NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.1138 8.4293 121.4519 55.7909 31.5199 176.0936 20 I 4.3827 7.5506 107.3200 59.4675 40.6246 172.9111 21 D 4.9667 7.7384 119.1117 52.3034 43.6189 175.7594 22 Y 4.4875 7.7690 120.7502 58.6285 39.1788 178.1016 23 K 4.0841 7.1001 119.3800 59.1239 32.8150 177.6075 24 D 4.6760 7.4991 118.1137 53.6260 38.9361 176.8861 25 I 3.7878 7.5466 115.6577 63.4592 37.6599 178.1270 26 A 3.9762 7.8552 122.0645 55.6816 18.2187 179.2924 27 T 4.1529 9.1770 114.9916 66.5442 68.4960 177.1939 28 L 4.3138 7.8331 121.4146 57.3699 41.5188 178.8539 29 K 4.1491 7.7184 118.2926 58.7131 32.1072 177.7320 30 N 4.4264 7.7177 114.5928 55.2300 39.4651 175.0582 31 Y 4.6956 8.4350 119.2741 56.6919 38.2829 176.0637 32 I 4.8381 7.3113 119.8204 60.2091 41.3849 175.7524 33 T 4.2552 8.3952 115.8923 61.1420 69.4670 175.1927 34 E 4.5386 8.4016 120.1228 56.6629 28.4629 178.0358 35 S 4.5649 9.2539 112.6657 57.9237 66.0337 174.8441 36 G 4.2415 8.6808 111.9494 45.4524 0.0000 174.7325 37 K 4.0193 7.8321 118.8873 56.6451 32.9402 175.7504 38 I 4.5024 7.9934 114.0122 60.6743 38.7619 175.8677 39 V 3.9107 8.0967 118.4106 60.6639 31.6831 174.6256 40 P 4.4353 0.0000 0.0000 62.9592 32.1329 177.2186 41 S 4.5939 8.9898 114.6261 59.9276 62.7516 176.4203 42 R 4.0367 8.0457 115.7769 58.2333 29.5426 176.7713 43 I 4.5319 6.8769 119.9235 60.6960 37.3157 176.3506 44 T 4.4483 8.1029 107.3766 61.3536 72.9561 175.1734 45 G 4.1529 7.3103 115.5465 47.2562 0.0000 174.2800 46 T 3.6960 8.3233 112.4142 59.5132 68.0272 173.8040 47 R 4.0839 8.8847 127.6648 56.1060 32.1081 177.6154 48 A 3.8848 8.3447 122.3571 55.3239 18.2202 179.7363 49 K 3.6904 7.9563 117.4943 60.2353 32.0516 178.2359 50 Y 4.3832 7.5466 116.0192 61.1239 37.9283 177.5108 51 Q 3.9877 8.6272 120.8721 59.3964 29.0827 179.0759 52 R 3.8341 8.1049 118.7195 59.3851 30.0784 178.6639 53 Q 3.9656 7.7462 118.9547 59.1095 29.0571 178.2378 54 L 3.8782 8.4034 121.3765 57.9866 42.0379 178.5420 55 A 3.9357 7.8258 120.7002 55.4540 18.2837 179.6245 56 R 3.7479 7.7619 115.5563 59.4505 30.1461 179.0264 57 A 4.0494 7.6978 120.3594 55.4275 18.3980 179.8260 58 I 3.6860 7.6614 118.0005 64.2911 36.9062 178.7301 59 K 3.7126 8.1618 119.9968 59.4114 31.7986 179.6444 60 R 3.2565 7.8163 115.9500 58.9054 29.2011 178.7233 61 A 4.0037 7.8139 121.6387 55.1358 18.4947 179.7396 62 R 4.1959 7.8636 117.8784 59.0935 29.8189 178.8586 63 Y 4.3866 7.7301 115.4774 60.4071 38.0681 176.1591 64 L 4.2873 7.5885 119.7346 54.4160 42.1271 176.2338 65 S 3.9068 7.8602 109.3523 59.8623 61.1973 172.3771 66 L 4.3755 7.8998 118.1581 55.6109 41.4899 176.7042 67 L 4.7784 7.4062 117.6488 52.4142 45.7947 173.0340 68 P 4.7669 0.0000 0.0000 62.2753 32.5721 176.0990 69 Y 4.0466 8.9439 119.3691 60.9594 38.0057 175.6185 70 T 4.9681 7.4814 106.3536 59.7397 72.0213 173.0721 71 D 4.5946 8.5559 119.6139 55.7580 41.3136 178.0175 72 R 4.1130 7.9313 118.7657 58.7752 30.7023 175.6089 73 H 4.3888 8.1112 119.6239 56.6644 30.8202 173.7532 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 19 E 8.43 4.11 0.00 1.78 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 1.92 1.90 0.00 20 I 7.55 4.38 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.78 0.00 0.00 21 D 7.74 4.97 0.00 2.50 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 4.49 0.00 3.25 3.20 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 23 K 7.10 4.08 0.00 1.60 1.79 0.00 1.67 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.21 7.81 24 D 7.50 4.68 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.79 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 1.04 0.00 0.00 26 A 7.86 3.98 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 27 T 9.18 4.15 4.29 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 1.33 0.00 0.00 28 L 7.83 4.31 0.00 1.70 1.78 