NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1623 8.3149 120.1230 56.0566 33.7038 174.6339 7 K 4.5455 7.7158 119.9524 54.4422 36.1649 173.4190 8 Y 5.3810 8.8530 121.0429 56.4244 43.1639 173.6750 9 A 5.2692 9.3439 122.2999 50.2340 23.5028 174.7707 10 K 4.9933 9.0243 120.4425 54.5542 35.5042 175.0488 11 S 4.7638 8.6209 122.0291 57.9939 62.9536 174.9363 12 K 3.7028 9.1174 127.0836 58.5032 32.5493 175.9577 13 Y 4.9766 7.2807 115.0376 56.1179 42.3540 174.5625 14 D 4.9909 8.8229 119.8080 54.3943 42.4467 176.2531 15 F 4.9325 9.3532 122.4350 56.9056 43.1866 173.0448 16 V 4.2606 7.5253 125.5502 60.4214 32.9120 175.1919 17 A 3.9844 8.2220 131.6136 52.7712 18.6474 177.4196 18 R 4.2770 9.3642 122.3721 57.4503 31.1941 175.8385 19 N 4.9444 7.7136 113.9171 51.2655 39.9971 175.1525 20 S 4.3198 8.6563 112.7375 61.0762 63.0559 175.7473 21 S 4.4472 8.7003 117.6253 60.8355 63.0976 174.3382 22 E 4.8198 7.8565 117.3188 56.2393 30.2737 176.3386 23 L 5.0117 8.7436 122.3137 53.4576 44.9539 176.3587 24 S 4.7639 8.8283 121.2898 58.7199 63.9271 173.6383 25 V 4.6605 8.9897 121.8474 61.7076 35.5346 173.5215 26 M 5.2314 9.0624 124.8252 52.8645 34.9798 175.3959 27 K 3.9637 9.1248 124.0253 58.2763 32.7583 176.7982 28 D 4.5076 9.2282 122.8414 54.7085 39.9827 174.2417 29 D 4.7071 8.1630 120.2929 54.4478 42.0350 175.6452 30 V 4.8963 8.2592 120.3746 60.2478 33.7989 175.0299 31 L 5.1101 9.1234 122.1060 53.1329 46.3451 174.8645 32 E 4.4134 8.8924 123.6901 54.9818 31.2554 175.0689 33 I 4.0747 8.3510 129.1027 61.2619 36.8746 175.5673 34 L 4.2040 8.6345 128.3477 56.3133 43.1645 176.8202 35 D 4.3639 7.6414 119.4209 52.6220 43.6822 174.7750 36 D 4.0123 8.0868 125.8835 52.9162 39.7322 178.1617 37 R 4.0670 8.0536 121.1106 58.8106 30.2688 176.2439 38 R 4.8941 7.7809 115.2973 53.8765 33.5371 174.9867 39 Q 4.3520 8.9199 118.6655 59.2034 30.0507 176.2438 40 W 5.0317 8.5076 118.2251 55.3493 30.4860 176.1454 41 W 5.1846 9.0530 125.1796 55.4842 30.9602 175.3281 42 K 4.0150 8.4559 125.3316 55.6588 32.8382 176.0706 43 V 4.9796 8.8456 120.0408 59.6246 36.8325 174.0835 44 R 5.0107 8.7809 122.4390 54.9711 32.3473 175.3582 45 N 5.1643 8.3584 124.1397 51.2543 39.9622 174.9927 46 A 4.0916 8.6053 119.8436 55.5846 18.5068 179.2474 47 S 4.2055 8.1121 109.6351 59.7512 63.2758 175.4436 48 G 3.9540 8.2592 109.8294 45.1143 0.0000 173.1582 49 D 4.8134 7.9514 119.7372 54.2069 42.6418 174.8842 50 S 5.1130 8.6066 115.1288 56.4313 66.6018 173.3143 51 G 4.1027 8.0787 107.1016 46.8585 0.0000 171.1601 52 F 5.5483 8.3326 118.4555 56.2510 41.1165 175.9257 53 V 4.2553 8.7787 121.8023 59.9583 35.3707 172.8657 54 P 3.1798 0.0000 0.0000 62.0409 31.6413 177.1821 55 N 3.2793 8.4068 119.9620 54.7415 37.3271 176.9225 56 N 4.1206 7.5744 115.7666 54.9420 37.6228 175.4593 57 I 4.2732 7.0618 111.3778 60.9958 38.1706 174.8408 58 L 5.1652 7.4014 120.9663 53.2707 44.5597 175.4110 59 D 4.9772 8.8416 120.8214 52.3085 43.9558 175.4675 60 I 4.3049 8.6159 124.1474 61.3635 38.9502 174.6690 61 M 4.5210 8.9912 129.6867 54.1432 32.9647 175.8306 62 R 4.3713 8.5121 123.9832 55.2524 31.6801 175.8193 63 T 4.1144 8.3843 117.5001 62.4007 67.3847 174.1371 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 6 K 8.31 4.16 0.00 1.75 1.41 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 7 K 7.72 4.55 0.00 1.52 1.51 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 8 Y 8.85 5.38 0.00 2.92 2.84 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 9 A 9.34 5.27 1.41 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 10 K 9.02 4.99 0.00 1.79 1.61 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.49 7.81 11 S 8.62 4.76 0.00 3.96 3.83 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 0.00 0.00 0.00 12 K 9.12 3.70 0.00 1.11 0.74 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.19 7.81 13 Y 7.28 4.98 0.00 2.84 2.84 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 14 D 8.82 4.99 0.00 2.62 2.64 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 15 F 9.35 4.93 0.00 3.01 2.89 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 16 V 7.53 4.26 1.86 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 