NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0815 8.0244 114.2702 60.5882 38.8523 174.5795 4 K 4.2903 8.3950 121.6278 54.7704 34.0565 170.6778 5 V 4.4539 8.5054 118.8158 60.7877 33.6766 175.3939 6 R 4.1472 7.8981 119.2277 56.4012 30.2792 175.3479 7 E 4.7061 8.2613 121.6335 55.3517 33.6493 174.2451 8 N 4.4684 8.1795 118.2163 52.4800 40.6829 175.4702 9 E 3.6149 8.0863 117.8042 55.3569 27.8028 173.3889 10 P 4.3864 0.0000 0.0000 64.7296 31.5043 176.1619 11 F 5.0704 6.9404 114.1030 55.4651 39.6519 175.9342 12 D 4.8044 8.3842 118.1170 54.4397 41.8452 174.6596 13 V 4.6095 7.8014 112.0584 59.7347 35.4995 174.1146 14 A 4.8703 8.1321 122.5155 49.5803 21.7664 176.5138 15 L 4.0945 8.4825 122.2276 55.3463 43.5829 178.4981 16 R 3.9369 8.5818 125.6445 59.4239 30.2434 178.5407 17 R 4.0894 7.9605 116.8019 59.2335 30.0543 178.1008 18 F 4.6823 8.0429 119.7186 58.4768 40.1709 175.3654 19 K 4.1091 7.8593 119.2871 55.7942 31.8315 177.9852 20 R 4.7485 7.3525 113.0065 56.8638 36.5737 175.7403 21 S 4.6447 7.8414 117.7334 59.3445 60.8141 175.2582 22 C 4.6935 9.1311 125.5032 60.1463 28.0939 172.1907 23 E 4.6886 7.2994 117.0668 54.8611 32.3602 174.2409 24 K 4.5419 7.8278 118.6397 54.7990 35.3674 175.0953 25 A 4.3589 8.1444 124.2600 52.1069 22.3439 175.6912 26 G 4.0955 8.6625 110.9869 46.1141 0.0000 173.5614 27 V 4.3521 7.0377 117.0711 61.1170 33.7053 173.2721 28 L 4.7733 8.1845 115.8188 54.9009 42.7846 174.1233 29 A 4.5359 7.9600 129.2277 50.7796 20.7877 179.2773 30 E 4.0263 8.5665 122.0996 60.8095 29.7462 179.5006 31 V 4.3014 7.5251 110.1212 61.1113 32.1460 176.8021 32 R 4.6270 7.7690 114.1563 56.1665 33.2914 174.6794 33 R 4.7690 7.6073 116.3025 53.4960 34.0422 174.9720 34 R 4.1172 8.3167 115.4311 56.1641 29.9224 176.4342 35 E 4.3814 8.4830 117.8383 56.4076 30.7816 175.4264 36 F 5.3008 8.1522 119.5641 58.3881 41.9893 173.0215 37 Y 4.6503 6.8249 119.2990 57.1441 40.5162 176.5703 38 E 3.6508 5.9000 118.8596 58.4670 29.6742 177.6396 39 K 4.2710 6.6949 115.8425 55.7918 33.0243 176.6647 40 P 4.4189 0.0000 0.0000 64.4827 30.3984 176.7369 41 T 4.4101 7.5759 108.3656 61.8317 69.6315 175.8992 42 T 4.2133 7.3859 112.3037 63.9011 68.8932 176.7369 43 E 3.9520 8.0536 120.6784 59.5096 29.7600 178.6869 44 R 3.9976 7.9855 118.0081 59.3744 30.1048 178.3969 45 K 4.0568 7.4594 115.2463 58.9015 31.8107 179.0045 46 R 4.1549 8.1018 117.2478 57.5807 29.9885 177.4888 47 A 4.9203 7.4841 121.4082 51.6122 19.1190 178.4455 48 K 3.9108 7.8903 118.7224 58.0340 32.6656 177.7161 49 A 4.5056 7.4323 118.5295 52.4948 18.6957 177.7377 50 S 4.5029 7.7664 113.0738 59.1276 63.6853 175.3631 51 A 4.5510 7.5339 122.3311 51.6664 19.0935 176.2746 52 V 4.3914 7.4824 110.8039 60.7028 33.3945 176.3224 53 K 4.1412 8.3060 122.0538 56.9587 32.9652 175.8808 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 3 I 8.02 4.08 1.86 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 1.30 1.12 0.90 0.00 0.00 4 K 8.40 4.29 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.53 7.81 5 V 8.51 4.45 2.11 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 0.77 0.00 0.00 0.95 0.00 0.00 6 R 7.90 4.15 0.00 1.76 1.86 0.00 3.09 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 7 E 8.26 4.71 0.00 2.24 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 2.50 2.52 0.00 8 N 8.18 4.47 0.00 2.53 2.61 0.00 0.00 6.98 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 9 E 8.09 3.61 0.00 1.17 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 10 P 0.00 4.39 0.00 2.11 2.14 0.00 3.65 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 2.05 2.06 0.00 11 F 6.94 5.07 0.00 3.09 2.97 