NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4500 8.3044 118.1944 54.7347 32.6750 175.0627 102 V 3.4412 8.5195 119.9697 64.9790 31.5866 174.6724 103 I 4.4639 7.8362 122.2654 59.3372 39.9751 174.4515 104 A 4.4700 8.9779 129.2728 51.0964 19.9995 178.2128 105 T 3.8964 8.4623 115.8939 67.1139 68.1560 176.6870 106 D 4.6008 8.0292 118.8970 56.7296 40.9835 177.4842 107 D 4.5858 7.9914 117.9437 55.3966 41.3530 176.7393 108 L 4.7080 7.6448 119.0337 55.7128 44.0041 176.0590 109 E 5.2646 8.3714 114.0811 55.1369 33.1538 174.5666 110 T 4.8003 9.0058 109.9176 59.8764 73.0289 173.2056 111 T 4.1808 8.5053 119.0133 63.8790 69.2843 173.8202 112 C 4.3154 8.9956 127.9023 59.0975 31.9740 172.6734 113 P 4.4415 0.0000 0.0000 64.7151 31.6219 176.9519 114 N 4.4878 8.1405 117.3758 55.6341 39.2917 174.7556 115 C 4.7605 7.7766 109.5821 56.6262 30.7306 173.4502 116 N 4.1331 9.3553 116.1858 54.4613 36.2315 175.1398 117 G 4.0924 8.3513 107.4611 45.5317 0.0000 176.7355 118 S 3.9634 7.7258 113.9613 59.5965 63.0653 175.8338 119 G 3.9355 8.4206 107.4438 45.3034 0.0000 172.5664 120 R 4.9418 7.5556 116.9992 54.5763 33.8122 175.9324 121 E 4.7037 9.1621 119.4863 54.6363 30.2981 173.9698 122 E 4.1727 7.8927 118.7408 56.1848 30.5071 175.7346 123 P 4.8071 0.0000 0.0000 63.1526 32.3672 175.2560 124 E 4.8025 7.8491 117.4687 54.2492 32.8992 174.0164 125 P 4.5358 0.0000 0.0000 62.5685 31.9965 175.9017 126 C 4.1574 8.7740 122.0404 59.0924 31.7954 172.9736 127 P 4.3213 0.0000 0.0000 64.9081 31.3611 177.2310 128 K 4.1807 7.9735 119.2787 57.9446 32.5791 176.5754 129 C 4.7508 7.6887 110.8098 56.4550 30.6072 173.4138 130 L 3.7052 9.1096 119.7684 56.4744 39.9756 175.3210 131 G 4.0038 7.9284 103.9102 45.3913 0.0000 175.4566 132 K 4.0058 8.1442 119.4181 57.3354 32.4064 178.5773 133 G 4.0533 8.5199 105.7298 46.2204 0.0000 172.7604 134 V 5.1764 7.3002 110.9429 59.5090 35.9876 174.4653 135 I 4.7112 8.7474 115.2519 59.0205 41.0826 174.5705 136 L 4.8821 8.4124 122.8210 54.6027 42.9353 177.0021 137 T 4.3625 8.4424 113.0194 60.6213 71.0383 175.6092 138 A 3.9717 8.7035 122.5024 55.5236 18.3438 179.4684 139 Q 4.0058 8.1294 117.5886 59.3424 29.2173 178.5921 140 G 3.6283 8.0611 106.5112 47.8004 0.0000 175.6982 141 S 4.1898 8.2880 115.4744 61.2524 62.4512 176.4835 142 T 3.8965 7.8279 118.5863 66.5355 68.1705 176.6297 143 L 4.0610 7.7986 120.5236 57.8179 41.6482 179.2372 144 L 3.9614 7.8694 120.0898 58.5997 42.0312 178.4411 145 H 4.0803 8.3995 118.0274 59.1626 29.7549 177.0276 146 F 4.3095 8.3187 122.1520 61.3793 39.3047 177.1005 147 I 3.3537 8.0580 119.6012 64.3401 36.8659 178.5166 148 K 3.8554 8.1568 119.3601 59.3152 31.6421 179.2339 149 K 3.6407 7.6844 118.6059 59.5867 32.2262 177.8949 150 H 4.4570 7.6482 113.4047 56.5659 29.2163 176.3481 151 I 4.2396 7.7699 120.5178 60.2380 38.2230 176.6433 152 H 3.5605 8.2973 113.2216 56.6333 28.2964 174.5717 153 E 4.2721 8.7573 123.4923 56.3514 29.7757 175.5886 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 101 M 8.30 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 102 V 8.52 3.44 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 0.78 0.00 0.00 0.93 0.00 0.00 103 I 7.84 4.46 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 1.34 0.78 0.91 0.00 0.00 104 A 8.98 4.47 1.29 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 0.00 0.00 105 T 8.46 3.90 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 0.00 106 D 8.03 4.60 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.59 0.00 2.82 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 0.00 108 L 7.64 4.71 0.00 1.73 1.69 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.37 5.26 0.00 2.08 1.87 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 2.36 2.25 0.00 110 T 9.01 4.80 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 