NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 S 4.3761 8.1885 115.2928 57.9937 63.6462 174.5506 82 A 3.9937 8.3570 127.4161 53.8098 18.2694 178.6437 83 S 4.0941 8.6433 113.7898 61.5825 63.0795 174.4061 84 N 4.4843 8.1204 118.6654 55.9716 38.3621 176.9412 85 E 4.0035 8.1625 120.7104 59.0063 29.6792 178.6543 86 F 4.0786 8.0817 120.4489 61.4676 39.6179 177.2595 87 L 4.2568 8.3079 118.4108 57.6648 41.2520 179.3854 88 N 4.4525 8.1463 116.3469 56.2767 38.7213 177.5818 89 I 3.7320 7.6048 120.8284 63.8749 37.0548 178.3885 90 W 3.8750 8.5016 129.8810 60.3620 30.4926 178.3011 91 G 3.8889 8.5473 105.9107 47.7984 0.0000 175.9244 92 G 3.5317 7.9428 107.5838 47.7595 0.0000 175.9274 93 Q 3.9031 7.7492 120.2840 58.5799 28.6052 178.3455 94 Y 3.5349 7.6568 120.7466 60.5374 38.7709 177.6790 95 N 4.0281 8.1764 117.5402 56.6595 38.6282 177.1930 96 H 4.1037 8.0697 117.4851 59.0076 28.6963 178.1142 97 T 3.6998 7.5705 117.6969 66.4705 68.2644 177.1050 98 V 3.0771 7.2963 120.2091 65.6779 31.3457 178.1767 99 Q 3.8196 7.7961 117.9414 59.0430 28.5236 178.7516 100 T 3.7642 7.6674 116.8618 66.3544 68.4359 176.4679 101 L 3.6085 7.5539 122.2275 58.1095 42.0961 179.1061 102 F 4.6365 7.9986 117.5011 60.6450 38.8405 177.5607 103 A 4.0913 8.2842 120.5330 55.0724 18.1033 179.7355 104 L 3.9441 7.8309 117.6886 57.8160 41.5774 179.6628 105 F 4.6037 8.0154 117.8683 60.5967 38.7817 177.7859 106 K 3.9869 8.3232 118.1543 59.4539 31.8649 179.2774 107 K 3.9343 8.1011 119.8310 59.3519 32.0121 178.6741 108 L 4.0111 8.0732 120.7723 58.0379 41.9680 179.0785 109 K 3.9754 8.3575 118.6976 59.2889 31.8955 179.1234 110 L 3.9237 8.2412 120.9121 58.2859 42.0125 178.4421 111 H 4.0821 8.2166 118.1850 59.4498 29.8335 177.0055 112 N 4.2836 8.4408 118.1168 56.2231 38.3623 177.3176 113 A 3.9196 8.2589 122.4550 55.4650 18.4807 179.6718 114 M 3.9854 8.2399 117.4219 58.3807 32.0081 179.0156 115 R 3.8176 7.8888 119.0739 59.0173 30.2151 178.4091 116 L 3.6377 7.7162 120.1903 58.1325 42.0430 179.0145 117 I 3.5992 7.6066 119.7138 64.3536 37.0115 178.6697 118 K 3.9987 8.1540 119.3100 59.3857 31.8079 179.2692 119 D 4.3980 8.0368 119.3260 57.5832 40.7704 178.4049 120 Y 4.3376 8.1747 117.3491 61.0742 37.8821 178.6169 121 V 3.6654 8.1963 119.4559 66.0857 31.6667 178.0385 122 S 4.1489 8.1594 112.9182 61.3589 62.0101 175.7188 123 E 3.9788 8.1388 121.0974 59.2864 29.7034 178.2921 124 D 4.5467 8.3179 118.9259 57.5196 41.0336 178.7540 125 L 4.5573 8.2226 118.7886 57.4205 41.7459 178.7888 126 H 4.2294 8.2021 118.6727 58.7951 29.5223 176.3412 127 K 4.1814 7.4327 116.4349 57.6852 32.6109 176.7469 128 Y 4.7005 7.6388 117.3273 57.6956 38.3227 175.7487 129 I 4.1691 7.2390 118.8078 61.0674 37.7192 175.0467 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 81 S 8.19 4.38 0.00 3.88 3.81 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 0.00 0.00 0.00 0.00 82 A 8.36 3.99 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 83 S 8.64 4.09 0.00 3.83 3.86 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 84 N 8.12 4.48 0.00 2.88 2.88 0.00 0.00 6.76 7.66 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 85 E 8.16 4.00 0.00 2.25 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 2.36 2.42 0.00 86 F 8.08 4.08 0.00 3.29 3.24 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 87 L 8.31 4.26 0.00 1.83 1.78 0.93 0.51 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 88 N 8.15 4.45 0.00 2.94 2.88 0.00 0.00 6.88 6.24 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 89 I 7.60 3.73 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 1.71 1.24 0.84 0.00 0.00 90 W 8.50 3.87 0.00 2.80 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 91 G 8.55 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 92 G 7.94 3.53 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 0.00 0.00 0.00 93 Q 7.75 3.90 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 94 Y 7.66 3.53 0.00 1.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.03 0.00 2.61 2.70 0.00 0.00 7.09 8.54 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 96 H 8.07 4.10 0.00 3.21 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.57 3.70 4.03 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 1.02 0.00 0.00 98 V 7.30 3.08 1.44 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 0.15 0.00 0.00 -0.08 0.00 0.00 99 Q 7.80 3.82 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 100 T 7.67 3.76 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 1.10 0.00 0.00 101 L 7.55 3.61 0.00 1.56 1.44 0.49 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.00 4.64 0.00 3.14 3.01 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 0.00 0.00 0.00 103 A 8.28 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.83 3.94 0.00 1.62 1.59 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.02 4.60 0.00 3.29 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 0.00 106 K 8.32 3.99 0.00 2.04 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.68 7.81 107 K 8.10 3.93 0.00 1.97 1.99 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 108 L 8.07 4.01 0.00 1.90 1.93 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.36 3.98 0.00 1.99 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.68 7.81 110 L 8.24 3.92 0.00 1.75 1.82 0.92 1.22 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 0.00 111 H 8.22 4.08 0.00 3.40 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.44 4.28 0.00 2.90 2.83 0.00 0.00 6.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.26 3.92 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 0.00 114 M 8.24 3.99 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 115 R 7.89 3.82 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 116 L 7.72 3.64 0.00 1.72 1.63 0.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.61 3.60 1.87 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 1.47 0.43 0.90 0.00 0.00 118 K 8.15 4.00 0.00 1.83 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 119 D 8.04 4.40 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.17 4.34 0.00 3.07 2.97 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 0.00 121 V 8.20 3.67 2.25 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 1.03 0.00 0.00 1.02 0.00 0.00 122 S 8.16 4.15 0.00 4.07 4.07 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 0.00 123 E 8.14 3.98 0.00 2.16 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 2.28 2.32 0.00 124 D 8.32 4.55 0.00 3.05 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 0.00 125 L 8.22 4.56 0.00 1.79 1.82 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.20 4.23 0.00 3.39 3.51 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.43 4.18 0.00 1.72 1.74 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 0.45 7.81 128 Y 7.64 4.70 0.00 3.11 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 0.00 129 I 7.24 4.17 1.87 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 1.34 0.59 0.95 0.00 0.00