NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3984 0.0000 0.0000 62.8328 32.4517 176.0951 2 N 4.5490 8.7379 118.9028 52.9843 38.5433 174.0014 3 R 4.5493 7.6120 117.1307 54.7190 32.0460 176.4442 4 S 4.5620 7.8681 119.6065 57.2701 62.2855 173.4146 5 I 4.3934 7.1265 113.4555 59.1690 40.0547 176.1254 6 S 4.3481 8.3429 116.7453 57.4465 63.0967 173.3880 7 P 4.2933 0.0000 0.0000 65.4189 31.2188 178.5334 8 S 4.1126 8.0908 111.6604 61.2495 62.2040 175.9967 9 A 3.9733 7.6481 122.3068 55.0080 18.1600 179.5928 10 L 3.9118 7.6709 117.4345 58.2020 41.6313 179.8427 11 Q 4.0124 8.4810 118.3496 59.0020 28.6617 178.4420 12 D 4.3036 8.1281 119.1436 57.0194 41.1722 177.9761 13 L 3.9285 8.1805 121.3958 57.9973 42.0305 178.8448 14 L 3.9450 7.9272 118.9034 57.8807 41.6303 179.5433 15 R 3.9032 7.6447 117.9190 59.8894 29.8511 179.3468 16 T 4.0146 7.4929 113.6464 66.5520 68.5083 176.7261 17 L 4.0754 8.0854 120.5440 57.5724 41.6709 179.3233 18 K 4.3887 7.8167 117.5615 57.2546 32.3436 176.9829 19 S 4.5437 7.4492 112.7540 56.3017 62.3542 171.9178 20 P 4.5785 0.0000 0.0000 62.9293 32.5707 176.0819 21 S 4.4836 7.6559 116.0479 56.0698 61.3883 173.1712 22 S 4.6158 7.0488 113.6759 55.9346 63.9381 175.9498 23 P 4.3361 0.0000 0.0000 65.5161 30.9995 178.9685 24 Q 4.2320 8.0321 116.6630 58.3005 28.6038 177.8660 25 Q 3.9206 7.7981 120.9338 59.4050 28.6508 178.5309 26 Q 3.9481 7.9435 118.2023 58.9387 28.7645 178.5336 27 Q 3.9573 7.4938 119.9207 59.3592 29.1483 178.2504 28 Q 3.9444 8.6391 119.3270 58.9270 28.8231 178.7574 29 V 3.5355 7.6632 119.2483 65.9842 31.6212 177.7875 30 L 4.0150 7.6092 119.4438 58.1813 41.6949 178.4920 31 N 4.3429 7.7917 115.9245 56.6995 39.2042 176.6864 32 I 3.8651 8.2040 121.7453 64.3241 36.6744 178.2805 33 L 4.0086 8.5220 120.2162 57.7852 41.1853 179.5468 34 K 4.0435 7.7524 118.5546 59.2173 32.1660 178.5244 35 S 4.3773 8.0320 113.1965 59.2925 63.8905 173.7048 36 N 5.0273 7.6963 118.8326 49.4156 36.8501 172.7054 37 P 4.4883 0.0000 0.0000 66.1161 31.4457 178.2834 38 Q 4.0496 8.0729 118.9273 59.1126 28.9821 178.0831 39 L 4.0728 8.0647 120.0848 57.6439 41.6712 178.9856 40 M 4.1399 7.9953 117.6562 58.5778 32.2619 177.8233 41 A 4.0075 8.6632 121.0663 55.1596 18.2901 179.5269 42 A 3.9465 7.5011 118.2949 55.2464 18.6761 179.3262 43 F 4.4809 8.3801 119.1868 61.6995 39.5032 177.4612 44 I 3.3391 8.1742 119.8685 64.0381 36.6128 178.3554 45 K 3.9490 7.9592 119.7134 59.2607 31.2580 178.2964 46 Q 4.1250 7.8510 117.2873 55.8111 28.8825 176.7293 47 R 3.6757 8.1710 118.1384 57.0145 27.8769 176.7717 48 T 3.6676 6.6371 114.0489 63.6425 67.6455 172.0020 49 A 4.4664 7.7511 123.5300 51.7022 20.8808 175.9982 50 K 4.1245 7.5774 117.0782 56.3020 33.1925 177.1796 51 Y 4.4837 8.0745 121.3758 57.0245 36.6128 175.4091 52 V 4.1698 7.9444 113.7617 60.9316 32.8019 176.9659 53 A 4.2717 7.7540 124.0962 51.8505 17.2296 179.1805 54 N 4.7868 7.7503 119.6330 51.5836 40.1217 172.5227 55 Q 4.6655 8.1963 126.7399 53.2888 31.4685 175.0423 56 P 4.5554 0.0000 0.0000 63.0297 30.2865 176.6796 57 G 4.1042 7.7437 103.2070 46.0497 0.0000 172.3935 58 M 4.3614 7.6753 119.6643 54.3387 33.0684 176.1870 59 Q 4.1953 8.4939 122.4053 56.2311 29.4489 175.0012 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 P 0.00 4.40 0.00 2.19 2.13 0.00 3.72 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 1.88 1.96 0.00 2 N 8.74 4.55 0.00 2.93 2.97 0.00 0.00 5.96 6.77 0.00 0.00 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 R 7.61 4.55 0.00 1.76 1.85 0.00 3.20 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 4 S 7.87 4.56 0.00 3.82 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 5 I 7.13 4.39 1.87 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 1.30 0.80 0.91 0.00 0.00 6 S 8.34 4.35 0.00 3.91 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 7 P 0.00 4.29 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 8 S 8.09 4.11 0.00 3.88 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 9 A 7.65 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.67 3.91 0.00 