NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0063 8.0093 120.8003 63.0386 39.0050 176.4581 4 K 3.4556 8.1066 114.1596 57.2910 32.3623 169.4523 5 V 4.4082 8.8227 123.6631 61.3327 34.9894 173.7369 6 R 4.2599 7.8150 121.7001 54.5244 33.1682 174.1527 7 E 3.7522 8.1382 130.0459 56.3561 27.4907 176.0971 8 N 4.4999 8.4030 127.4386 51.9168 38.9587 174.0406 9 E 3.5562 8.4655 116.7948 55.7644 28.9017 170.8479 10 P 4.5452 0.0000 0.0000 59.8428 32.9461 174.4361 11 F 5.1133 7.0949 119.5851 56.3367 38.8507 172.9933 12 D 4.9644 8.1615 119.8747 52.5563 40.7010 175.8122 13 V 4.0742 7.7791 118.6739 59.9948 32.4662 176.7652 14 A 3.8534 8.9445 129.0309 54.4755 18.5036 178.0465 15 L 3.3512 7.5683 109.9881 57.2470 39.4335 174.7870 16 R 4.7387 7.9050 127.9805 55.0436 30.7102 177.1338 17 R 4.0630 8.0861 118.2483 59.2601 29.9959 178.3676 18 F 4.3621 8.4486 117.1567 60.1261 38.7793 177.7182 19 K 4.0857 8.1586 118.4995 59.5202 31.7465 179.1338 20 R 4.1347 7.4697 113.2292 56.7729 29.5843 177.0873 21 S 4.7538 7.8292 113.6925 58.6926 65.7211 173.5878 22 C 4.9863 7.4442 113.9837 59.1936 30.1781 177.4884 23 E 4.1297 9.3409 130.8516 56.9068 28.6089 180.7120 24 K 3.7682 9.2296 134.5424 57.0581 32.3722 173.4576 25 A 3.9638 9.0467 117.5298 56.2479 18.1061 180.2454 26 G 3.7877 7.1553 101.4643 48.5954 0.0000 174.4864 27 V 4.0452 7.6770 118.9341 62.0173 32.0300 176.4907 28 L 4.4110 7.2021 117.0320 57.0356 43.1000 177.6962 29 A 3.9309 8.5078 120.3512 56.3779 18.3309 179.0614 30 E 3.5933 7.4692 112.3931 60.2995 29.6300 180.0083 31 V 3.3555 7.9903 117.1149 67.7471 31.8576 181.7634 32 R 2.8933 7.8018 114.7446 55.6310 33.4155 174.9163 33 R 4.4586 7.5729 120.5715 55.1072 32.8637 173.4707 34 R 3.8591 8.5875 129.6077 55.1669 31.7423 177.1941 35 E 4.4035 8.3547 118.4761 55.3835 28.6879 176.8441 36 F 5.0884 10.0629 119.8764 54.0984 36.5106 173.2829 37 Y 4.2105 9.7340 128.6763 58.6047 39.0440 169.0560 38 E 5.4917 7.5821 113.7191 55.7726 32.2472 176.8494 39 K 4.1814 7.4236 120.8531 56.4049 32.5957 175.6711 40 P 4.3164 0.0000 0.0000 64.5314 31.6987 177.9896 41 T 3.8626 7.6567 116.2842 67.0992 68.3491 176.5002 42 T 3.9035 7.7042 109.7332 65.2446 69.1307 174.9996 43 E 3.9286 7.7937 122.5825 58.6690 29.4112 178.3061 44 R 3.9166 8.8058 120.2285 58.6743 30.3555 178.2030 45 K 4.3028 7.6052 117.4715 57.5764 32.3582 177.5902 46 R 4.3165 8.1549 117.2974 57.7199 30.6896 177.7688 47 A 4.2014 7.4953 119.1977 53.7722 18.3441 179.3717 48 K 3.7658 7.8736 118.7251 59.5778 32.4568 178.3990 49 A 4.2129 7.5438 116.9467 53.7099 18.0951 177.7439 50 S 4.5311 8.0714 112.1282 60.3253 64.3017 176.9216 51 A 4.5201 7.5906 121.6444 52.5739 17.8117 178.2080 52 V 4.1745 7.5918 118.9771 62.4855 32.8308 175.7855 53 K 4.1061 7.3960 127.6278 56.8302 31.9625 176.0945 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 8.01 4.01 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 1.30 0.00 0.00 4 K 8.11 3.46 0.00 2.07 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 V 8.82 4.41 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 0.76 0.00 0.00 0.86 0.00 0.00 6 R 7.82 4.26 0.00 1.78 1.80 0.00 3.41 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 7 E 8.14 3.75 0.00 2.26 2.41 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 2.28 2.30 0.00 8 N 8.40 4.50 0.00 2.65 2.62 0.00 0.00 7.33 7.65 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 9 E 8.47 3.56 0.00 1.98 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 2.31 2.35 0.00 10 P 0.00 4.55 0.00 2.10 1.94 0.00 3.62 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 1.87 1.96 0.00 11 F 7.09 5.11 0.00 3.17 3.22 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 12 D 8.16 4.96 