NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2441 8.2649 123.5820 53.4838 20.0803 175.1198 3 R 4.2945 9.0956 124.0581 56.1640 27.4702 175.6830 4 K 4.1627 8.8110 123.6361 57.8185 31.6516 177.7594 5 A 4.3820 7.9791 115.1303 53.0155 17.7151 177.1332 6 L 4.6770 7.8680 117.9293 57.2224 41.5419 177.4033 7 I 4.5311 7.6436 116.0046 61.9962 37.1996 174.7131 8 E 4.4896 8.1705 118.7931 57.5115 31.8207 177.6220 9 K 4.4657 7.8154 117.9995 55.2655 32.7267 176.6772 10 A 4.2052 8.0913 119.1668 53.6325 18.2298 178.2567 11 K 4.4018 7.4980 113.8049 54.7517 33.8553 176.8582 12 R 4.1254 7.9369 112.5608 57.7319 29.5752 175.5664 13 T 3.3434 8.1162 114.7990 64.1297 64.9128 170.5412 14 P 4.3624 0.0000 0.0000 64.4528 31.9695 177.2396 15 K 4.3283 7.2680 118.0933 55.4624 34.4762 176.7616 16 F 4.3890 8.0310 123.3325 58.5116 39.9989 177.3938 17 K 3.5895 8.2035 122.6989 56.8719 34.5676 176.5365 18 V 3.5820 8.0755 117.0872 64.5845 32.0195 177.6581 19 R 4.3003 8.0696 116.2342 56.2276 29.7109 176.0545 20 A 4.3885 8.0927 122.4902 52.5115 19.0432 176.2733 21 Y 4.5856 8.1289 122.4603 57.5050 40.6225 174.9249 22 T 3.2969 8.0052 112.9193 63.0168 67.5403 170.8579 23 R 5.2930 7.6186 119.4558 56.0618 33.2855 174.2908 24 C 4.6627 9.0246 124.6497 59.3483 32.0178 174.2139 25 V 4.1444 8.1343 124.0082 62.1240 32.1639 177.1751 26 R 4.0706 7.8323 121.0574 58.5829 30.2023 176.4391 27 C 4.5948 7.6021 108.5982 56.2121 31.1419 170.0556 28 G 4.1862 9.5397 116.9624 45.4718 0.0000 172.9222 29 R 4.5943 8.2192 123.1707 55.1677 33.0462 174.7695 30 A 4.7917 8.5368 124.6258 51.9921 20.8083 176.9797 31 R 4.4815 8.0899 115.0500 56.2045 29.4487 176.1151 32 S 4.6962 8.3683 108.8133 58.3995 66.8693 175.4019 33 V 4.0165 7.5819 113.0251 61.3437 31.3182 173.7287 34 Y 3.9060 9.0998 130.7803 58.8722 38.6075 175.8113 35 R 4.0105 9.1713 126.1068 56.9887 34.7747 174.5882 36 F 4.9483 6.5780 116.2582 57.6869 38.5840 176.8584 37 F 5.0717 8.6601 119.3982 59.9292 42.7653 175.7149 38 G 3.8801 9.5027 105.7124 45.7140 0.0000 170.9974 39 L 4.7646 7.3285 117.6453 52.8746 45.6834 174.5098 40 C 4.9382 8.7394 116.9290 56.1987 31.7777 174.4797 41 R 3.9831 8.3100 123.2248 59.0555 28.5843 178.6184 42 I 3.7096 7.6512 119.5136 64.2012 38.0459 177.3134 43 C 4.1372 7.9344 114.9495 61.2523 29.4209 175.6462 44 L 3.8663 8.3454 121.9821 56.9557 40.9491 179.4069 45 R 3.9147 7.9475 116.3119 58.6567 29.8958 178.5665 46 E 3.7133 7.7645 119.2850 59.3020 29.0795 179.3753 47 L 4.1744 7.6515 117.9554 56.7114 41.5405 179.4331 48 A 3.9977 7.3323 121.4322 55.4468 18.2501 179.3647 49 H 4.2274 7.6830 111.8397 58.1432 28.6432 177.2121 50 K 4.1520 7.5162 120.7731 57.7258 32.1043 177.5192 51 G 3.9905 8.3148 106.6973 44.7219 0.0000 173.7142 52 Q 4.0323 7.4382 119.9337 59.0086 29.1108 177.7279 53 L 4.1788 7.7241 117.1443 53.2959 42.2705 174.8557 54 P 4.2146 0.0000 0.0000 64.5540 32.6720 175.7772 55 G 3.7589 9.2710 111.8310 45.5288 0.0000 175.8073 56 V 3.2631 8.7387 117.4279 61.6441 29.0076 170.8386 57 R 4.5775 7.7287 125.3993 54.3457 32.3423 175.3788 58 K 3.7488 8.4894 123.5709 57.2481 32.9557 176.6189 59 A 4.9738 8.5198 128.4992 50.7816 18.6988 175.8016 60 S 4.5031 7.8236 115.7033 55.6769 64.9895 175.2441 61 W 4.6590 7.6959 121.5893 56.8166 27.4267 174.1886 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 A 8.26 4.24 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 3 R 9.10 4.29 0.00 1.96 2.43 0.00 3.35 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 4 K 8.81 4.16 0.00 2.03 1.95 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 A 7.98 4.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.68 0.00 1.76 1.80 0.93 1.24 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 7 I 7.64 4.53 1.88 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 1.70 0.93 0.91 0.00 0.00 8 E 8.17 4.49 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 9 K 7.82 4.47 0.00 1.73 1.69 0.00 1.19 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.19 7.81 10 A 8.09 4.21 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 11 K 7.50 4.40 0.00 1.66 1.74 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 12 R 7.94 4.13 0.00 2.00 2.03 0.00 3.46 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 