NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4880 0.0000 0.0000 62.3880 33.6121 175.0475 2 I 4.7311 8.2596 122.9743 59.2036 40.3157 172.8566 3 A 4.7363 9.2101 130.1134 50.0014 22.0267 174.5736 4 Q 4.8329 8.7164 123.2222 54.4957 31.2397 174.4076 5 I 4.4364 8.6848 128.4263 60.0435 39.5745 174.5886 6 H 5.2270 8.8193 124.1414 54.1974 30.0799 174.0449 7 I 4.5938 8.4571 117.0388 58.5034 41.0547 175.0555 8 L 4.6220 8.3119 123.5309 54.3234 42.1900 176.9017 9 E 4.0042 9.1604 121.5355 57.2068 30.1559 176.5098 10 G 3.4266 8.7697 112.5907 45.6633 0.0000 174.3718 11 R 4.3350 7.5378 119.7140 55.5247 31.2309 176.5527 12 S 4.5652 8.4463 115.1677 57.6256 65.5958 175.1667 13 D 4.3433 8.4458 121.6958 57.6213 40.5369 178.9060 14 E 3.9712 8.1280 118.5815 59.5128 29.5086 179.2805 15 Q 4.0120 7.9510 117.7196 58.8657 28.7941 178.8125 16 K 4.1020 8.0916 119.2525 58.8359 32.0757 179.0197 17 E 3.9983 8.2839 120.0544 59.2105 29.5039 179.0315 18 T 3.8654 7.9244 116.0877 66.3388 68.5783 176.3510 19 L 3.9186 7.8644 122.2634 58.4825 41.9518 179.1403 20 I 3.6981 7.8083 119.4947 64.2299 36.9799 178.5494 21 R 3.8848 7.7510 119.2410 59.4035 29.9986 178.1871 22 E 3.8918 8.5579 118.7055 59.6650 29.5669 179.5525 23 V 3.5960 7.9204 117.9998 66.2413 31.6057 178.2559 24 S 4.1510 7.8800 115.0365 61.4949 62.5760 176.5804 25 E 3.9512 8.2494 121.1092 59.2896 29.4103 178.9257 26 A 4.0330 8.1198 120.8492 55.3322 18.3571 179.9006 27 I 3.6519 7.7466 118.0496 64.4599 37.2819 178.2432 28 S 4.1909 7.8914 114.0208 61.7372 62.3145 176.6320 29 R 4.0049 8.4316 118.8757 59.2770 29.0370 178.8821 30 S 4.2293 7.9528 115.0236 60.4378 62.9170 175.4713 31 L 4.5256 7.7668 118.3141 53.1042 42.4215 175.5909 32 D 4.3244 7.4606 116.3278 55.1429 40.2107 172.8620 33 A 4.7320 7.7236 119.0283 48.9394 21.2074 176.0138 34 P 4.3002 0.0000 0.0000 62.5601 32.0385 176.9999 35 L 3.9384 8.8762 125.0442 58.3812 42.0025 178.9511 36 T 4.0057 7.9066 107.1844 63.7870 68.7112 174.8701 37 S 4.4039 8.0464 116.2451 59.3281 63.8581 174.7098 38 V 4.0003 7.4476 122.1902 62.9396 32.0237 175.5251 39 R 4.6771 8.8125 126.0102 54.3842 33.4342 174.4522 40 V 4.8693 8.5326 123.2343 61.0804 34.5642 174.5887 41 I 4.5981 8.7220 127.0260 59.6472 40.5907 174.2103 42 I 4.7414 8.4289 127.6888 60.0157 39.0612 175.2289 43 T 4.5230 8.6420 122.9697 61.7808 71.4068 173.1164 44 E 4.8451 8.8349 126.0819 55.8315 31.1847 175.6676 45 M 4.8581 8.9212 122.3947 53.2255 35.2984 175.4440 46 A 4.6988 8.4418 124.2688 51.0853 19.4672 178.6004 47 K 4.0596 9.3016 120.5379 59.2975 32.3540 178.8783 48 G 4.1314 8.0110 105.1348 45.7350 0.0000 173.4466 49 H 4.9512 8.7475 115.0844 54.9674 29.6846 173.4569 50 F 5.0820 8.1722 122.6328 56.2809 41.4459 173.6619 51 G 4.1526 8.3603 116.6226 43.6286 0.0000 172.6900 52 I 4.0170 8.1240 123.4482 60.0607 39.5101 175.9586 53 G 3.9046 9.3692 113.0692 46.1325 0.0000 173.4635 54 G 3.9658 8.3763 108.8648 44.8349 0.0000 174.1820 55 E 4.5015 7.5715 118.8783 54.6193 30.8528 175.8205 56 L 4.4912 8.0771 120.5592 54.3775 42.5147 178.3596 57 A 4.0720 8.8177 125.6012 55.2988 18.5698 179.6628 58 S 4.2897 7.9177 110.4432 60.1529 63.3231 174.5027 59 K 4.1737 7.6104 123.6411 56.6794 32.3365 175.6147 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 4.49 0.00 2.09 2.03 0.00 3.63 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 2.01 2.12 0.00 2 I 8.26 4.73 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 1.27 0.71 0.91 0.00 0.00 3 A 9.21 4.74 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.72 4.83 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 5 I 8.68 4.44 1.84 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 1.21 0.52 0.88 0.00 0.00 6 H 8.82 5.23 0.00 2.93 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.46 4.59 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.04 0.86 0.00 0.00 8 L 8.31 4.62 0.00 1.51 1.62 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.16 4.00 0.00 2.00 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 0.00 2.29 2.27 0.00 10 G 