NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4628 8.1633 120.3264 54.9976 33.8295 175.8457 2 T 3.6817 8.5828 115.9375 67.1219 68.0582 173.4445 3 E 4.1547 8.9066 119.4862 59.3550 29.9781 178.7145 4 T 4.0136 7.5861 115.6290 67.2117 68.5475 174.9158 5 D 4.6200 8.1128 119.5467 55.2142 42.2214 177.1329 6 K 4.3846 8.3467 125.7912 56.6901 31.5569 176.6682 7 K 4.2862 8.3395 124.2309 57.0236 34.0577 177.2170 8 Q 4.6016 8.6398 120.0724 55.2422 33.7804 173.8877 9 E 4.3149 8.5445 115.0189 57.7646 31.1057 177.7706 10 Q 3.5217 7.7908 116.8721 56.2339 25.9195 174.9541 11 E 4.1304 9.2588 119.8172 58.0649 30.0025 175.6496 12 N 4.9068 7.8803 116.6188 52.1373 41.6523 173.9142 13 H 4.3851 9.0454 125.1945 58.5433 30.7047 175.8528 14 A 4.3333 7.6628 122.8576 51.3661 16.6705 177.5164 15 E 4.6076 8.1381 123.6802 55.1041 28.1642 178.0414 16 C 4.2636 7.7989 116.0859 61.6237 30.9538 175.4195 17 E 4.3017 7.7895 119.3639 55.1510 27.8096 177.5518 18 D 4.6693 7.5762 123.8151 54.7244 39.0817 175.2049 19 K 4.4642 7.5236 118.6555 53.4975 34.2369 174.2667 20 P 4.4238 0.0000 0.0000 62.5743 31.7151 177.3456 21 K 4.4915 8.1734 119.3335 53.5606 32.7818 174.8961 22 P 4.3399 0.0000 0.0000 63.5521 31.6891 177.5269 23 C 3.8514 7.4690 113.6719 59.5615 28.2905 173.2645 24 C 3.9143 8.7458 118.3097 58.5069 27.4971 178.2155 25 V 2.1645 7.2917 117.1703 61.9896 32.0510 175.6472 26 C 5.0131 8.0124 120.7751 55.8160 44.4391 175.4669 27 K 3.8781 7.7997 119.6766 58.8489 31.6758 175.3374 28 P 4.3890 0.0000 0.0000 66.2921 31.5783 178.4061 29 E 4.2494 8.2171 118.2106 58.4934 29.3730 178.9683 30 K 3.8570 8.5361 120.1831 59.5742 32.2362 178.4331 31 E 4.0137 8.3217 118.8418 59.5838 29.4591 179.1517 32 E 3.7303 8.5575 118.6473 59.5915 29.4957 179.0769 33 R 3.6823 8.1388 118.6647 59.9562 30.0600 178.1867 34 D 4.2813 8.4387 118.6423 57.4434 40.7378 179.0284 35 T 3.6862 8.0615 116.9027 66.6334 68.3871 174.0749 36 C 4.3123 8.2906 116.3971 58.6642 38.6972 175.6599 37 I 3.6279 7.9843 122.8870 63.9806 36.5135 177.6877 38 L 3.8221 7.9542 120.0981 58.9125 41.9239 178.7257 39 F 4.4676 8.1853 116.3897 59.3211 39.4840 177.2720 40 N 5.0508 8.9351 116.7096 52.1648 41.8908 175.3501 41 G 3.6437 8.7877 106.2941 44.6348 0.0000 173.3109 42 Q 3.6643 8.7694 118.3448 55.9577 28.7244 173.9614 43 D 4.5902 7.8308 118.3307 55.9747 42.7040 177.8428 44 S 4.2953 8.0081 113.4617 57.9889 62.7102 174.5676 45 E 3.8509 8.9669 122.4138 59.5484 29.2664 178.8165 46 K 4.0737 8.0022 117.6357 57.9584 32.6584 176.9695 47 C 4.9747 8.5304 116.1903 58.4522 37.5897 175.5238 48 K 3.8228 7.5060 121.6196 60.1730 31.6918 178.3451 49 E 3.7905 8.2341 118.1662 59.5352 29.0957 179.2976 50 F 4.2160 7.9120 118.5824 59.7489 38.8432 177.6600 51 I 3.8732 8.0363 119.0084 64.4165 37.2528 178.0148 52 E 4.1364 8.7210 119.6534 59.4817 29.1011 179.1639 53 K 3.8804 8.3130 119.7986 59.9599 30.8399 177.9586 54 Y 4.3198 8.6171 120.3370 60.2718 38.5474 178.3565 55 K 3.7966 8.1619 120.1052 59.7095 33.0612 178.7602 56 E 3.8961 7.9407 116.6055 61.1172 29.2702 179.6203 57 C 3.4994 8.8449 115.7177 58.3414 36.9642 176.3084 58 M 4.0933 7.7963 117.3717 58.0200 31.7349 178.7406 59 K 3.9343 8.1390 119.4688 59.5767 32.4076 178.6946 60 G 3.7263 8.3088 104.6455 48.0852 0.0000 174.5853 61 Y 4.4368 8.1213 121.6767 60.3011 38.7005 176.3746 62 G 3.6897 7.5368 107.9545 45.0595 0.0000 173.2584 63 F 5.0479 7.8442 118.0250 55.3557 41.4191 175.9529 64 E 4.1925 8.6915 128.8501 55.3363 27.3455 174.4634 65 V 3.6598 7.7644 121.6423 61.8010 32.5958 169.4814 66 P 4.5222 0.0000 0.0000 61.7036 32.3922 176.6833 67 S 4.0486 8.5364 113.0661 60.3541 62.1885 174.8528 68 A 4.4189 7.4492 121.8464 51.7748 19.8075 175.4930 69 N 4.4009 8.4744 118.7951 54.5770 38.8398 174.3271 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 M 8.16 4.46 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 T 8.58 3.68 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 3 E 8.91 4.15 0.00 1.93 2.01 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 2.31 2.34 0.00 4 T 7.59 4.01 4.31 0.00 0.00 0.00 0.00 0.00 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 5 D 8.11 4.62 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.38 0.00 1.86 1.84 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.43 7.81 7 K 8.34 4.29 0.00 1.71 1.58 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.32 1.41 7.81 8 Q 8.64 4.60 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 9 E 8.54 4.31 0.00 2.03 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 2.19 2.36 0.00 10 Q 7.79 3.52 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.04 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 11 E 9.26 4.13 0.00 1.86 2.13 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 2.30 2.29 0.00 12 N 7.88 4.91 0.00 2.70 2.60 0.00 0.00 6.69 8.17 0.00 0.00 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 H 9.05 4.39 0.00 3.14 