13 T 8.12 3.34 4.19 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 0.00 0.00 0.00 1.08 0.00 0.00 14 P 0.00 4.36 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 15 K 7.27 4.33 0.00 1.75 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.60 7.81 16 F 8.03 4.39 0.00 3.08 2.76 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 17 K 8.20 3.59 0.00 2.05 1.97 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.50 7.81 18 V 8.08 3.58 2.10 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 0.73 0.00 0.00 1.05 0.00 0.00 19 R 8.07 4.30 0.00 1.90 2.05 0.00 3.35 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 20 A 8.09 4.39 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.59 0.00 3.08 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 22 T 8.01 3.30 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 1.20 0.00 0.00 23 R 7.62 5.29 0.00 1.69 1.68 0.00 3.32 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 24 C 9.02 4.66 0.00 3.07 2.87 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 25 V 8.13 4.14 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 0.72 0.00 0.00 0.92 0.00 0.00 26 R 7.83 4.07 0.00 1.73 1.93 0.00 3.31 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 27 C 7.60 4.59 0.00 3.05 2.95 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 28 G 9.54 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.22 4.59 0.00 1.87 1.74 0.00 3.19 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 30 A 8.54 4.79 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 31 R 8.09 4.48 0.00 1.78 1.94 0.00 3.33 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 32 S 8.37 4.70 0.00 3.86 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 33 V 7.58 4.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.07 0.00 0.00 34 Y 9.10 3.91 0.00 2.95 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.17 4.01 0.00 0.67 1.10 0.00 3.29 0.00 0.00 3.28 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.09 0.00 36 F 6.58 4.95 0.00 3.07 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 37 F 8.66 5.07 0.00 3.02 2.82 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 0.00 0.00 0.00 38 G 9.50 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 39 L 7.33 4.76 0.00 1.65 1.51 0.66 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.74 4.94 0.00 3.12 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 41 R 8.31 3.98 0.00 2.15 2.55 0.00 2.96 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 42 I 7.65 3.71 1.87 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 1.69 1.59 0.90 0.00 0.00 43 C 7.93 4.14 0.00 3.12 3.13 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 44 L 8.35 3.87 0.00 1.68 1.64 0.87 0.13 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 45 R 7.95 3.91 0.00 2.02 2.35 0.00 2.76 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 46 E 7.76 3.71 0.00 1.87 1.97 0.00 0.00 0.00 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 2.44 0.00 47 L 7.65 4.17 0.00 1.51 1.64 0.89 0.86 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 48 A 7.33 4.00 1.42 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 0.00 0.00 0.00 49 H 7.68 4.23 0.00 3.23 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.52 4.15 0.00 1.89 2.08 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 51 G 8.31 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.44 4.03 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 53 L 7.72 4.18 0.00 1.71 1.64 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.20 2.12 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 55 G 9.27 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 0.00 0.00 0.00 56 V 8.74 3.26 2.12 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 0.76 0.00 0.00 0.98 0.00 0.00 57 R 7.73 4.58 0.00 1.80 1.87 0.00 3.30 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 58 K 8.49 3.75 0.00 1.78 1.80 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.45 7.81 59 A 8.52 4.97 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 60 S 7.82 4.50 0.00 3.93 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 61 W 7.70 4.66 0.00 3.54 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