0.00 111 T 8.51 4.18 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 1.23 0.00 0.00 112 C 9.00 4.32 0.00 3.03 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 0.00 113 P 0.00 4.44 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 114 N 8.14 4.49 0.00 2.69 2.88 0.00 0.00 6.78 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 0.00 115 C 7.78 4.76 0.00 3.15 3.13 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 0.00 116 N 9.36 4.13 0.00 2.87 2.90 0.00 0.00 7.20 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 0.00 117 G 8.35 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 0.00 0.00 0.00 0.00 118 S 7.73 3.96 0.00 4.01 4.02 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 0.00 119 G 8.42 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.56 4.94 0.00 1.81 1.90 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 121 E 9.16 4.70 0.00 1.89 1.76 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 2.20 2.28 0.00 122 E 7.89 4.17 0.00 1.99 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 2.33 2.30 0.00 123 P 0.00 4.81 0.00 2.17 2.12 0.00 3.70 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 1.94 1.97 0.00 124 E 7.85 4.80 0.00 1.99 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 2.20 2.34 0.00 125 P 0.00 4.54 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 C 8.77 4.16 0.00 3.01 2.94 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 0.00 0.00 0.00 127 P 0.00 4.32 0.00 2.22 2.17 0.00 3.91 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 1.98 1.95 0.00 128 K 7.97 4.18 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.42 7.81 129 C 7.69 4.75 0.00 3.21 3.06 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 0.00 0.00 0.00 130 L 9.11 3.71 0.00 1.71 1.72 0.92 1.09 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 0.00 131 G 7.93 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 0.00 0.00 0.00 132 K 8.14 4.01 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 133 G 8.52 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 0.00 0.00 0.00 0.00 134 V 7.30 5.18 2.17 0.00 0.00 0.00 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 0.99 0.00 0.00 135 I 8.75 4.71 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 1.36 1.34 0.91 0.00 0.00 136 L 8.41 4.88 0.00 1.56 1.64 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.44 4.36 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 0.00 138 A 8.70 3.97 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 0.00 139 Q 8.13 4.01 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 140 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.29 4.19 0.00 3.98 4.04 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 0.00 0.00 0.00 142 T 7.83 3.90 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 143 L 7.80 4.06 0.00 1.78 1.79 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.87 3.96 0.00 1.89 1.76 0.93 1.00 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 0.00 145 H 8.40 4.08 0.00 3.39 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.32 4.31 0.00 3.20 3.35 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 0.00 147 I 8.06 3.35 1.87 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 1.88 0.84 0.87 0.00 0.00 148 K 8.16 3.86 0.00 1.76 1.78 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 149 K 7.68 3.64 0.00 1.66 1.76 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 1.32 7.81 150 H 7.65 4.46 0.00 2.77 3.15 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.77 4.24 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.95 0.00 0.00 152 H 8.30 3.56 0.00 3.21 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.76 4.27 0.00 1.83 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 2.22 2.35 0.00