NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 95 I 4.1653 8.1245 118.5496 58.1078 38.6646 176.3239 96 E 4.4745 7.7861 115.5816 56.1343 32.5465 179.6950 97 T 4.0679 8.1487 110.8174 64.7099 69.7318 181.8585 98 Q 4.1780 7.9724 118.6736 57.3763 28.2450 180.0326 99 M 4.2285 7.9462 114.0042 57.5385 32.0543 176.7318 100 D 4.6289 7.7904 119.6110 56.1886 42.9357 178.4074 101 R 4.0252 7.4431 119.0597 59.9499 29.6558 180.8925 102 V 4.3779 7.3954 116.3216 65.6826 33.3303 177.5951 103 V 3.7529 7.3614 119.7381 66.3122 31.3295 178.4331 104 K 4.0969 9.2312 127.8189 60.0302 31.4380 183.3563 105 E 4.1800 8.1673 118.9905 61.4505 29.8311 181.0178 106 M 4.4281 8.0404 120.7018 59.3747 32.3317 179.2958 107 R 4.1778 8.0823 123.0237 62.0090 29.5393 181.3074 108 R 4.2922 8.0324 119.6721 61.1174 29.3451 182.1572 109 Q 4.2458 8.4134 117.1704 59.1349 28.7033 178.1192 110 L 3.9836 7.8331 121.0398 57.9247 42.2007 178.4852 111 E 3.8922 7.9930 118.8872 59.7395 29.5387 178.7402 112 M 4.0999 8.1102 118.6184 58.4176 32.0377 178.8310 113 I 3.7069 8.2614 120.4712 64.3944 37.3366 177.9992 114 D 4.3256 8.2576 119.0057 57.2828 40.5952 178.3976 115 K 4.0167 8.1671 118.8979 59.3085 31.9019 179.3323 116 L 4.0521 7.6424 119.6463 57.9417 41.5066 179.5711 117 T 3.9125 7.7233 115.5705 66.7658 68.4567 176.9772 118 T 3.9870 7.9066 111.0491 64.2842 68.8762 176.7393 119 R 4.0110 7.6436 120.4438 58.6775 30.0178 178.2873 120 E 4.2662 8.1599 121.0022 58.5004 29.5379 178.9722 121 I 3.6943 7.8696 120.0589 64.7055 36.8223 177.2305 122 E 3.7981 8.4550 119.3752 60.0395 28.9277 179.3811 123 Q 3.8845 8.4440 117.5084 58.7404 28.8950 180.6240 124 V 3.6914 8.3913 122.9990 66.5938 31.7303 178.3322 125 E 3.6728 8.4170 117.2274 60.6027 29.6633 180.8876 126 L 4.1306 8.1167 118.3594 57.8437 41.9849 180.2354 127 L 4.0327 8.5650 119.1830 57.5844 41.6667 179.1293 128 K 3.8965 8.0966 117.9136 59.8785 31.9894 179.1118 129 R 3.9437 8.0891 117.8158 59.4839 29.8600 179.0374 130 I 3.7041 7.5495 118.4528 64.6722 37.2858 177.7358 131 Y 4.2518 8.4752 120.7255 60.8754 38.5445 177.3415 132 D 4.2567 8.4135 120.1301 57.3445 41.0198 178.9191 133 K 3.9027 8.2630 118.9195 59.3321 30.5636 179.1075 134 L 4.0747 8.0166 119.3718 57.4452 41.4110 179.2996 135 T 3.9300 7.1760 115.0357 65.7278 68.5842 176.3556 136 V 4.0361 7.1866 120.1645 65.3646 31.6689 179.2726 137 R 4.3061 7.6349 115.8418 57.0273 28.5814 179.2951 138 T 4.2852 8.3082 117.7417 62.0208 69.5679 176.6841 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 95 I 8.12 4.17 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 1.27 1.21 0.91 0.00 0.00 96 E 7.79 4.47 0.00 1.93 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 2.20 1.94 0.00 97 T 8.15 4.07 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 98 Q 7.97 4.18 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 99 M 7.95 4.23 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 100 D 7.79 4.63 0.00 2.84 2.64 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 0.00 101 R 7.44 4.03 0.00 1.90 1.86 0.00 3.22 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 102 V 7.40 4.38 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 1.01 0.00 0.00 0.96 0.00 0.00 103 V 7.36 3.75 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 0.93 0.00 0.00 1.03 0.00 0.00 104 K 9.23 4.10 0.00 1.68 1.76 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 105 E 8.17 4.18 0.00 2.05 1.93 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 2.24 1.97 0.00 106 M 8.04 4.43 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 107 R 8.08 4.18 0.00 1.89 1.93 0.00 3.32 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 108 R 8.03 4.29 0.00 1.85 1.97 0.00 3.23 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 109 Q 8.41 4.25 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 110 L 7.83 3.98 0.00 1.75 1.77 0.92 0.87 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 0.00 111 E 7.99 3.89 0.00 2.23 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 2.30 2.39 0.00 112 M 8.11 4.10 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 113 I 8.26 3.71 2.08 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 1.40 0.80 0.91 0.00 0.00 114 D 8.26 4.33 0.00 2.84 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 0.00 115 K 8.17 4.02 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 116 L 7.64 4.05 0.00 1.74 1.71 0.92 0.78 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 0.00 117 T 7.72 3.91 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 0.00 118 T 7.91 3.99 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 1.24 0.00 0.00 119 R 7.64 4.01 0.00 2.06 2.01 0.00 3.12 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 120 E 8.16 4.27 0.00 2.10 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 2.30 2.34 0.00 121 I 7.87 3.69 2.00 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 1.40 0.44 0.91 0.00 0.00 122 E 8.46 3.80 0.00 2.03 1.93 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 2.32 2.40 0.00 123 Q 8.44 3.88 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 124 V 8.39 3.69 2.07 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 0.93 0.00 0.00 0.92 0.00 0.00 125 E 8.42 3.67 0.00 2.00 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 2.25 2.28 0.00 126 L 8.12 4.13 0.00 1.88 1.80 0.93 0.66 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 0.00 127 L 8.56 4.03 0.00 1.78 1.70 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.10 3.90 0.00 1.93 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.71 7.81 129 R 8.09 3.94 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 130 I 7.55 3.70 2.08 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 1.43 0.53 0.96 0.00 0.00 131 Y 8.48 4.25 0.00 3.08 3.26 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 0.00 0.00 0.00 132 D 8.41 4.26 0.00 2.90 2.71 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 0.00 133 K 8.26 3.90 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.57 7.81 134 L 8.02 4.07 0.00 1.70 1.55 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.18 3.93 4.09 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 1.08 0.00 0.00 136 V 7.19 4.04 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 0.97 0.00 0.00 0.93 0.00 0.00 137 R 7.63 4.31 0.00 1.91 1.79 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 138 T 8.31 4.29 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