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 0.00 0.00 0.00 12 D 8.38 4.80 0.00 2.89 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 13 V 7.80 4.61 2.14 0.00 0.00 0.00 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 0.99 0.00 0.00 14 A 8.13 4.87 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 15 L 8.48 4.09 0.00 1.83 1.71 0.95 0.86 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 16 R 8.58 3.94 0.00 1.86 1.96 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 17 R 7.96 4.09 0.00 1.89 2.03 0.00 3.43 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 18 F 8.04 4.68 0.00 3.02 3.05 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 19 K 7.86 4.11 0.00 1.76 1.77 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.54 7.81 20 R 7.35 4.75 0.00 1.98 1.89 0.00 3.43 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 21 S 7.84 4.64 0.00 4.28 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 22 C 9.13 4.69 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.30 4.69 0.00 1.77 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 1.88 2.04 0.00 24 K 7.83 4.54 0.00 1.61 1.61 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.46 7.81 25 A 8.14 4.36 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.66 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 27 V 7.04 4.35 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 0.70 0.00 0.00 0.93 0.00 0.00 28 L 8.18 4.77 0.00 1.54 1.56 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 4.54 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.03 0.00 2.10 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 0.00 2.41 2.41 0.00 31 V 7.53 4.30 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 0.74 0.00 0.00 0.94 0.00 0.00 32 R 7.77 4.63 0.00 1.87 1.88 0.00 3.11 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 33 R 7.61 4.77 0.00 1.76 1.82 0.00 3.22 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 34 R 8.32 4.12 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 35 E 8.48 4.38 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 2.33 2.45 0.00 36 F 8.15 5.30 0.00 2.68 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 37 Y 6.82 4.65 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 5.90 3.65 0.00 1.18 1.68 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 1.47 1.47 0.00 39 K 6.69 4.27 0.00 1.81 1.83 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.44 7.81 40 P 0.00 4.42 0.00 2.13 2.17 0.00 3.01 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 41 T 7.58 4.41 4.19 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 1.20 0.00 0.00 42 T 7.39 4.21 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 1.19 0.00 0.00 43 E 8.05 3.95 0.00 1.94 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 2.42 2.30 0.00 44 R 7.99 4.00 0.00 1.85 2.06 0.00 3.16 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 45 K 7.46 4.06 0.00 1.92 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 46 R 8.10 4.15 0.00 2.09 1.96 0.00 3.10 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 47 A 7.48 4.92 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.89 3.91 0.00 1.82 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 49 A 7.43 4.51 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 50 S 7.77 4.50 0.00 4.04 3.89 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 51 A 7.53 4.55 1.22 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 0.00 0.00 0.00 0.00 0.00 52 V 7.48 4.39 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 0.81 0.00 0.00 1.00 0.00 0.00 53 K 8.31 4.14 0.00 1.69 1.63 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81