NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 G 3.9542 8.3431 109.7364 45.3501 0.0000 171.0044 85 G 3.5664 8.5105 110.5354 44.1796 0.0000 172.2536 86 S 4.5156 8.9879 114.8334 57.1128 67.1880 171.0516 87 K 4.7271 8.0703 120.6749 53.3024 35.0493 174.7163 88 P 4.4391 0.0000 0.0000 63.1349 31.7115 176.6668 89 K 4.6320 8.5338 118.2732 56.1088 34.5513 177.6546 90 V 4.3107 7.6889 113.7135 62.2760 33.7698 175.6398 91 A 4.3591 7.8871 122.7001 51.9084 18.5894 178.0432 92 T 3.9977 7.8313 110.3859 62.9217 70.6631 171.8446 93 P 4.3559 0.0000 0.0000 65.9201 31.2770 179.2548 94 K 3.9315 7.8798 116.7044 59.4612 32.1789 179.4556 95 V 3.5142 7.4885 118.6861 65.9381 30.9253 178.2705 96 V 3.5860 8.2890 118.4008 65.6081 31.2667 177.6272 97 E 3.9559 7.8500 119.0646 58.8531 29.4379 178.7781 98 K 3.7405 7.8485 118.6322 59.2276 32.0288 179.2753 99 I 3.3021 7.4473 119.8436 64.3343 36.8865 178.3355 100 A 3.9870 7.5388 120.6652 55.0939 18.2770 179.3270 101 E 3.9541 8.0301 117.9310 59.5271 29.5566 178.6315 102 Y 4.3774 8.2886 117.4113 60.7305 37.7278 177.8860 103 K 4.1403 7.9307 118.1316 58.3434 32.2450 179.4208 104 R 4.0759 7.4363 118.4391 59.2300 30.1957 178.3484 105 Q 4.4471 7.5778 116.0754 57.5478 29.4152 177.6783 106 N 4.6331 7.8544 122.8323 51.2698 37.9310 173.1729 107 P 4.3084 0.0000 0.0000 65.0981 31.6034 177.5038 108 T 4.1131 7.5810 106.9218 61.9183 68.8606 174.6882 109 M 4.1066 7.3616 121.8104 55.5628 32.7111 176.0261 110 F 4.8258 9.0698 120.9889 56.0832 41.2466 176.9325 111 A 4.0593 9.0409 124.9950 55.4745 18.1918 180.2830 112 W 4.3217 8.4903 114.3822 59.8041 28.0330 178.1905 113 E 3.3349 7.2111 119.5286 58.9204 28.6861 179.1764 114 I 3.8508 7.5383 119.5048 64.3633 36.6864 178.2931 115 R 3.9591 8.0478 119.4214 59.2327 29.8808 178.4093 116 D 4.4196 7.9385 118.6691 57.5415 40.8775 179.0017 117 R 3.8956 7.9530 118.5296 59.0308 29.6064 178.7307 118 L 4.3566 8.5345 119.9840 57.3235 41.7405 178.0831 119 L 4.3303 7.3069 117.6241 56.5733 43.0913 177.2881 120 A 4.1318 7.9877 121.9157 55.3396 18.4997 178.9246 121 E 4.1165 8.5989 111.4883 56.3810 29.1636 177.0572 122 R 3.8015 7.4686 116.7998 57.2973 28.1864 177.3574 123 V 3.9970 7.8524 116.1280 64.3235 32.3560 175.1172 124 C 4.8095 7.4731 114.7701 58.5091 32.2788 173.4646 125 D 4.6599 8.4401 122.2868 53.5614 41.3483 177.1708 126 N 4.1971 8.7611 119.8637 55.7578 38.9373 174.9161 127 D 4.9472 7.9681 114.7544 55.0179 42.0911 176.2159 128 T 4.5232 8.7083 115.3428 62.7898 70.3761 174.4940 129 V 3.7466 7.7053 122.1836 61.7323 32.0810 173.9051 130 P 4.4064 0.0000 0.0000 62.6230 32.0113 176.8307 131 S 4.5078 8.3322 116.0383 57.7370 65.5078 175.2913 132 V 3.6306 8.4286 121.6999 66.6025 31.0803 178.4197 133 S 4.1574 8.0415 114.1962 61.6754 62.6687 176.6735 134 S 4.1486 7.8510 117.6022 61.6316 62.5669 176.6889 135 I 3.6279 7.9569 122.5718 64.6698 36.8945 178.2817 136 N 4.4350 8.2500 117.0302 55.8845 38.4438 177.6344 137 R 3.9228 7.9875 120.5739 59.2991 29.9669 178.5081 138 I 3.6995 8.2383 119.3885 64.5571 37.2062 178.1353 139 I 3.8505 7.6610 119.2888 64.5095 37.0133 178.5394 140 R 4.0889 8.0643 117.5588 58.3040 29.9332 177.4258 141 T 4.3170 7.4973 119.5259 63.5232 68.9326 173.9824 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 84 G 8.34 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 85 G 8.51 3.57 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 0.00 0.00 0.00 86 S 8.99 4.52 0.00 3.79 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 87 K 8.07 4.73 0.00 1.73 1.66 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.41 7.81 88 P 0.00 4.44 0.00 2.03 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 89 K 8.53 4.63 0.00 1.69 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.38 7.81 90 V 7.69 4.31 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 0.74 0.00 0.00 0.99 0.00 0.00 91 A 7.89 4.36 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.00 4.23 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 1.20 0.00 0.00 93 P 0.00 4.36 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 94 K 7.88 3.93 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 95 V 7.49 3.51 