NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 67 M 4.5765 8.1633 120.2885 55.2829 33.9825 173.7014 68 I 4.8245 8.5015 124.0253 59.2197 39.6783 173.4266 69 I 4.5873 9.5042 127.6103 59.5460 40.5354 173.5980 70 N 5.1130 8.9359 125.7778 52.0148 40.5272 174.1222 71 N 4.9156 8.5583 121.3949 52.4527 40.2374 175.8167 72 L 3.6672 8.3194 123.0666 58.3600 41.9126 179.3263 73 K 3.8969 7.9476 117.8219 60.0625 32.3561 178.5790 74 L 3.9431 7.8191 121.5086 57.8082 42.0262 179.0297 75 I 3.7097 7.5983 119.4165 64.3236 37.2020 178.4136 76 R 3.9458 7.7750 118.9298 59.3392 29.6500 179.0040 77 E 4.1077 7.9549 117.5030 59.0850 29.4857 179.0182 78 K 4.0452 8.1504 118.4790 59.9712 32.4816 177.6741 79 K 4.5969 7.7453 117.2081 54.4024 37.0703 176.3722 80 K 4.6288 8.1665 113.7469 55.7717 32.1578 174.9341 81 I 4.4751 7.7400 121.0126 59.9957 40.4914 177.0253 82 S 4.5674 8.3110 120.8482 57.1971 65.2894 175.4755 83 Q 3.9536 8.4075 120.9921 59.9994 28.1852 179.0826 84 S 4.0905 7.9689 116.7684 60.9142 62.9158 176.3253 85 E 3.9269 8.0698 120.9276 59.4689 29.2195 179.2053 86 L 3.8993 8.0781 118.7891 57.5190 41.5404 179.3463 87 A 3.9009 8.2123 120.8775 55.2260 18.3078 179.5887 88 A 3.8763 8.0150 119.1456 55.2739 18.2087 179.8776 89 L 3.6831 7.6365 116.5080 57.4327 41.7378 178.9330 90 L 4.2617 7.8444 116.1738 54.0567 41.9324 176.7083 91 E 3.7661 7.6055 116.9015 57.3951 27.4109 174.3928 92 V 4.4264 7.6554 111.0606 59.4325 34.6207 176.3705 93 S 4.4890 8.1044 116.6916 57.9266 64.9388 175.7794 94 R 3.8556 8.3888 122.6477 59.6103 29.8245 179.1214 95 Q 3.8898 7.9752 118.7170 59.3522 28.7523 178.3685 96 T 2.5030 7.4237 116.1067 66.3107 68.6697 176.3694 97 I 3.6077 7.4562 120.4412 64.0024 38.1554 177.3921 98 N 5.2394 7.6876 119.5040 56.2242 38.7440 177.1404 99 G 3.6827 8.0140 107.2165 47.7070 0.0000 175.8453 100 I 3.9413 7.3354 121.8769 64.2219 37.0286 178.1702 101 E 3.9875 8.1971 119.4197 58.9003 29.0746 178.5545 102 K 4.4598 7.5025 114.6845 55.1253 32.5489 176.0365 103 N 4.4016 8.0773 115.9336 53.6726 36.7633 174.7350 104 K 4.4225 8.0694 118.0918 57.5779 33.4069 175.6667 105 Y 4.2478 8.0372 117.4700 57.6140 39.0716 171.6116 106 N 4.6209 8.2710 122.1419 53.8432 39.7515 173.5429 107 P 4.6344 0.0000 0.0000 62.5352 28.6889 174.7514 108 S 4.2768 7.9587 115.4444 57.9060 63.0515 175.2607 109 L 4.0681 8.4402 128.1722 57.4516 41.8620 178.3077 110 Q 3.9613 8.0984 119.5765 59.1935 29.0092 177.9277 111 L 4.0419 7.7453 119.1410 57.9562 41.6713 179.4949 112 A 4.2048 7.9769 120.1597 54.9514 18.6129 179.2471 113 L 4.0226 8.6939 119.6322 58.2302 42.1592 179.4160 114 K 4.1187 8.2903 118.8663 60.0011 32.4913 179.1938 115 I 3.9070 7.8541 120.4576 64.2166 36.9300 178.1481 116 A 4.1112 8.3893 121.7299 55.2508 18.0811 179.1594 117 Y 3.8818 7.9335 117.5872 61.1591 38.7463 177.6715 118 Y 4.0856 8.2837 116.5566 61.0877 38.0550 177.5386 119 L 4.1185 8.2869 117.6681 55.0834 42.2179 176.1983 120 N 4.1370 7.4750 116.3276 53.8865 36.8975 172.2357 121 T 4.6564 8.7481 115.2463 60.6893 73.6386 172.4603 122 P 4.4793 0.0000 0.0000 62.5410 32.2029 177.2910 123 L 4.2321 8.8478 120.8968 58.3025 41.3025 179.6275 124 E 3.4560 8.4096 117.3508 59.3429 29.4602 178.4108 125 D 4.3516 7.8812 117.2866 57.0218 41.4886 177.6794 126 I 3.6734 7.5626 119.8238 63.7412 37.4710 175.3391 127 F 5.2170 8.4981 117.5004 55.5368 41.6607 174.6486 128 Q 4.1737 9.3832 124.4722 53.8156 31.0059 173.9700 129 W 5.1904 7.7515 123.4182 54.9735 30.4829 175.8844 130 Q 4.6060 9.4606 123.7407 53.6956 27.7202 173.5383 131 P 4.4813 0.0000 0.0000 64.7425 32.2165 176.6250 132 E 4.2691 7.9095 121.0118 56.6272 30.5342 174.8735 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 67 M 8.16 4.58 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 68 I 8.50 4.82 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.22 1.09 0.00 0.00 69 I 9.50 4.59 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.92 0.00 0.00 70 N 8.94 5.11 0.00 2.92 2.86 0.00 0.00 7.22 7.96 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 71 N 8.56 4.92 0.00 2.77 2.63 0.00 0.00 6.55 6.77 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 72 L 8.32 3.67 0.00 1.67 1.59 0.88 0.23 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 73 K 7.95 3.90 0.00 2.18 2.03 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 L 7.82 3.94 0.00 1.67 1.80 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.60 3.71 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 0.89 0.00 0.00 76 R 7.78 3.95 0.00 1.87 2.12 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 77 E 7.95 4.11 0.00 2.07 1.99 0.00 0.00 0.00 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 2.42 0.00 78 K 8.15 4.05 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.65 7.81 