1.80 1.72 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.48 4.01 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 12 D 8.13 4.30 0.00 2.93 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 13 L 8.18 3.93 0.00 1.88 1.87 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.93 3.95 0.00 1.83 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.64 3.90 0.00 2.06 1.98 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 16 T 7.49 4.01 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 1.19 0.00 0.00 17 L 8.09 4.08 0.00 1.53 1.66 0.84 0.62 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 18 K 7.82 4.39 0.00 1.70 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.57 7.81 19 S 7.45 4.54 0.00 4.00 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 20 P 0.00 4.58 0.00 2.17 2.17 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 21 S 7.66 4.48 0.00 3.84 3.84 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 22 S 7.05 4.62 0.00 4.19 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 23 P 0.00 4.34 0.00 2.18 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 24 Q 8.03 4.23 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 25 Q 7.80 3.92 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 26 Q 7.94 3.95 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 27 Q 7.49 3.96 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 28 Q 8.64 3.94 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 29 V 7.66 3.54 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 0.92 0.00 0.00 30 L 7.61 4.02 0.00 1.91 1.67 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.79 4.34 0.00 2.82 2.94 0.00 0.00 7.29 9.21 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 32 I 8.20 3.87 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.90 0.00 0.00 33 L 8.52 4.01 0.00 1.91 1.78 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.75 4.04 0.00 1.90 2.03 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 35 S 8.03 4.38 0.00 3.92 4.01 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 36 N 7.70 5.03 0.00 2.90 2.91 0.00 0.00 6.18 7.75 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 37 P 0.00 4.49 0.00 2.29 2.37 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 38 Q 8.07 4.05 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 39 L 8.06 4.07 0.00 1.89 1.71 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.00 4.14 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 41 A 8.66 4.01 1.40 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 0.00 0.00 0.00 42 A 7.50 3.95 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 43 F 8.38 4.48 0.00 3.07 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 44 I 8.17 3.34 1.81 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 1.28 0.73 0.81 0.00 0.00 45 K 7.96 3.95 0.00 1.91 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 Q 7.85 4.13 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.19 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 47 R 8.17 3.68 0.00 1.88 1.86 0.00 3.54 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 48 T 6.64 3.67 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 1.36 0.00 0.00 49 A 7.75 4.47 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.12 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 51 Y 8.07 4.48 0.00 2.99 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 52 V 7.94 4.17 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 0.77 0.00 0.00 0.91 0.00 0.00 53 A 7.75 4.27 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 54 N 7.75 4.79 0.00 2.67 2.74 0.00 0.00 7.08 7.08 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 55 Q 8.20 4.67 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 56 P 0.00 4.56 0.00 2.22 2.11 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 57 G 7.74 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 58 M 7.68 4.36 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 59 Q 8.49 4.20 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00