NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9388 8.3549 109.7371 45.1221 0.0000 173.4749 3 K 3.8467 8.6078 121.0798 55.8276 32.8505 170.7696 4 V 4.5493 8.6356 121.4370 61.4393 35.7302 173.5914 5 Y 5.0585 8.8449 123.6603 56.0804 41.3131 174.6220 6 K 4.5467 8.4685 121.5666 54.4620 36.0167 174.8528 7 K 4.9497 8.4700 123.7888 54.6681 34.9840 175.8509 8 V 4.5583 8.8179 117.8750 59.5037 35.0911 174.1717 9 E 5.1084 8.7344 124.4234 54.7211 31.0207 174.9172 10 L 4.9134 8.9527 126.2294 52.8399 46.3800 175.9031 11 V 4.7119 8.3839 120.6930 61.2463 33.3476 175.0557 12 G 4.1666 8.8353 116.4469 45.6808 0.0000 171.7850 13 T 5.8057 7.9497 111.4997 59.0461 72.4057 172.8800 14 S 4.6432 8.2395 113.7029 58.0796 65.2527 175.7953 15 E 4.6748 9.0011 123.7943 57.0795 30.0920 177.8121 16 E 4.1397 8.4834 118.8395 57.4293 29.9900 176.7163 17 G 3.2531 7.2396 104.9474 44.2684 0.0000 173.1924 18 L 3.7524 7.2757 118.1181 57.8507 41.4352 179.4920 19 E 3.8744 8.0271 117.7072 59.4650 29.4548 179.1970 20 A 3.9377 7.8882 119.9647 54.9839 18.5384 179.4242 21 A 3.9311 7.8606 119.3859 55.2412 18.4536 179.9133 22 I 3.4767 7.7909 118.3606 64.6829 37.0968 178.6889 23 Q 3.8898 8.3148 118.9395 58.7897 28.4654 178.8353 24 A 3.9155 8.0984 121.6111 55.0476 18.3966 179.5702 25 A 3.8760 7.7627 118.7716 55.3232 18.5114 179.9236 26 L 3.8481 7.8466 117.3364 57.7254 41.4028 179.5946 27 A 3.9542 8.0230 120.3800 55.1068 18.7239 179.3874 28 R 3.9156 8.0022 117.0589 59.3838 30.1489 178.5092 29 A 3.8994 8.1023 120.7474 55.1539 18.1401 179.5592 30 R 3.8148 7.9198 116.9577 59.3402 29.8133 178.8364 31 K 4.0102 7.6555 117.7526 58.7235 32.1172 177.5245 32 T 4.5227 7.2153 101.9077 60.5743 70.0490 173.3362 33 L 4.5532 7.6149 121.6014 52.9925 44.3805 175.6165 34 R 4.5303 7.6156 118.0361 55.3770 33.7855 174.7646 35 H 4.1902 8.5311 113.2054 56.8071 26.2731 175.4225 36 L 4.5150 8.0861 118.3188 55.4077 42.2404 176.4114 37 D 5.2143 9.3100 123.5036 55.3355 43.3707 176.1825 38 W 5.4551 7.7565 113.2149 55.3182 31.8274 173.2451 39 F 5.3423 8.2801 114.0916 55.3523 41.0066 173.7496 40 E 4.7494 9.2944 118.7708 54.6770 33.4115 175.0066 41 V 4.2443 8.7359 125.0365 62.9849 31.7641 175.4460 42 K 4.4765 9.3693 127.7323 58.2900 33.3914 176.8284 43 E 4.8476 7.8795 116.6755 55.0765 34.3441 174.3679 44 I 5.0490 8.3149 122.5566 59.8525 40.3016 174.9454 45 R 4.5438 8.8064 123.4723 56.9854 32.9891 173.5449 46 G 4.2042 7.9525 105.6699 47.2137 0.0000 172.1689 47 T 4.7585 7.9821 109.9572 60.0315 71.7090 173.5636 48 I 4.8269 8.2335 122.6805 59.7060 39.9803 175.2237 49 G 4.2472 9.1968 114.7832 43.4507 0.0000 172.8777 50 E 3.9261 8.9048 117.2606 58.7304 29.3675 178.0603 51 A 4.7052 8.0837 119.8595 51.8282 20.5958 176.2916 52 G 4.0013 7.7259 107.5566 45.1554 0.0000 176.6326 53 V 3.6929 8.1916 124.8734 63.0036 31.6756 174.6184 54 K 4.2401 8.8841 129.5096 57.7836 33.2229 175.1295 55 E 4.6289 7.9592 119.4029 54.4014 32.8671 173.6689 56 Y 4.5731 9.1928 125.3731 57.6695 39.8232 174.5978 57 Q 4.9082 9.3774 122.3286 54.2435 32.6696 174.4172 58 V 4.6666 8.8633 125.4730 61.0317 33.9358 174.5464 59 V 4.6413 8.7936 129.8886 62.1791 32.6489 174.8283 60 L 5.2753 9.2987 127.4039 54.4479 44.6834 174.5068 61 E 5.0062 9.2426 119.7661 54.7752 32.0202 175.1709 62 V 4.4701 8.9986 124.7658 61.0346 34.0572 174.2822 63 G 2.9018 8.1104 116.0841 44.0626 0.0000 172.3925 64 F 5.6607 8.3500 118.5569 54.9866 41.9268 173.6119 65 R 4.1662 8.8795 121.5074 56.1149 30.5480 175.9121 66 L 4.6078 8.1719 126.2239 53.4105 43.0354 176.5450 67 E 4.0151 8.7012 122.7962 55.8681 30.3184 176.2798 68 E 4.0955 8.5907 126.5127 56.3767 30.4296 176.6758 69 T 4.2139 8.2279 114.8269 61.9097 69.0215 173.5115 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 G 8.35 3.94 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 0.00 0.00 0.00 3 K 8.61 3.85 0.00 1.84 1.47 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 4 V 8.64 4.55 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 1.08 0.00 0.00 0.92 0.00 0.00 5 Y 8.84 5.06 0.00 3.02 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 6 K 8.47 4.55 0.00 1.42 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.13 1.26 7.81 7 K 8.47 4.95 0.00 1.62 1.78 0.00 2.06 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 1.42 7.81 8 V 8.82 4.56 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 0.93 0.00 0.00 1.07 0.00 0.00 9 E 8.73 5.11 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 10 L 8.95 4.91 0.00 1.55 1.46 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.38 4.71 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 8.84 4.17 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 0.00 0.00 0.00 13 T 7.95 