NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 R 4.2626 8.2393 119.7061 55.5887 32.3271 174.7823 53 N 4.0153 7.4365 113.2332 50.8294 39.0708 173.2117 54 D 4.3130 8.6226 119.2014 57.6214 41.4808 180.0993 55 A 3.9870 8.0725 120.7295 55.0830 18.2724 179.1058 56 E 3.8382 8.3736 118.0210 59.5927 29.6909 178.9796 57 R 3.9701 8.0430 116.5245 59.5357 30.2399 178.5714 58 L 4.0745 8.2173 118.7546 57.5034 41.7603 178.9302 59 A 3.9353 7.9800 120.3264 55.5667 18.2753 179.3326 60 D 4.5631 7.9825 117.6732 57.1365 41.2249 178.3529 61 E 4.4092 8.2625 120.5913 58.7835 29.3181 179.5147 62 Q 3.9880 7.9813 118.0900 58.9334 28.9995 177.9656 63 S 4.1425 8.0818 115.4568 61.7975 62.6617 176.1656 64 E 3.9443 8.1197 121.3879 58.8260 28.9331 179.2785 65 L 3.9920 7.6311 119.6124 57.6679 41.7031 179.7435 66 V 3.6267 8.4448 118.5308 65.5451 31.2985 177.8647 67 K 3.9240 8.8725 120.3488 59.5979 31.7960 178.7957 68 K 3.7478 8.2117 118.6452 59.7358 31.5412 179.1309 69 M 4.0593 7.7795 118.4825 58.8393 32.3305 178.5887 70 V 3.7082 8.2876 118.5438 65.3398 31.4199 177.7463 71 F 4.4104 9.0193 121.8297 61.4681 39.3358 176.5818 72 D 3.9480 7.8094 117.2204 57.4078 40.9025 177.8885 73 T 3.8242 7.5376 115.7601 66.9849 68.5083 176.0910 74 L 4.0317 7.9765 120.4142 57.8757 41.6879 179.4973 75 K 3.7667 7.5097 119.1779 59.9385 32.0724 178.5993 76 D 4.3917 7.9280 118.3440 57.0801 40.4513 178.6002 77 L 3.9805 7.9285 119.2092 58.3114 41.9984 178.9495 78 Y 4.0174 8.4413 116.3316 60.2835 37.6257 177.6859 79 K 3.8613 7.8809 120.3020 59.6916 32.2799 178.2520 80 K 4.3239 7.6515 118.0376 58.5584 32.2843 176.4288 81 T 4.3277 7.7261 113.6432 61.1974 68.4732 173.0839 82 T 4.2883 8.2348 122.3854 62.1384 67.7494 173.4223 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 52 R 8.24 4.26 0.00 2.04 2.06 0.00 3.41 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 53 N 7.44 4.02 0.00 2.95 2.91 0.00 0.00 6.39 7.19 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 54 D 8.62 4.31 0.00 2.70 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 55 A 8.07 3.99 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 56 E 8.37 3.84 0.00 2.04 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 0.00 2.30 2.34 0.00 57 R 8.04 3.97 0.00 1.81 2.00 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 58 L 8.22 4.07 0.00 1.93 1.68 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.98 3.94 1.38 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 0.00 0.00 0.00 60 D 7.98 4.56 0.00 2.83 2.85 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 61 E 8.26 4.41 0.00 2.17 1.98 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 2.33 2.35 0.00 62 Q 7.98 3.99 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 63 S 8.08 4.14 0.00 4.05 4.13 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 64 E 8.12 3.94 0.00 2.22 2.27 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 2.50 2.36 0.00 65 L 7.63 3.99 0.00 1.87 1.77 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.44 3.63 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 1.16 0.00 0.00 0.97 0.00 0.00 67 K 8.87 3.92 0.00 1.93 1.94 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 68 K 8.21 3.75 0.00 1.90 1.95 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.70 7.81 69 M 7.78 4.06 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 70 V 8.29 3.71 2.15 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 0.99 0.00 0.00 1.00 0.00 0.00 71 F 9.02 4.41 0.00 3.14 3.27 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 72 D 7.81 3.95 0.00 2.76 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 73 T 7.54 3.82 4.42 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 1.23 0.00 0.00 74 L 7.98 4.03 0.00 1.89 1.84 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.51 3.77 0.00 1.67 1.73 0.00 1.39 0.00 0.00 1.09 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 76 D 7.93 4.39 0.00 2.86 2.69 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 0.00 0.00 0.00 77 L 7.93 3.98 0.00 1.84 1.75 0.97 1.09 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 78 Y 8.44 4.02 0.00 3.03 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 79 K 7.88 3.86 0.00 2.01 1.94 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 80 K 7.65 4.32 0.00 1.77 1.79 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 81 T 7.73 4.33 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 1.09 0.00 0.00 82 T 8.23 4.29 4.50 0.00 0.00 0.00 0.00 0.00 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