NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8512 8.3544 109.7242 45.3166 0.0000 172.6603 2 S 4.4148 7.7215 110.1911 57.4001 64.7534 174.3717 3 S 4.6404 8.7100 122.4186 59.0092 66.7779 175.2317 4 G 4.1038 7.8449 110.1260 45.2868 0.0000 172.7437 5 S 4.4910 7.8596 109.4222 57.6014 64.7468 176.5664 6 S 4.3354 8.7942 118.8008 58.3420 62.9178 174.3861 7 G 3.9205 7.9157 110.9858 44.4449 0.0000 171.4529 8 P 4.4104 0.0000 0.0000 61.9611 32.7514 174.4886 9 R 3.8616 8.4394 122.0609 55.7819 29.5148 176.3017 10 S 4.4387 7.6399 112.1213 57.4442 65.5319 174.1322 11 R 4.2194 8.1284 119.0211 56.2062 31.9050 172.9039 12 T 4.6927 8.2961 118.8060 60.8718 70.6074 174.0499 13 K 4.4016 8.1004 123.7031 55.0898 33.5835 174.0578 14 I 4.3040 7.6819 122.5456 59.2027 38.7833 175.8780 15 S 4.1716 8.6288 122.4856 60.4563 62.5618 175.7554 16 L 5.2365 7.9197 128.6223 55.3750 39.8737 174.8929 17 E 3.4405 7.3725 113.1907 59.5212 29.4910 179.9501 18 A 3.8542 7.8170 121.7325 55.3705 19.6953 178.8644 19 L 3.8609 8.1335 118.0807 58.4550 41.7853 179.0663 20 G 3.8684 8.8003 105.9453 49.0359 0.0000 174.5082 21 I 3.4808 8.4971 121.2737 64.4435 37.0045 177.6524 22 L 4.0587 8.3539 120.7512 59.6317 40.3694 179.4682 23 Q 3.9919 8.6955 120.3102 59.1833 28.8030 178.4617 24 S 4.1534 8.6068 114.3649 61.4980 62.3752 175.9892 25 F 4.2073 8.2879 122.7496 61.0857 39.1215 177.1247 26 I 3.9067 8.1871 119.9239 64.6131 36.8107 177.4533 27 H 4.5438 8.2086 116.4954 57.7807 29.7595 176.2535 28 D 4.5410 7.3652 119.6590 57.2767 41.3912 178.7393 29 V 3.6623 7.7878 112.4266 63.4460 32.0499 174.6431 30 G 4.2407 7.2742 105.0473 44.2605 0.0000 175.3034 31 L 4.8453 8.6530 121.3866 53.3500 42.9323 176.8900 32 Y 4.7679 7.5348 113.5976 56.2219 39.5472 173.2761 33 P 4.5837 0.0000 0.0000 62.5068 33.0285 177.3010 34 D 4.8566 8.4142 120.5846 52.9273 44.1060 177.6019 35 Q 4.1520 8.6562 120.4855 59.3147 28.5946 179.8056 36 E 3.9656 8.1268 119.5113 59.0779 29.8532 178.2462 37 A 4.0262 7.8977 120.3113 55.2908 18.4693 179.4391 38 I 3.5467 8.1896 118.6443 64.7553 37.2088 178.0243 39 H 4.1401 7.9437 118.5540 59.7817 29.5551 177.4636 40 T 3.9337 7.9850 117.4364 66.5246 68.3132 176.8278 41 L 3.7849 7.9813 121.2472 57.6535 41.6847 179.1435 42 S 4.8212 9.2236 113.7846 60.0978 62.2923 174.5872 43 A 4.3278 7.6876 122.6104 53.5163 19.2211 178.4128 44 Q 3.8628 8.7042 118.9788 58.9743 29.3979 178.9733 45 L 4.1766 7.6584 115.1250 55.0362 42.2219 177.0309 46 D 5.2573 7.8642 115.2990 55.6331 40.1766 173.6942 47 L 4.5615 7.4819 116.8328 52.1263 43.6402 174.3306 48 P 4.7070 0.0000 0.0000 62.2252 33.3462 177.6590 49 K 3.9109 8.3258 118.5148 59.8700 31.6941 178.9367 50 H 4.2191 8.1421 114.9243 59.5047 27.9780 176.8744 51 T 3.9041 7.7319 117.8788 66.3741 68.2513 176.0759 52 I 3.9017 7.9382 121.1151 64.8623 37.2164 178.2681 53 I 3.7544 8.7226 121.4244 64.9991 36.7551 177.9357 54 K 3.7852 9.2919 118.1264 59.8754 32.2459 178.4855 55 F 4.4465 8.9567 120.4118 61.8192 39.4574 177.6727 56 F 3.3658 8.3070 117.1314 60.8546 38.7808 177.5901 57 Q 3.9790 8.5054 117.6489 59.2913 28.4760 179.3317 58 N 4.2656 8.1886 117.6261 56.8926 38.9589 176.7043 59 Q 4.0598 8.2306 119.6272 59.1728 28.5798 179.2675 60 R 3.8583 7.9250 116.9588 59.4788 30.3288 177.6218 61 Y 4.3096 8.3536 118.2859 61.6651 38.7155 177.9081 62 H 4.3099 8.3348 115.6471 57.4665 29.0320 175.8482 63 V 3.5585 7.4477 119.8514 63.8036 31.6339 174.2942 64 K 4.6725 8.3656 127.4778 58.2364 39.3647 176.2345 65 H 4.1126 8.1839 115.1139 58.8541 28.9359 175.5466 66 S 4.4252 7.9904 113.1014 57.7134 63.4030 173.3918 67 G 4.3492 8.2687 118.6170 44.1153 0.0000 169.7178 68 P 4.3637 0.0000 0.0000 62.3532 32.4929 174.2158 69 S 3.4791 8.6032 116.5162 58.1844 59.9382 172.3107 70 S 4.0072 8.4385 118.7565 59.9041 62.6431 174.5975 71 G 4.0223 8.7409 113.5571 45.7938 0.0000 173.2002 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 1 G 8.35 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.72 4.41 0.00 3.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.64 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.84 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 5 S 7.86 4.49 0.00 3.93 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 6 S 8.79 4.34 0.00 3.86 3.80 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 7 G 7.92 3.92 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 0.00 0.00 0.00 8 P 0.00 4.41 0.00 2.17 2.08 0.00 3.92 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 1.97 1.97 0.00 9 R 8.44 3.86 0.00 1.97 1.95 0.00 3.23 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 S 7.64 4.44 0.00 3.92 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 11 R 8.13 4.22 0.00 1.72 1.81 0.00 3.35 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 12 T 8.30 4.69 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 1.05 0.00 