0.00 2.64 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 13 V 7.78 4.07 1.93 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 0.40 0.00 0.00 0.83 0.00 0.00 14 A 8.94 3.85 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 15 L 7.57 3.35 0.00 1.78 1.81 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.90 4.74 0.00 1.87 1.86 0.00 3.32 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 17 R 8.09 4.06 0.00 2.02 2.07 0.00 3.24 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 18 F 8.45 4.36 0.00 2.98 3.12 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 19 K 8.16 4.09 0.00 1.96 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.65 7.81 20 R 7.47 4.13 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 21 S 7.83 4.75 0.00 3.86 3.76 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 0.00 0.00 0.00 22 C 7.44 4.99 0.00 2.82 1.84 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 23 E 9.34 4.13 0.00 2.01 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 2.37 2.27 0.00 24 K 9.23 3.77 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 25 A 9.05 3.96 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 26 G 7.16 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.68 4.05 2.05 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 0.81 0.00 0.00 0.90 0.00 0.00 28 L 7.20 4.41 0.00 1.93 1.66 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.51 3.93 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 30 E 7.47 3.59 0.00 2.04 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 2.30 2.46 0.00 31 V 7.99 3.36 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 0.97 0.00 0.00 0.91 0.00 0.00 32 R 7.80 2.89 0.00 2.04 2.05 0.00 3.40 0.00 0.00 3.12 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 33 R 7.57 4.46 0.00 1.69 1.72 0.00 3.48 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 34 R 8.59 3.86 0.00 2.00 1.91 0.00 3.38 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 35 E 8.35 4.40 0.00 2.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 36 F 10.06 5.09 0.00 3.15 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 37 Y 9.73 4.21 0.00 3.25 3.16 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 38 E 7.58 5.49 0.00 1.91 1.84 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 2.19 2.04 0.00 39 K 7.42 4.18 0.00 1.68 1.32 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.53 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.76 1.18 7.81 40 P 0.00 4.32 0.00 2.46 2.76 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 41 T 7.66 3.86 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 1.26 0.00 0.00 42 T 7.70 3.90 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 1.17 0.00 0.00 43 E 7.79 3.93 0.00 2.39 1.94 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 2.33 2.36 0.00 44 R 8.81 3.92 0.00 1.99 2.04 0.00 3.20 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 45 K 7.61 4.30 0.00 1.85 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 46 R 8.15 4.32 0.00 2.02 1.93 0.00 3.33 0.00 0.00 3.16 7.61 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 7.50 4.20 1.39 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 48 K 7.87 3.77 0.00 1.80 2.04 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 49 A 7.54 4.21 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 8.07 4.53 0.00 4.05 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 7.59 4.52 1.28 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 0.00 0.00 0.00 52 V 7.59 4.17 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 0.75 0.00 0.00 0.93 0.00 0.00 53 K 7.40 4.11 0.00 1.88 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81