1148 8.6384 122.7162 59.7821 44.1074 175.6587 24 A 3.9156 7.9476 121.8725 55.2360 17.7609 179.6505 25 K 3.9738 7.9018 116.5062 59.4071 32.1104 179.7554 26 K 3.1703 7.5563 118.3534 59.2474 31.8978 178.9813 27 E 3.9431 8.4603 119.8995 59.4238 29.4408 178.5666 28 D 4.3938 8.2129 118.9528 57.2754 40.3893 178.9745 29 V 3.7341 7.6246 118.8066 66.1619 31.5213 178.2587 30 I 3.7549 7.8811 119.6642 64.2738 36.8275 178.4397 31 S 4.2345 8.5750 114.8196 61.3220 62.0578 176.0117 32 E 3.9730 8.2696 119.3666 58.9172 29.2443 178.2679 33 K 4.5189 7.5391 116.3911 55.8568 32.3099 177.3402 34 G 3.8316 8.2402 107.9180 45.4384 0.0000 173.9334 35 G 4.0291 7.8723 106.7549 44.8793 0.0000 174.0011 36 K 4.6443 8.6845 119.4886 53.8862 34.4672 175.9753 37 L 4.1625 8.6984 127.6794 56.2058 42.1573 175.6383 38 Q 4.5504 9.1462 124.3675 56.9174 30.4085 175.8025 39 K 4.5541 7.8516 119.0830 55.1636 36.2165 173.3894 40 C 4.7290 8.5275 124.1924 55.3271 41.4598 173.9226 41 F 4.8507 7.9568 122.7316 57.5483 39.3621 175.7146 42 K 4.0623 8.6704 122.1151 58.4234 32.6403 177.4291 43 Y 4.5767 7.7171 113.5982 59.3555 39.5579 176.7291 44 V 3.8565 7.8241 118.2880 63.1245 32.6933 176.4509 45 D 4.7623 8.7398 128.1188 52.2440 39.3978 174.0089 46 A 5.2900 7.6399 122.5457 51.6199 23.6477 175.5722 47 A 4.4295 8.7296 119.8271 50.3606 23.0654 176.3013 48 S 4.9292 8.4110 116.0395 58.4914 64.9429 173.0285 49 A 5.0604 8.8852 121.6606 51.3914 23.1323 175.0241 50 T 5.0850 8.9624 110.8354 60.2351 71.1609 173.7836 51 L 5.0956 8.7020 124.6371 52.9878 45.8063 176.3884 52 N 4.7767 8.7301 120.7024 51.8334 39.0101 175.8263 53 E 3.9700 8.6170 117.3384 59.2303 29.3425 179.5099 54 K 3.9158 8.0799 119.2514 59.3396 32.2646 178.5990 55 A 4.0341 8.4189 121.2148 54.9250 18.2608 179.6900 56 V 3.2062 7.5593 116.7338 66.1017 31.5698 177.9242 57 E 3.8970 8.0227 118.1110 59.6867 29.1266 179.4349 58 E 3.9503 7.9448 116.9417 59.2602 29.7835 179.1602 59 L 4.0031 8.1659 119.4440 57.7152 41.4681 179.4539 60 K 3.7929 7.7646 117.2097 59.3510 32.1072 178.6307 61 K 4.2682 7.5629 115.1952 55.8469 32.6621 176.3732 62 D 4.5135 7.5853 121.2477 52.7465 41.6907 175.1593 63 P 4.2272 0.0000 0.0000 65.9464 31.6289 177.7220 64 S 4.0916 8.7105 114.2132 60.2420 63.6504 174.2394 65 V 4.0750 7.5600 120.0853 61.1382 32.0085 175.5900 66 A 4.4366 8.6359 130.4979 54.5648 19.4801 176.7379 67 Y 4.7335 6.6672 110.3826 56.2573 41.3012 173.7451 68 V 4.9573 8.4947 120.0337 61.1864 34.1063 174.3114 69 E 5.0504 9.4693 124.9589 54.2516 33.4350 174.9046 70 E 4.1352 8.9263 120.1443 56.7892 30.3189 177.2891 71 D 4.8443 8.3651 124.8903 53.0588 39.3367 176.0449 72 K 4.3351 8.1298 121.3765 55.3675 34.3958 177.3600 73 L 4.5166 8.0565 119.6654 54.3297 42.6195 176.0916 74 Y 4.7505 8.4771 118.8343 56.3122 41.3046 175.2693 75 R 4.6909 8.2506 119.1554 53.9189 34.2841 175.2324 76 A 4.0410 8.6110 123.5986 52.9403 19.2132 178.5342 77 L 4.5202 8.2558 124.8474 54.0994 41.3237 176.6648 78 S 4.6592 7.5892 111.0756 56.4030 66.1503 173.0690 79 A 4.3044 8.4436 127.3473 52.3946 19.0553 175.9497 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 E 8.44 4.34 0.00 1.90 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 2.19 2.33 0.00 10 K 7.60 4.70 0.00 1.79 1.81 0.00 1.75 0.00 0.00 1.99 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.59 7.81 11 K 8.50 4.74 0.00 1.59 1.68 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 12 Y 9.08 5.34 0.00 2.95 2.84 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 0.00 0.00 0.00 13 I 9.12 5.01 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.30 0.00 0.00 14 V 9.15 4.32 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 0.25 0.00 0.00 0.83 0.00 0.00 15 G 7.82 3.39 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 0.00 0.00 0.00 0.00 16 F 8.77 5.21 0.00 2.85 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 17 K 8.82 4.59 0.00 1.79 1.90 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.38 7.81 18 Q 8.61 4.10 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 19 G 9.33 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 20 F 7.49 4.63 0.00 2.90 2.63 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 21 K 8.26 4.05 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 22 S 7.66 4.33 0.00 4.03 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 23 C 8.64 4.11 0.00 2.94 3.06 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 24 A 7.95 3.92 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 25 K 7.90 3.97 0.00 1.94 1.97 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 26 K 7.56 3.17 0.00 1.66 1.51 0.00 1.47 