79 K 7.75 4.60 0.00 1.87 1.77 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.58 7.81 80 K 8.17 4.63 0.00 1.78 1.75 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.37 7.81 81 I 7.74 4.48 1.86 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 1.29 0.68 0.88 0.00 0.00 82 S 8.31 4.57 0.00 3.84 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 83 Q 8.41 3.95 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 84 S 7.97 4.09 0.00 3.86 3.92 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 0.00 0.00 0.00 85 E 8.07 3.93 0.00 2.11 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 2.37 2.32 0.00 86 L 8.08 3.90 0.00 1.82 1.67 0.90 0.73 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 87 A 8.21 3.90 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 88 A 8.01 3.88 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 89 L 7.64 3.68 0.00 1.40 0.79 0.81 0.65 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 90 L 7.84 4.26 0.00 1.57 1.73 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.61 3.77 0.00 2.12 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 0.00 2.24 2.43 0.00 92 V 7.66 4.43 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 0.76 0.00 0.00 0.93 0.00 0.00 93 S 8.10 4.49 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.39 3.86 0.00 1.81 1.94 0.00 3.11 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 95 Q 7.98 3.89 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 96 T 7.42 2.50 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 1.21 0.00 0.00 97 I 7.46 3.61 1.81 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 1.37 1.18 1.03 0.00 0.00 98 N 7.69 5.24 0.00 2.93 2.71 0.00 0.00 7.17 8.03 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 99 G 8.01 3.68 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 0.00 0.00 0.00 100 I 7.34 3.94 2.03 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.01 1.08 0.00 0.00 101 E 8.20 3.99 0.00 2.20 1.99 0.00 0.00 0.00 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 2.56 0.00 102 K 7.50 4.46 0.00 2.00 1.87 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 103 N 8.08 4.40 0.00 3.04 3.09 0.00 0.00 6.75 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.07 4.42 0.00 1.93 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 Y 8.04 4.25 0.00 2.95 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 0.00 106 N 8.27 4.62 0.00 2.84 2.88 0.00 0.00 7.13 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 0.00 107 P 0.00 4.63 0.00 1.96 1.92 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 108 S 7.96 4.28 0.00 3.97 3.87 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 0.00 109 L 8.44 4.07 0.00 1.61 1.63 0.98 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.10 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 111 L 7.75 4.04 0.00 2.06 1.79 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.98 4.20 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.02 0.00 1.99 1.92 0.98 0.59 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 0.00 114 K 8.29 4.12 0.00 2.36 2.12 0.00 1.47 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.87 1.73 7.81 115 I 7.85 3.91 2.17 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 1.52 1.05 0.96 0.00 0.00 116 A 8.39 4.11 1.59 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 0.00 0.00 117 Y 7.93 3.88 0.00 3.05 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 0.00 118 Y 8.28 4.09 0.00 3.03 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 0.00 119 L 8.29 4.12 0.00 1.76 1.74 0.93 1.29 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 0.00 120 N 7.47 4.14 0.00 2.63 2.74 0.00 0.00 6.79 7.60 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 0.00 121 T 8.75 4.66 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 1.21 0.00 0.00 122 P 0.00 4.48 0.00 2.27 2.23 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 123 L 8.85 4.23 0.00 2.05 2.23 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.41 3.46 0.00 1.95 1.94 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 2.87 2.67 0.00 125 D 7.88 4.35 0.00 2.63 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.56 3.67 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.31 0.00 0.00 127 F 8.50 5.22 0.00 3.17 3.12 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 0.00 128 Q 9.38 4.17 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 129 W 7.75 5.19 0.00 3.28 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 9.46 4.61 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 131 P 0.00 4.48 0.00 2.09 2.13 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 132 E 7.91 4.27 0.00 1.93 1.79 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 2.23 2.32 0.00