8.77 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.34 0.00 1.80 1.97 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.45 4.57 0.00 4.22 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 13 D 8.45 4.34 0.00 2.78 2.75 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 14 E 8.13 3.97 0.00 2.05 1.99 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 2.40 2.46 0.00 15 Q 7.95 4.01 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.09 4.10 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 17 E 8.28 4.00 0.00 2.16 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 0.00 2.30 2.34 0.00 18 T 7.92 3.87 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 L 7.86 3.92 0.00 1.87 1.85 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.81 3.70 2.00 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 1.39 0.78 0.90 0.00 0.00 21 R 7.75 3.88 0.00 1.84 2.08 0.00 3.10 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 1.62 1.66 0.00 22 E 8.56 3.89 0.00 1.96 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 2.49 2.46 0.00 23 V 7.92 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 24 S 7.88 4.15 0.00 4.11 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 25 E 8.25 3.95 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 2.32 2.32 0.00 26 A 8.12 4.03 1.37 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 0.00 0.00 27 I 7.75 3.65 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 1.41 1.09 0.91 0.00 0.00 28 S 7.89 4.19 0.00 4.03 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 29 R 8.43 4.00 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 7.95 4.23 0.00 4.20 3.97 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 0.00 0.00 0.00 31 L 7.77 4.53 0.00 1.60 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.46 4.32 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.73 1.24 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.72 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 2.07 1.95 0.00 35 L 8.88 3.94 0.00 1.74 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.91 4.01 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 1.21 0.00 0.00 37 S 8.05 4.40 0.00 3.96 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 38 V 7.45 4.00 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.81 4.68 0.00 1.74 1.76 0.00 3.27 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.87 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.72 4.60 1.85 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 1.21 0.68 0.88 0.00 0.00 42 I 8.43 4.74 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.64 4.52 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 1.14 0.00 0.00 44 E 8.83 4.85 0.00 1.83 1.84 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 2.24 2.30 0.00 45 M 8.92 4.86 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 46 A 8.44 4.70 1.07 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 0.00 0.00 0.00 0.00 0.00 47 K 9.30 4.06 0.00 1.82 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.55 7.81 48 G 8.01 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 0.00 0.00 0.00 49 H 8.75 4.95 0.00 3.35 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.17 5.08 0.00 2.97 2.92 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 51 G 8.36 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.12 4.02 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.57 0.83 0.00 0.00 53 G 9.37 3.90 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 0.00 0.00 0.00 54 G 8.38 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.57 4.50 0.00 1.90 1.83 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 2.23 2.38 0.00 56 L 8.08 4.49 0.00 1.75 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.82 4.07 1.62 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 0.00 0.00 58 S 7.92 4.29 0.00 3.96 4.15 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 0.00 0.00 0.00 0.00 59 K 7.61 4.17 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81