0.00 0.00 1.39 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.25 7.81 27 E 8.46 3.94 0.00 2.02 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 2.30 2.34 0.00 28 D 8.21 4.39 0.00 2.99 2.73 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 29 V 7.62 3.73 2.44 0.00 0.00 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 0.00 0.00 0.96 0.00 0.00 30 I 7.88 3.75 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.94 0.00 0.00 31 S 8.58 4.23 0.00 3.95 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 32 E 8.27 3.97 0.00 2.15 2.22 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 2.52 2.34 0.00 33 K 7.54 4.52 0.00 1.71 1.82 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.52 7.81 34 G 8.24 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 0.00 0.00 0.00 35 G 7.87 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 36 K 8.68 4.64 0.00 1.69 1.73 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 37 L 8.70 4.16 0.00 1.63 1.57 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 9.15 4.55 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 39 K 7.85 4.55 0.00 1.78 1.52 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 40 C 8.53 4.73 0.00 2.80 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 41 F 7.96 4.85 0.00 3.41 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 42 K 8.67 4.06 0.00 0.98 1.05 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.35 7.81 43 Y 7.72 4.58 0.00 3.01 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 44 V 7.82 3.86 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 45 D 8.74 4.76 0.00 2.91 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 46 A 7.64 5.29 1.52 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 0.00 0.00 47 A 8.73 4.43 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 48 S 8.41 4.93 0.00 3.95 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 49 A 8.89 5.06 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.96 5.09 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 51 L 8.70 5.10 0.00 1.36 1.40 0.62 1.03 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 52 N 8.73 4.78 0.00 2.96 2.98 0.00 0.00 6.28 7.66 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 53 E 8.62 3.97 0.00 2.03 2.04 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 2.45 2.41 0.00 54 K 8.08 3.92 0.00 1.80 1.91 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.48 7.81 55 A 8.42 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.56 3.21 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 0.74 0.00 0.00 0.03 0.00 0.00 57 E 8.02 3.90 0.00 2.19 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 2.30 2.46 0.00 58 E 7.94 3.95 0.00 2.09 1.96 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 2.31 2.48 0.00 59 L 8.17 4.00 0.00 1.57 1.50 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.76 3.79 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.55 7.81 61 K 7.56 4.27 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 62 D 7.59 4.51 0.00 2.74 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 63 P 0.00 4.23 0.00 2.10 2.13 0.00 3.71 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 2.04 2.12 0.00 64 S 8.71 4.09 0.00 3.44 2.63 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 65 V 7.56 4.07 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 0.48 0.00 0.00 0.50 0.00 0.00 66 A 8.64 4.44 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 67 Y 6.67 4.73 0.00 3.06 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 68 V 8.49 4.96 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 0.66 0.00 0.00 0.75 0.00 0.00 69 E 9.47 5.05 0.00 2.10 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 0.00 2.64 2.43 0.00 70 E 8.93 4.14 0.00 1.86 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 1.95 2.36 0.00 71 D 8.37 4.84 0.00 2.64 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 72 K 8.13 4.34 0.00 1.80 1.75 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.47 7.81 73 L 8.06 4.52 0.00 1.62 1.64 0.91 0.79 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 74 Y 8.48 4.75 0.00 2.86 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 75 R 8.25 4.69 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 76 A 8.61 4.04 1.26 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 0.00 0.00 0.00 77 L 8.26 4.52 0.00 1.66 1.67 0.94 0.81 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 78 S 7.59 4.66 0.00 3.76 3.67 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 79 A 8.44 4.30 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