NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1034 8.2549 120.8410 55.0159 31.4333 175.1870 2 P 3.9983 0.0000 0.0000 62.1125 31.9131 175.8507 3 D 4.3861 8.5297 122.5129 57.3083 41.7612 178.6600 4 F 4.4733 7.9271 114.3190 59.5630 37.6252 177.6008 5 C 4.7448 7.6215 116.3272 58.8920 40.0417 174.5605 6 L 4.3436 7.8089 119.3341 53.9735 42.1224 176.5972 7 E 4.2283 7.6280 119.4927 54.9768 30.1163 175.1692 8 P 4.3412 0.0000 0.0000 61.8004 31.9498 174.4661 9 P 3.6509 0.0000 0.0000 62.6777 31.4982 175.4344 10 Y 4.5964 7.5890 120.5079 55.9908 40.6082 175.1446 11 T 4.1784 8.3422 125.5434 65.0254 68.8136 176.1867 12 G 3.7749 6.7471 106.4314 44.1770 0.0000 171.1233 13 P 4.3730 0.0000 0.0000 63.6902 31.9401 177.1765 14 C 4.5329 7.6893 117.2103 56.7024 41.0556 173.7985 15 K 4.2334 8.1516 118.1978 56.1636 32.5519 176.7925 16 A 4.1278 7.6496 122.0045 52.0519 19.6999 177.1948 17 R 4.8464 8.1597 117.1966 54.0416 30.5396 173.6161 18 I 4.4472 8.3195 122.3369 58.9228 40.2222 175.1401 19 I 4.0329 8.2679 127.7746 61.5932 37.4822 175.4960 20 R 4.4760 8.3734 124.9183 54.5091 34.9174 173.5493 21 Y 5.6790 9.1922 118.1411 56.5606 40.8580 175.2500 22 F 5.7329 9.5071 117.3338 55.3403 42.1889 172.9624 23 Y 4.4590 9.9438 123.0282 57.3835 40.0540 173.8207 24 N 4.7144 8.4488 126.7782 51.9478 38.8538 175.1949 25 A 3.6959 8.4327 130.0380 54.8484 18.9944 178.6505 26 K 3.9587 8.1702 115.5807 59.6802 32.2706 178.0023 27 A 3.9843 8.1658 119.9392 52.9409 18.4161 177.5550 28 G 4.1048 8.2510 104.0879 45.4996 0.0000 173.2968 29 L 4.6835 6.7853 116.8455 54.1825 43.9212 175.1011 30 C 4.9756 8.6755 117.8014 57.2003 40.7976 172.8902 31 Q 4.7995 8.6413 120.8831 54.4175 33.4280 174.2914 32 T 5.0818 8.6216 110.8549 61.7340 70.5412 173.4520 33 F 5.0744 9.1439 117.3334 55.9923 42.3007 172.8475 34 V 4.3988 8.4247 119.1084 61.6789 32.4601 174.0293 35 Y 4.7495 8.8927 130.5815 56.2558 40.2292 176.4066 36 G 3.8923 8.3223 113.5516 46.2744 0.0000 175.1510 37 G 3.8441 6.5528 107.3605 45.0898 0.0000 172.2546 38 C 4.9673 6.7573 112.0992 54.6519 44.7361 173.1302 39 R 3.8349 8.8394 116.1090 56.9644 27.0421 176.8537 40 A 4.2574 8.4021 119.1632 52.6403 18.9492 178.3573 41 K 4.3735 8.2888 120.7211 54.8365 33.9777 177.2838 42 R 3.5121 8.0349 118.2358 58.9774 30.4471 177.7466 43 N 4.8925 7.5915 116.5137 51.6960 37.1468 174.5239 44 N 5.1190 6.7813 116.1532 52.8901 42.0151 173.1964 45 F 4.9164 9.4525 124.9026 55.3840 42.3723 176.2402 46 K 4.1069 9.1381 126.7611 58.5799 32.7682 177.2384 47 S 4.8751 8.0956 112.3328 56.4929 65.1887 174.5701 48 A 3.3730 8.0313 130.0865 54.5846 18.1332 179.4777 49 E 3.7456 7.9188 117.5973 59.5995 29.6699 178.6175 50 D 4.2934 7.8067 118.4081 57.3303 40.8902 177.8774 51 C 2.4500 7.4945 118.3029 59.3836 40.8569 175.5217 52 M 3.8714 7.6690 120.0118 58.4014 31.3220 178.8901 53 R 3.8240 7.5775 117.4424 59.6249 30.3681 178.3334 54 T 4.0482 7.8460 114.8193 66.0389 68.5152 175.2253 55 C 4.5181 7.6134 115.1647 56.2330 40.8247 173.9638 56 G 3.6383 7.3932 111.0749 43.5560 0.0000 174.7044 57 G 3.7375 8.7007 107.1677 45.5460 0.0000 173.9969 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 R 8.25 4.10 0.00 1.66 1.80 0.00 3.13 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 1.24 1.37 0.00 2 P 0.00 4.00 0.00 0.97 1.42 0.00 3.38 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 3 D 8.53 4.39 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.47 0.00 3.35 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.62 4.74 0.00 2.99 3.22 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 0.00 0.00 0.00 0.00 6 L 7.81 4.34 0.00 1.72 1.76 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.63 4.23 0.00 2.06 1.89 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 2.38 2.43 0.00 8 P 0.00 4.34 0.00 2.10 2.01 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.65 0.00 0.77 0.49 0.00 3.31 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 10 Y 7.59 