5.81 4.34 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 1.26 0.00 0.00 14 S 8.24 4.64 0.00 3.88 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 15 E 9.00 4.67 0.00 2.04 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 2.47 2.30 0.00 16 E 8.48 4.14 0.00 1.97 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 0.00 2.36 2.40 0.00 17 G 7.24 3.25 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 0.00 18 L 7.28 3.75 0.00 1.56 1.64 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.87 0.00 1.98 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 2.38 2.43 0.00 20 A 7.89 3.94 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 21 A 7.86 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.48 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.25 0.00 0.00 23 Q 8.31 3.89 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 A 8.10 3.92 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 25 A 7.76 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.85 0.00 1.73 1.65 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.02 3.95 1.30 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 0.00 0.00 0.00 28 R 8.00 3.92 0.00 1.92 2.03 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.10 3.90 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 30 R 7.92 3.81 0.00 2.01 2.07 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.66 4.01 0.00 1.97 1.82 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 32 T 7.22 4.52 4.17 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 1.16 0.00 0.00 33 L 7.61 4.55 0.00 1.39 0.79 0.40 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.62 4.53 0.00 1.62 1.43 0.00 3.42 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 35 H 8.53 4.19 0.00 3.63 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.52 0.00 1.67 1.66 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.21 0.00 3.12 3.07 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 38 W 7.76 5.46 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 39 F 8.28 5.34 0.00 3.03 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 40 E 9.29 4.75 0.00 1.99 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 0.00 2.39 2.57 0.00 41 V 8.74 4.24 2.18 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.37 4.48 0.00 1.74 1.87 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.59 7.81 43 E 7.88 4.85 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 2.32 2.37 0.00 44 I 8.31 5.05 1.92 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 1.45 0.65 1.00 0.00 0.00 45 R 8.81 4.54 0.00 1.81 2.03 0.00 2.99 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 46 G 7.95 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 0.00 0.00 0.00 0.00 47 T 7.98 4.76 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 1.18 0.00 0.00 48 I 8.23 4.83 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.88 0.00 0.00 49 G 9.20 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 0.00 0.00 0.00 0.00 50 E 8.90 3.93 0.00 1.96 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 2.31 2.31 0.00 51 A 8.08 4.71 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 52 G 7.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.69 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.66 0.00 0.00 54 K 8.88 4.24 0.00 1.91 1.79 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 E 7.96 4.63 0.00 1.99 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 56 Y 9.19 4.57 0.00 3.13 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 57 Q 9.38 4.91 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 58 V 8.86 4.67 2.07 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.79 4.64 2.19 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 0.94 0.00 0.00 1.01 0.00 0.00 60 L 9.30 5.28 0.00 1.95 1.75 0.90 0.58 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 61 E 9.24 5.01 0.00 1.92 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 2.28 2.42 0.00 62 V 9.00 4.47 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 0.93 0.00 0.00 0.91 0.00 0.00 63 G 8.11 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 0.00 0.00 0.00 64 F 8.35 5.66 0.00 3.37 3.03 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 65 R 8.88 4.17 0.00 2.07 1.89 0.00 3.07 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.00 66 L 8.17 4.61 0.00 1.59 1.55 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 4.02 0.00 1.97 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 2.30 2.32 0.00 68 E 8.59 4.10 0.00 1.93 1.82 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 2.28 2.27 0.00 69 T 8.23 4.21 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 1.27 0.00 0.00