NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 F 4.5100 8.3244 119.4607 57.6675 40.2675 173.4659 32 N 4.7433 8.2572 121.4225 52.6606 41.8103 167.1073 33 V 4.6321 8.0610 112.4582 60.2988 36.6227 174.3627 34 S 4.7244 8.3578 112.9455 58.5216 62.6753 172.8347 35 N 5.1110 8.1130 113.6622 50.7633 42.0200 175.0572 36 A 4.1499 8.7270 122.9041 54.2299 18.8107 177.9033 37 E 4.9247 7.4785 110.6371 54.5386 33.1872 177.0746 38 L 4.2035 8.4975 122.8350 58.4620 40.5581 179.4086 39 I 3.5988 8.0220 120.7456 64.9881 36.9118 178.2108 40 V 3.8670 7.8809 112.0276 64.1125 30.9471 178.1051 41 M 4.1052 8.0347 117.8488 58.1843 32.1005 177.8556 42 R 4.2767 8.2056 118.3534 59.3498 30.3346 178.7472 43 V 3.8189 7.5492 110.7369 64.4559 31.7304 178.6772 44 I 3.7924 7.4116 119.0614 64.0373 36.6945 178.0670 45 W 4.4184 7.8289 127.6136 60.7753 30.4353 177.6338 46 S 3.7831 7.4531 111.9513 60.8902 61.9416 175.5672 47 L 4.1030 7.6656 121.7450 58.5115 42.0255 176.3922 48 G 4.2088 7.8093 110.1882 44.3618 0.0000 172.8329 49 E 4.7657 7.9817 119.2495 53.5984 33.3416 174.6172 50 A 4.8502 8.9338 126.7476 50.1217 21.8076 176.2193 51 R 5.3530 8.9147 121.4266 54.7546 31.3783 178.1167 52 V 3.7718 8.8621 120.5747 65.3808 31.3396 178.1537 53 D 4.6759 8.2435 119.0303 55.7694 39.0915 178.3719 54 E 3.9884 8.1035 120.2106 59.3414 29.5674 178.6620 55 I 3.8134 7.9053 112.1080 64.5155 37.7722 177.1817 56 Y 4.4063 7.9691 120.0208 60.3440 38.4513 177.6022 57 A 3.7861 7.6703 120.3310 54.7038 18.4837 178.6574 58 Q 4.4258 7.4829 112.9512 55.7705 29.3439 176.2317 59 I 4.1140 7.1876 122.2688 58.8593 37.0579 173.7489 60 P 4.5512 0.0000 0.0000 61.5685 32.6864 177.7615 61 Q 4.0634 8.4711 117.3946 58.5635 28.7611 178.5641 62 E 3.9508 8.1860 117.8171 58.7091 29.6736 177.5761 63 L 3.9536 7.5158 117.1311 54.9740 42.0154 177.6351 64 E 3.9087 8.1146 114.7786 56.3753 27.5545 174.4132 65 W 4.5688 8.0638 118.7067 56.6258 30.0682 174.5681 66 S 4.9210 8.2186 113.3530 55.5520 65.5441 174.4261 67 L 3.2751 8.5822 123.5925 58.2370 41.4103 178.6228 68 A 3.9076 7.9355 119.7797 55.5243 18.1938 179.4664 69 T 3.5253 7.6232 113.7532 66.7209 68.4521 177.1288 70 V 3.5928 7.6587 120.3469 64.7275 31.0712 178.0122 71 K 3.6845 7.7321 118.9496 59.6235 31.7415 179.2077 72 T 3.7941 7.5243 111.5006 64.6855 67.4746 175.7838 73 L 4.0073 7.6443 122.5340 57.7883 42.0521 178.5115 74 L 3.9887 8.0494 119.4730 58.0964 41.2799 179.7984 75 G 3.7422 7.6909 104.6967 47.8065 0.0000 175.8682 76 R 4.0344 7.9397 120.0626 58.9513 30.1424 178.6673 77 L 4.0117 7.8779 118.2561 58.2362 41.4890 180.0687 78 V 4.3150 7.8785 112.1944 63.6067 31.5459 178.3870 79 K 4.2466 7.6907 115.7753 57.8134 31.9710 178.3000 80 K 4.5076 7.3281 117.8753 55.5769 32.8309 176.1793 81 E 3.8441 8.0505 115.3637 57.7234 27.2092 175.6618 82 M 4.1819 7.9578 119.2627 57.7271 32.5600 176.1843 83 L 5.0504 7.6026 115.7884 53.0660 46.7942 174.6847 84 S 5.2636 9.0958 115.4178 57.5455 67.5920 173.0539 85 T 5.0119 8.1805 113.6004 61.1359 70.1895 172.3913 86 E 4.7811 9.1838 125.9500 54.4502 34.5718 174.8680 87 K 4.2672 8.4804 123.4607 55.5061 32.5217 175.6181 88 E 4.5833 8.7688 126.5666 55.6680 33.7413 175.4731 89 G 3.9252 9.1972 108.0018 47.3535 0.0000 174.1640 90 R 3.7440 8.3722 113.4901 56.2705 28.2796 175.7250 91 K 4.6780 7.6293 116.8338 54.7696 36.4058 174.7163 92 F 4.8062 8.5541 117.1967 56.6989 41.0714 175.4121 93 V 4.6085 8.8284 122.5128 61.5022 33.8151 173.7815 94 Y 5.1349 9.4381 126.8743 56.4611 39.6935 175.1157 95 R 5.1979 9.1457 120.6811 53.7702 33.4454 173.0233 96 P 4.9152 0.0000 0.0000 62.8314 32.5473 175.3833 97 L 4.9080 8.2962 119.1937 53.4649 45.1497 176.0019 98 M 4.8454 8.1479 119.8996 53.6767 36.2667 174.7094 99 E 4.1210 8.6544 119.9173 56.6510 29.8468 176.4925 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 31 F 8.32 4.51 0.00 2.97 3.08 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 32 N 8.26 4.74 0.00 2.74 2.67 0.00 0.00 6.84 6.85 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 33 V 8.06 4.63 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 0.76 0.00 0.00 0.97 0.00 0.00 34 S 8.36 4.72 0.00 3.76 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 35 N 8.11 5.11 0.00 2.71 2.70 0.00 0.00 7.14 7.35 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 36 A 8.73 4.15 1.31 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 0.00 0.00 0.00 37 E 7.48 4.92 0.00 2.29 2.00 0.00 0.00 0.00 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 2.38 0.00 38 L 8.50 4.20 0.00 1.92 1.96 0.95 0.81 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 39 I 8.02 3.60 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.68 0.00 0.00 40 V 7.88 3.87 2.16 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 1.04 0.00 0.00 1.03 0.00 0.00 41 M 8.03 4.11 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 42 R 8.21 4.28 0.00 2.09 2.02 0.00 3.53 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 