NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2645 8.1133 117.2715 56.3206 30.8690 175.4464 11 T 3.5619 8.3542 112.9039 65.7164 68.3232 174.2541 12 G 3.8767 7.5733 107.8446 47.6842 0.0000 175.2353 13 R 4.0964 7.7016 116.3078 58.3199 29.7078 177.6826 14 F 5.1447 8.4771 118.3163 57.5316 39.4540 176.5452 15 G 3.7511 8.3214 108.4590 46.7226 0.0000 172.7535 16 P 4.7366 0.0000 0.0000 62.4030 31.8185 175.8508 17 R 3.8809 7.6370 118.6638 56.8330 30.8178 177.7544 18 Y 3.7013 8.1883 115.5262 57.6815 36.8694 171.2354 19 G 4.0187 7.7374 105.0873 44.4372 0.0000 173.2235 20 L 3.8570 8.1118 116.1164 57.6968 41.9830 180.1801 21 K 4.0145 8.4941 119.7403 60.6131 32.6343 177.8059 22 I 3.6335 8.0567 119.0211 65.3380 36.9119 178.3836 23 R 4.2492 8.2195 117.9883 58.7145 29.4938 179.0265 24 V 3.5901 8.1492 119.4150 66.1475 31.5344 178.2757 25 R 4.0263 8.1709 117.4099 58.6248 29.7462 179.2396 26 V 3.4596 7.5281 118.3379 66.0182 31.5509 177.3951 27 A 3.9661 8.3505 120.6066 56.3061 18.2329 178.7916 28 D 4.0161 8.4935 112.5920 57.5319 40.8309 179.6990 29 V 3.4938 7.8208 119.0743 66.7859 32.0266 178.5540 30 E 4.0914 8.6003 118.4258 59.0254 29.0250 179.1287 31 I 3.9282 8.2881 119.1538 64.0851 38.4348 177.5508 32 K 4.0836 8.0218 119.3043 59.8556 31.7162 178.3532 33 H 4.9999 8.2019 118.6028 58.7059 29.7868 176.4419 34 K 4.5459 8.5511 117.8080 55.5363 32.2622 176.9110 35 K 4.2849 7.4859 120.1296 55.6515 32.8414 176.4835 36 K 4.2352 8.1916 119.5583 56.4019 32.9291 176.3663 37 H 5.0012 8.4622 119.7406 53.7692 32.2205 173.3453 38 K 4.3921 8.6669 122.3036 55.6890 32.2289 176.3346 39 C 3.9850 8.8759 126.5410 59.6982 31.3593 172.4617 40 P 4.3615 0.0000 0.0000 65.5851 30.9528 177.8304 41 V 3.5153 7.1683 117.4806 65.1670 32.2575 177.7135 42 C 4.5674 7.5280 118.5203 57.8014 31.6629 173.7159 43 G 4.2425 8.6463 107.8362 46.2473 0.0000 173.1108 44 F 4.0861 8.3486 119.7454 56.8347 40.3019 175.5818 45 K 4.4977 8.0727 123.0346 54.8097 30.0725 176.8952 46 K 4.8574 7.7478 123.7723 55.9554 33.9331 175.9960 47 L 5.3619 8.1213 119.3825 53.4307 43.7230 177.0453 48 K 4.9524 9.0985 121.2297 54.4602 36.9829 175.9718 49 R 3.4179 8.7732 123.7713 56.2461 30.5204 176.1480 50 A 4.2331 9.5118 128.2530 54.1675 20.1734 177.0686 51 G 3.7465 6.7226 102.3925 45.8206 0.0000 172.2796 52 T 3.4257 8.4661 119.2455 64.8821 67.7003 173.7066 53 G 4.4031 8.4913 114.4162 46.6926 0.0000 170.8435 54 I 4.7607 7.1258 120.2706 58.8792 40.1225 174.8205 55 W 5.2617 9.0125 125.9623 55.2702 33.2832 174.1210 56 M 5.8680 8.8756 120.6532 54.1159 36.0593 173.5184 57 C 5.0375 8.8836 125.2000 58.0898 32.3080 174.2888 58 G 3.7821 9.5615 116.5061 47.5166 0.0000 172.5683 59 H 4.5551 7.8652 118.9258 57.6254 30.7355 175.4035 60 C 4.1835 7.9993 113.6980 58.3703 30.3768 174.6505 61 G 3.9456 8.5184 109.0282 45.3240 0.0000 172.9012 62 Y 4.4215 7.8964 121.4612 57.5053 40.1269 174.5168 63 K 4.9583 8.3051 127.5573 54.7293 34.1028 174.9394 64 I 4.2702 8.8476 121.2586 59.0572 40.9901 174.7005 65 A 4.7081 8.5432 125.1937 50.9263 19.4154 175.9075 66 G 4.4372 7.9636 113.8558 45.4910 0.0000 171.0779 67 G 4.1211 8.2618 110.5101 45.5463 0.0000 173.2306 68 C 4.0522 8.7481 115.5028 61.7182 28.9335 174.2783 69 Y 5.1266 7.9518 113.6221 57.5903 39.0341 174.7160 70 Q 4.7107 8.1113 118.4962 53.6994 32.9900 173.9816 71 P 2.9700 0.0000 0.0000 64.0602 31.7406 176.0834 72 E 4.5828 7.5751 117.5782 54.2944 32.5089 174.9889 73 T 4.5948 8.0789 112.9060 59.5776 71.2399 175.3526 74 V 3.5127 8.5970 123.0171 66.7026 31.1706 178.3461 75 A 4.2699 7.9931 118.2656 54.6479 18.5189 179.3225 76 G 3.6799 8.4461 105.1728 47.9025 0.0000 176.1876 77 K 4.0087 8.0080 120.1086 59.0726 31.7755 179.0826 78 A 4.0472 7.6439 119.5821 54.6530 17.9287 179.9838 79 V 3.3962 7.2012 116.6816 66.3671 31.7222 176.8993 80 M 4.1384 7.3685 116.5790 58.4412 32.5163 177.9174 81 K 3.6095 8.4715 113.3784 58.8106 31.8156 176.7847 82 A 4.1728 5.8000 129.0462 52.4990 17.9564 178.2109 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 10 R 8.11 4.26 0.00 1.98 2.16 0.00 2.94 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.35 3.56 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 1.31 0.00 0.00 12 G 7.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.70 4.10 0.00 1.90 1.96 0.00 2.83 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.00 14 F 8.48 5.14 0.00 3.39 3.29 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 15 G 8.32 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.74 0.00 2.14 2.12 0.00 3.73 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 1.84 1.93 0.00 17 R 7.64 3.88 0.00 1.01 0.66 0.00 2.87 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 18 Y 8.19 3.70 0.00 3.02 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 19 G 7.74 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 20 L 8.11 3.86 0.00 1.73 1.58 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.49 4.01 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 22 I 8.06 3.63 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 1.67 1.28 0.83 0.00 0.00 23 R 8.22 4.25 0.00 2.23 2.59 0.00 3.30 0.00 0.00 3.