4.60 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.34 4.18 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 1.17 0.00 0.00 12 G 6.75 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.37 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 14 C 7.69 4.53 0.00 2.80 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 15 K 8.15 4.23 0.00 1.64 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.41 7.81 16 A 7.65 4.13 1.14 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 0.00 0.00 0.00 17 R 8.16 4.85 0.00 1.60 1.78 0.00 3.14 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.32 4.45 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.91 0.00 0.00 19 I 8.27 4.03 1.73 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 1.27 0.67 0.54 0.00 0.00 20 R 8.37 4.48 0.00 0.69 1.66 0.00 3.30 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 21 Y 9.19 5.68 0.00 3.11 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 22 F 9.51 5.73 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.94 4.46 0.00 3.11 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 24 N 8.45 4.71 0.00 2.50 2.52 0.00 0.00 6.66 7.73 0.00 0.00 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 A 8.43 3.70 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 26 K 8.17 3.96 0.00 1.69 2.01 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 A 8.17 3.98 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 28 G 8.25 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 29 L 6.79 4.68 0.00 1.66 1.69 0.81 0.61 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 30 C 8.68 4.98 0.00 2.83 3.06 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 0.00 0.00 0.00 31 Q 8.64 4.80 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 32 T 8.62 5.08 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 1.31 0.00 0.00 33 F 9.14 5.07 0.00 3.03 3.20 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 34 V 8.42 4.40 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.89 4.75 0.00 2.53 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 36 G 8.32 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 0.00 0.00 0.00 37 G 6.55 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 0.00 0.00 0.00 38 C 6.76 4.97 0.00 3.04 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 39 R 8.84 3.83 0.00 2.18 2.24 0.00 3.30 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 40 A 8.40 4.26 1.09 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 0.00 0.00 41 K 8.29 4.37 0.00 1.71 1.85 0.00 1.14 0.00 0.00 1.47 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 1.14 7.81 42 R 8.03 3.51 0.00 1.17 0.66 0.00 3.02 0.00 0.00 2.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.24 0.00 43 N 7.59 4.89 0.00 3.23 2.87 0.00 0.00 6.92 7.67 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 44 N 6.78 5.12 0.00 2.72 2.62 0.00 0.00 7.07 7.02 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 45 F 9.45 4.92 0.00 3.39 3.20 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 46 K 9.14 4.11 0.00 1.78 1.94 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.49 7.81 47 S 8.10 4.88 0.00 3.97 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 48 A 8.03 3.37 0.41 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.92 3.75 0.00 1.96 1.89 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 2.32 2.35 0.00 50 D 7.81 4.29 0.00 3.00 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 51 C 7.49 2.45 0.00 2.72 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 52 M 7.67 3.87 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 53 R 7.58 3.82 0.00 1.77 1.95 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.85 4.05 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 1.55 0.00 0.00 55 C 7.61 4.52 0.00 2.74 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 0.00 0.00 0.00 56 G 7.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00