43 V 7.55 3.82 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 0.98 0.00 0.00 1.03 0.00 0.00 44 I 7.41 3.79 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 1.03 0.00 0.00 45 W 7.83 4.42 0.00 3.27 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 46 S 7.45 3.78 0.00 3.32 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.10 0.00 1.65 1.82 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.81 4.21 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 0.00 49 E 7.98 4.77 0.00 1.82 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 2.23 2.39 0.00 50 A 8.93 4.85 1.31 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 0.00 0.00 0.00 51 R 8.91 5.35 0.00 1.87 2.04 0.00 3.46 0.00 0.00 3.38 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.55 0.00 52 V 8.86 3.77 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 1.26 0.00 0.00 1.04 0.00 0.00 53 D 8.24 4.68 0.00 3.02 3.08 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 54 E 8.10 3.99 0.00 2.21 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 0.00 2.44 2.36 0.00 55 I 7.91 3.81 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.55 1.03 0.00 0.00 56 Y 7.97 4.41 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.79 1.35 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 0.00 0.00 58 Q 7.48 4.43 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.26 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 59 I 7.19 4.11 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.02 0.00 0.00 60 P 0.00 4.55 0.00 2.14 2.10 0.00 3.54 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 61 Q 8.47 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 62 E 8.19 3.95 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 63 L 7.52 3.95 0.00 1.44 0.72 0.25 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.11 3.91 0.00 2.31 2.20 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 2.26 2.31 0.00 65 W 8.06 4.57 0.00 3.31 3.07 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 66 S 8.22 4.92 0.00 3.84 3.66 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 67 L 8.58 3.28 0.00 1.28 1.33 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.94 3.91 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 69 T 7.62 3.53 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 0.20 0.00 0.00 70 V 7.66 3.59 2.27 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 0.94 0.00 0.00 0.97 0.00 0.00 71 K 7.73 3.68 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.46 7.81 72 T 7.52 3.79 4.14 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 1.13 0.00 0.00 73 L 7.64 4.01 0.00 1.76 1.73 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.05 3.99 0.00 1.69 1.52 -0.27 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.69 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 76 R 7.94 4.03 0.00 2.04 1.96 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 77 L 7.88 4.01 0.00 1.80 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.88 4.31 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 1.21 0.00 0.00 0.95 0.00 0.00 79 K 7.69 4.25 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.61 7.81 80 K 7.33 4.51 0.00 1.77 1.80 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.50 7.81 81 E 8.05 3.84 0.00 2.12 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 2.21 2.31 0.00 82 M 7.96 4.18 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 83 L 7.60 5.05 0.00 1.63 1.63 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 S 9.10 5.26 0.00 3.73 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 85 T 8.18 5.01 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 1.16 0.00 0.00 86 E 9.18 4.78 0.00 1.83 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 87 K 8.48 4.27 0.00 1.45 1.54 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.82 0.94 7.81 88 E 8.77 4.58 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 89 G 9.20 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.37 3.74 0.00 1.92 1.97 0.00 3.28 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 91 K 7.63 4.68 0.00 1.99 1.75 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 92 F 8.55 4.81 0.00 3.09 2.33 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 93 V 8.83 4.61 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 1.05 0.00 0.00 0.95 0.00 0.00 94 Y 9.44 5.13 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 9.15 5.20 0.00 2.00 2.03 0.00 2.81 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 96 P 0.00 4.92 0.00 2.17 2.18 0.00 3.95 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 2.07 2.13 0.00 97 L 8.30 4.91 0.00 1.62 1.58 0.94 0.85 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 98 M 8.15 4.85 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 99 E 8.65 4.12 0.00 1.93 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 2.30 2.25 0.00