0.71 0.00 0.00 0.83 0.00 0.00 17 A 8.22 3.98 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 18 R 9.36 4.28 0.00 1.91 2.03 0.00 3.42 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 19 N 7.71 4.94 0.00 2.90 2.89 0.00 0.00 6.02 7.64 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 20 S 8.66 4.32 0.00 4.03 4.08 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 0.00 0.00 0.00 21 S 8.70 4.45 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 4.82 0.00 2.23 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 2.50 2.54 0.00 23 L 8.74 5.01 0.00 1.79 1.68 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.83 4.76 0.00 3.83 3.79 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 0.00 0.00 0.00 25 V 8.99 4.66 2.26 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 1.09 0.00 0.00 1.04 0.00 0.00 26 M 9.06 5.23 0.00 1.96 2.23 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 2.52 2.61 0.00 27 K 9.12 3.96 0.00 1.69 1.76 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 28 D 9.23 4.51 0.00 2.82 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 29 D 8.16 4.71 0.00 2.87 2.62 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 30 V 8.26 4.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.99 0.00 0.00 31 L 9.12 5.11 0.00 1.63 1.61 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.89 4.41 0.00 1.97 1.74 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 1.97 1.65 0.00 33 I 8.35 4.07 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.38 0.00 0.00 34 L 8.63 4.20 0.00 1.46 1.61 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.64 4.36 0.00 2.60 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 0.00 0.00 0.00 0.00 36 D 8.09 4.01 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.07 0.00 2.02 2.08 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 38 R 7.78 4.89 0.00 2.25 2.02 0.00 3.47 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 39 Q 8.92 4.35 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 40 W 8.51 5.03 0.00 3.28 3.45 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 0.00 41 W 9.05 5.18 0.00 3.27 2.83 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 0.00 0.00 0.00 42 K 8.46 4.02 0.00 0.79 1.33 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.12 0.77 7.81 43 V 8.85 4.98 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 0.75 0.00 0.00 0.97 0.00 0.00 44 R 8.78 5.01 0.00 1.84 1.75 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 45 N 8.36 5.16 0.00 2.98 3.02 0.00 0.00 6.48 7.07 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 46 A 8.61 4.09 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 47 S 8.11 4.21 0.00 4.04 4.04 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 48 G 8.26 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 49 D 7.95 4.81 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.61 5.11 0.00 3.82 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 51 G 8.08 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 52 F 8.33 5.55 0.00 3.23 3.44 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 53 V 8.78 4.26 1.95 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 0.56 0.00 0.00 1.05 0.00 0.00 54 P 0.00 3.18 0.00 1.66 0.51 0.00 2.20 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 1.13 0.83 0.00 55 N 8.41 3.28 0.00 1.44 1.54 0.00 0.00 6.49 6.59 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 56 N 7.57 4.12 0.00 2.74 2.84 0.00 0.00 6.03 7.81 0.00 0.00 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 I 7.06 4.27 2.05 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 1.21 0.68 0.91 0.00 0.00 58 L 7.40 5.17 0.00 1.27 1.57 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.84 4.98 0.00 2.50 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.30 2.09 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 1.38 0.98 0.98 0.00 0.00 61 M 8.99 4.52 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 62 R 8.51 4.37 0.00 1.76 1.82 0.00 3.30 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 63 T 8.38 4.11 4.27 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 1.22 0.00 0.00