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.66 4.33 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 15 E 8.14 4.61 0.00 2.10 2.04 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 2.47 2.28 0.00 16 C 7.80 4.26 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.30 0.00 2.08 2.04 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 2.28 2.36 0.00 18 D 7.58 4.67 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.52 4.46 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.37 7.81 20 P 0.00 4.42 0.00 2.19 2.07 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 21 K 8.17 4.49 0.00 1.79 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.61 7.81 22 P 0.00 4.34 0.00 2.08 2.27 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 23 C 7.47 3.85 0.00 3.30 3.02 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 24 C 8.75 3.91 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 2.16 1.81 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 0.11 0.00 0.00 0.79 0.00 0.00 26 C 8.01 5.01 0.00 2.85 3.10 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 27 K 7.80 3.88 0.00 1.85 1.72 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.69 7.81 28 P 0.00 4.39 0.00 2.34 2.32 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 29 E 8.22 4.25 0.00 2.23 2.21 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 2.48 2.51 0.00 30 K 8.54 3.86 0.00 2.01 2.03 0.00 1.55 0.00 0.00 1.47 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 31 E 8.32 4.01 0.00 2.16 1.96 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 2.30 2.45 0.00 32 E 8.56 3.73 0.00 2.14 1.64 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 2.33 2.47 0.00 33 R 8.14 3.68 0.00 1.94 1.95 0.00 2.87 0.00 0.00 2.66 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 34 D 8.44 4.28 0.00 2.58 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 35 T 8.06 3.69 4.32 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 1.26 0.00 0.00 36 C 8.29 4.31 0.00 3.02 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 37 I 7.98 3.63 1.98 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 1.40 0.66 0.90 0.00 0.00 38 L 7.95 3.82 0.00 1.54 1.71 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.19 4.47 0.00 3.23 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 40 N 8.94 5.05 0.00 2.70 2.78 0.00 0.00 6.92 8.10 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 41 G 8.79 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 42 Q 8.77 3.66 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 43 D 7.83 4.59 0.00 2.62 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 44 S 8.01 4.30 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 3.85 0.00 2.00 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 0.00 2.40 2.29 0.00 46 K 8.00 4.07 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.56 7.81 47 C 8.53 4.97 0.00 3.20 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 48 K 7.51 3.82 0.00 2.23 2.14 0.00 1.21 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.68 7.81 49 E 8.23 3.79 0.00 1.77 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 1.91 1.69 0.00 50 F 7.91 4.22 0.00 3.25 3.15 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 51 I 8.04 3.87 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 1.01 0.00 0.00 52 E 8.72 4.14 0.00 2.06 2.01 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 2.54 2.47 0.00 53 K 8.31 3.88 0.00 1.92 2.06 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 54 Y 8.62 4.32 0.00 3.23 3.25 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 55 K 8.16 3.80 0.00 2.01 2.06 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.43 7.81 56 E 7.94 3.90 0.00 2.32 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 0.00 2.30 2.69 0.00 57 C 8.84 3.50 0.00 3.12 3.02 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 58 M 7.80 4.09 0.00 2.20 2.07 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 2.41 2.42 0.00 59 K 8.14 3.93 0.00 1.86 1.93 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.76 1.62 7.81 60 G 8.31 3.73 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 0.00 0.00 0.00 61 Y 8.12 4.44 0.00 2.83 3.09 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 62 G 7.54 3.69 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 0.00 0.00 0.00 63 F 7.84 5.05 0.00 3.06 2.79 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 64 E 8.69 4.19 0.00 1.94 1.92 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 2.31 2.37 0.00 65 V 7.76 3.66 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 66 P 0.00 4.52 0.00 2.12 2.01 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 67 S 8.54 4.05 0.00 3.75 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 68 A 7.45 4.42 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 69 N 8.47 4.40 0.00 2.68 2.68 0.00 0.00 7.12 7.59 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