2.24 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 0.94 0.00 0.00 0.95 0.00 0.00 96 V 8.29 3.59 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 0.90 0.00 0.00 0.96 0.00 0.00 97 E 7.85 3.96 0.00 2.24 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 2.26 2.31 0.00 98 K 7.85 3.74 0.00 1.67 1.10 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.53 7.81 99 I 7.45 3.30 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.87 0.00 0.00 100 A 7.54 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.03 3.95 0.00 2.15 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 2.44 2.39 0.00 102 Y 8.29 4.38 0.00 3.09 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 0.00 103 K 7.93 4.14 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.62 7.81 104 R 7.44 4.08 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 105 Q 7.58 4.45 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 106 N 7.85 4.63 0.00 2.70 2.86 0.00 0.00 7.09 7.65 0.00 0.00 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 4.31 0.00 2.02 2.13 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 108 T 7.58 4.11 4.05 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 0.00 0.00 1.13 0.00 0.00 109 M 7.36 4.11 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.33 0.00 110 F 9.07 4.83 0.00 2.75 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 0.00 111 A 9.04 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.49 4.32 0.00 3.68 3.37 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 0.00 113 E 7.21 3.33 0.00 1.73 1.53 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 1.47 1.47 0.00 114 I 7.54 3.85 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 1.01 0.00 0.00 115 R 8.05 3.96 0.00 2.01 2.16 0.00 3.19 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 116 D 7.94 4.42 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.90 0.00 1.60 1.55 0.00 2.93 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 118 L 8.53 4.36 0.00 2.23 1.74 0.78 0.69 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 0.00 119 L 7.31 4.33 0.00 1.86 1.94 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.99 4.13 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 0.00 121 E 8.60 4.12 0.00 2.02 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 2.34 2.51 0.00 122 R 7.47 3.80 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 123 V 7.85 4.00 2.29 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 0.78 0.00 0.00 1.07 0.00 0.00 124 C 7.47 4.81 0.00 3.11 2.85 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 0.00 0.00 0.00 0.00 125 D 8.44 4.66 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.20 0.00 2.69 2.86 0.00 0.00 6.85 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 7.97 4.95 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.71 4.52 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 129 V 7.71 3.75 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 0.83 0.00 0.00 1.00 0.00 0.00 130 P 0.00 4.41 0.00 2.09 1.98 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 131 S 8.33 4.51 0.00 4.07 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 0.00 132 V 8.43 3.63 2.14 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 1.15 0.00 0.00 1.05 0.00 0.00 133 S 8.04 4.16 0.00 3.92 3.91 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 0.00 0.00 0.00 134 S 7.85 4.15 0.00 4.07 3.91 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 0.00 0.00 0.00 135 I 7.96 3.63 2.06 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 1.54 0.82 0.94 0.00 0.00 136 N 8.25 4.43 0.00 2.92 2.89 0.00 0.00 6.68 7.68 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 0.00 137 R 7.99 3.92 0.00 1.97 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 138 I 8.24 3.70 2.01 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 1.78 0.90 0.88 0.00 0.00 139 I 7.66 3.85 2.02 0.00 0.00 0.88 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 0.73 0.92 0.00 0.00 140 R 8.06 4.09 0.00 1.94 2.00 0.00 3.14 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 141 T 7.50 4.32 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