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.72 4.15 0.00 1.92 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 30 N 7.72 4.43 0.00 2.36 2.38 0.00 0.00 6.86 7.34 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 31 Y 8.44 4.70 0.00 3.01 2.95 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 0.00 0.00 0.00 32 I 7.31 4.84 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 1.02 0.00 0.00 33 T 8.40 4.26 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 1.25 0.00 0.00 34 E 8.40 4.54 0.00 1.97 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 2.31 2.39 0.00 35 S 9.25 4.56 0.00 3.77 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 36 G 8.68 4.24 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 0.00 37 K 7.83 4.02 0.00 1.97 2.00 0.00 1.52 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.47 7.81 38 I 7.99 4.50 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.92 0.00 0.00 39 V 8.10 3.91 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 0.70 0.00 0.00 1.05 0.00 0.00 40 P 0.00 4.44 0.00 2.09 2.01 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 41 S 8.99 4.59 0.00 4.09 3.87 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 42 R 8.05 4.04 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 I 6.88 4.53 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.92 0.00 0.00 44 T 8.10 4.45 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 1.25 0.00 0.00 45 G 7.31 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 3.70 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 1.40 0.00 0.00 47 R 8.88 4.08 0.00 1.64 1.60 0.00 3.13 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 48 A 8.34 3.88 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 49 K 7.96 3.69 0.00 1.65 1.44 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 50 Y 7.55 4.38 0.00 3.17 2.80 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 0.00 0.00 0.00 51 Q 8.63 3.99 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 52 R 8.10 3.83 0.00 2.04 1.94 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 53 Q 7.75 3.97 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 54 L 8.40 3.88 0.00 1.60 1.67 -0.48 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.83 3.94 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 56 R 7.76 3.75 0.00 2.03 1.95 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 57 A 7.70 4.05 1.37 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 0.00 0.00 0.00 58 I 7.66 3.69 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.88 0.00 0.00 59 K 8.16 3.71 0.00 1.70 1.45 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.54 7.81 60 R 7.82 3.26 0.00 1.62 1.85 0.00 2.80 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.36 0.00 61 A 7.81 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.20 0.00 1.90 1.33 0.00 2.83 0.00 0.00 2.69 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 63 Y 7.73 4.39 0.00 2.98 3.02 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 64 L 7.59 4.29 0.00 1.71 1.72 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.86 3.91 0.00 4.12 3.95 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 0.00 0.00 0.00 66 L 7.90 4.38 0.00 1.78 1.76 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.41 4.78 0.00 1.66 1.51 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.77 0.00 2.54 2.10 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 69 Y 8.94 4.05 0.00 2.94 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 70 T 7.48 4.97 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 1.31 0.00 0.00 71 D 8.56 4.59 0.00 2.71 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 72 R 7.93 4.11 0.00 1.78 1.96 0.00 3.27 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 73 H 8.11 4.39 0.00 3.11 3.07 0.00 5.72 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