0.00 13 K 8.10 4.40 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.37 7.81 14 I 7.68 4.30 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 0.86 0.00 0.00 15 S 8.63 4.17 0.00 3.82 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 16 L 7.92 5.24 0.00 1.79 1.66 0.90 0.95 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 17 E 7.37 3.44 0.00 2.08 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 2.41 2.49 0.00 18 A 7.82 3.85 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 19 L 8.13 3.86 0.00 1.59 1.83 0.67 0.68 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 20 G 8.80 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 0.00 0.00 0.00 21 I 8.50 3.48 2.10 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 1.60 0.60 0.94 0.00 0.00 22 L 8.35 4.06 0.00 1.89 1.98 0.67 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.70 3.99 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 24 S 8.61 4.15 0.00 3.94 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 25 F 8.29 4.21 0.00 3.19 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 26 I 8.19 3.91 2.12 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.88 1.00 0.00 0.00 27 H 8.21 4.54 0.00 3.30 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.37 4.54 0.00 2.66 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 29 V 7.79 3.66 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 -0.53 0.00 0.00 0.48 0.00 0.00 30 G 7.27 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 31 L 8.65 4.85 0.00 1.10 1.31 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.53 4.77 0.00 2.87 2.79 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 33 P 0.00 4.58 0.00 1.86 1.94 0.00 3.39 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.00 34 D 8.41 4.86 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.15 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 36 E 8.13 3.97 0.00 2.07 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 2.43 2.41 0.00 37 A 7.90 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 3.55 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.88 0.00 0.00 39 H 7.94 4.14 0.00 3.48 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.99 3.93 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 1.22 0.00 0.00 41 L 7.98 3.78 0.00 1.79 1.69 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.22 4.82 0.00 3.82 4.08 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 43 A 7.69 4.33 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 44 Q 8.70 3.86 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 45 L 7.66 4.18 0.00 1.77 1.70 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.86 5.26 0.00 2.82 2.83 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 47 L 7.48 4.56 0.00 1.74 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.71 0.00 1.57 2.07 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 49 K 8.33 3.91 0.00 1.81 1.88 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.45 7.81 50 H 8.14 4.22 0.00 3.37 3.59 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.73 3.90 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 1.23 0.00 0.00 52 I 7.94 3.90 2.05 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 1.58 0.67 1.13 0.00 0.00 53 I 8.72 3.75 2.09 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 1.48 0.85 0.92 0.00 0.00 54 K 9.29 3.79 0.00 2.08 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.56 7.81 55 F 8.96 4.45 0.00 2.95 3.31 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 56 F 8.31 3.37 0.00 3.24 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 57 Q 8.51 3.98 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 58 N 8.19 4.27 0.00 2.85 3.11 0.00 0.00 7.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.23 4.06 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 60 R 7.93 3.86 0.00 1.93 2.01 0.00 3.11 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 61 Y 8.35 4.31 0.00 2.87 3.24 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 62 H 8.33 4.31 0.00 3.47 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.45 3.56 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 0.72 0.00 0.00 1.00 0.00 0.00 64 K 8.37 4.67 0.00 1.81 1.62 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.39 7.81 65 H 8.18 4.11 0.00 3.16 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.99 4.43 0.00 3.85 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 67 G 8.27 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.20 2.13 0.00 3.95 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 2.00 2.03 0.00 69 S 8.60 3.48 0.00 4.02 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 70 S 8.44 4.01 0.00 3.82 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 71 G 8.74 4.02 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 0.00 0.00 0.00