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.60 0.00 24 V 8.15 3.59 2.30 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 1.03 0.00 0.00 0.97 0.00 0.00 25 R 8.17 4.03 0.00 2.03 1.92 0.00 3.16 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 26 V 7.53 3.46 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 1.15 0.00 0.00 1.14 0.00 0.00 27 A 8.35 3.97 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 28 D 8.49 4.02 0.00 3.02 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.49 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 0.67 0.00 0.00 0.82 0.00 0.00 30 E 8.60 4.09 0.00 2.16 2.03 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 2.31 2.57 0.00 31 I 8.29 3.93 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 1.54 0.76 0.95 0.00 0.00 32 K 8.02 4.08 0.00 2.09 1.95 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 33 H 8.20 5.00 0.00 3.46 3.69 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.55 4.55 0.00 1.71 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 35 K 7.49 4.28 0.00 1.87 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.70 7.81 36 K 8.19 4.24 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 H 8.46 5.00 0.00 3.05 3.05 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.67 4.39 0.00 1.63 1.77 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.42 7.81 39 C 8.88 3.98 0.00 3.08 3.04 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 0.00 0.00 0.00 40 P 0.00 4.36 0.00 2.28 2.17 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 41 V 7.17 3.52 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.33 0.00 0.00 42 C 7.53 4.57 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 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 44 F 8.35 4.09 0.00 3.01 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 45 K 8.07 4.50 0.00 1.56 1.74 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.31 7.81 46 K 7.75 4.86 0.00 1.80 1.84 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.73 7.81 47 L 8.12 5.36 0.00 1.75 1.78 0.96 0.96 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 48 K 9.10 4.95 0.00 1.73 1.68 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 49 R 8.77 3.42 0.00 0.82 1.38 0.00 2.95 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 50 A 9.51 4.23 1.20 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 51 G 6.72 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.47 3.43 4.14 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 0.00 0.00 0.00 1.07 0.00 0.00 53 G 8.49 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 0.00 0.00 0.00 0.00 54 I 7.13 4.76 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.82 0.00 0.00 55 W 9.01 5.26 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.88 5.87 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 57 C 8.88 5.04 0.00 3.22 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 58 G 9.56 3.78 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 0.00 0.00 0.00 59 H 7.87 4.56 0.00 3.08 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.00 4.18 0.00 3.10 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 61 G 8.52 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 0.00 0.00 0.00 62 Y 7.90 4.42 0.00 3.00 2.93 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 0.00 0.00 0.00 63 K 8.31 4.96 0.00 1.69 1.53 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.35 7.81 64 I 8.85 4.27 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.89 0.00 0.00 65 A 8.54 4.71 1.25 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 66 G 7.96 4.44 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 0.00 67 G 8.26 4.12 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 0.00 0.00 0.00 68 C 8.75 4.05 0.00 2.70 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.95 5.13 0.00 3.12 2.91 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 0.00 0.00 0.00 70 Q 8.11 4.71 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 71 P 0.00 2.97 0.00 1.62 0.88 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 72 E 7.58 4.58 0.00 1.81 1.79 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 2.08 2.08 0.00 73 T 8.08 4.59 4.26 0.00 0.00 0.00 0.00 0.00 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 74 V 8.60 3.51 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.99 4.27 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 76 G 8.45 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.01 4.01 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.64 7.81 78 A 7.64 4.05 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 79 V 7.20 3.40 2.24 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 0.87 0.00 0.00 0.99 0.00 0.00 80 M 7.37 4.14 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 81 K 8.47 3.61 0.00 1.87 1.66 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 82 A 5.80 4.17 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