NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 91 M 4.4100 8.3049 118.1957 55.2538 31.9122 174.9243 92 D 4.6369 8.4294 123.6950 51.0531 42.6767 174.9028 93 N 4.5815 9.1707 118.2138 54.0517 39.2317 175.3298 94 R 4.3166 7.6654 118.1384 55.7063 31.2257 175.8539 95 Q 4.3491 8.7106 122.2510 53.9765 32.0926 174.6666 96 F 5.1864 8.4219 121.5101 56.0916 40.5071 174.8173 97 L 4.6561 8.9789 127.5896 53.3498 43.8290 174.9012 98 S 5.8029 8.7186 120.7661 55.5758 64.8687 172.6805 99 L 4.9484 8.4755 128.2510 53.5910 45.5161 175.6113 100 T 4.6554 8.7591 115.9161 60.7771 71.4415 174.7215 101 G 3.8488 8.8232 107.6228 45.3798 0.0000 172.9041 102 V 4.1319 7.7031 120.0063 62.2988 31.5930 175.3123 103 S 4.7140 8.7265 122.1246 58.7159 64.8707 174.2087 104 K 4.5572 7.8099 120.3430 54.8642 35.6533 174.8137 105 V 4.4824 8.5122 127.5858 62.0095 31.8078 175.0387 106 Q 4.5501 8.8497 127.2873 56.6969 30.3308 176.1389 107 S 4.5884 7.6620 111.2884 57.3073 65.9881 173.8090 108 F 4.9663 8.9088 128.6072 56.7779 41.5213 172.8582 109 D 4.6326 8.5299 125.6685 51.2692 44.2467 174.2552 110 P 4.5358 0.0000 0.0000 63.8244 31.6138 176.8895 111 K 4.8828 8.4640 118.8635 55.2152 35.0782 175.4415 112 E 4.9729 7.9620 119.6357 55.3987 33.8086 173.9850 113 I 4.9659 8.7479 128.1510 59.4807 41.0856 174.4110 114 L 5.1077 9.0104 127.6747 53.3068 43.5359 175.2493 115 L 4.8704 8.8475 125.4689 52.7218 44.3951 175.6986 116 E 4.6077 9.6351 126.7753 55.9372 30.5924 175.4439 117 T 5.4719 8.8938 118.5287 59.1561 71.9456 175.2318 118 I 3.6186 8.4309 121.4440 64.6842 36.9602 177.1344 119 Q 4.5151 7.4707 114.4525 54.7072 29.9200 174.8981 120 G 3.8769 7.5054 106.5253 45.2769 0.0000 172.4798 121 V 4.8255 8.4713 119.4359 61.0495 33.1217 174.4296 122 L 4.4789 9.3069 130.8798 53.8432 43.9071 174.8756 123 S 5.0068 9.2353 122.0637 56.9611 64.1370 172.8518 124 I 4.7365 8.8554 130.1849 59.9385 38.5311 175.0560 125 K 4.9477 9.6535 127.6224 53.1240 35.1185 177.0780 126 G 4.3393 7.9405 111.6425 45.9781 0.0000 172.0766 127 E 4.8693 8.8246 121.0845 55.9669 32.8386 175.2433 128 K 3.9884 8.5332 117.4279 57.7854 30.1762 176.3098 129 L 4.5600 7.9219 118.9470 54.0455 39.9293 177.0764 130 G 3.9602 8.6002 112.5213 45.1241 0.0000 167.5784 131 I 3.7676 9.0228 125.9655 60.8014 36.9165 173.4717 132 K 4.4917 8.1263 124.0150 54.9637 35.0654 175.2687 133 H 4.4229 8.6352 122.7082 55.2058 28.2714 175.4042 134 L 4.0601 8.4593 125.8491 56.3749 41.9185 177.3037 135 D 4.9283 7.8054 117.9506 52.3511 43.0030 177.2930 136 L 4.2795 8.2548 126.0672 53.5107 39.4949 176.3114 137 K 3.8345 7.7309 122.2868 58.6383 32.9044 176.9928 138 A 4.4833 7.7814 119.4479 51.3227 19.4543 176.6786 139 G 3.9267 7.8977 105.3850 47.7180 0.0000 173.5174 140 Q 5.2775 7.9994 115.6319 53.8013 31.8842 174.7913 141 V 4.5924 8.9140 120.3943 60.1144 34.4664 174.5914 142 E 5.1338 8.9116 121.7355 55.1245 32.4787 175.0966 143 V 4.9367 9.0441 118.1560 59.2861 36.1654 174.7165 144 E 5.0375 10.1414 120.2192 53.6634 32.7106 176.3412 145 G 4.3491 7.1007 107.8754 46.0717 0.0000 171.0678 146 L 4.6807 7.3978 118.6631 53.3155 41.3713 174.3259 147 I 4.2299 7.8378 115.7378 60.4396 37.9615 175.3041 148 D 4.6709 9.1964 127.7045 55.7603 42.3515 176.4893 149 A 4.7039 7.7015 118.3588 50.2625 22.9879 175.0496 150 L 4.9450 8.5469 121.2256 52.9868 44.0961 176.1282 151 V 4.3241 8.8248 125.2988 61.3826 33.5809 174.0896 152 Y 5.3145 8.4832 125.2486 55.6829 40.2882 173.9440 153 P 4.4913 0.0000 0.0000 62.2076 32.0398 176.5035 154 L 4.1349 8.5695 126.0644 54.3183 42.9259 176.2663 155 E 3.8561 8.7558 121.7189 56.7564 29.5638 175.9731 156 H 4.5378 8.4673 117.4065 57.1871 28.3198 177.2557 157 H 3.7971 9.1496 128.0020 56.6905 29.8552 178.4281 158 H 3.8554 10.7709 130.8470 57.1255 29.3799 175.4337 159 H 4.7092 6.5776 118.8834 55.4802 29.1218 176.0707 160 H 4.1872 8.5470 115.6171 56.3842 29.0551 173.8935 161 H 4.3961 7.6982 122.4632 56.6635 29.9206 172.8203 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 91 M 8.30 4.41 0.00 2.14 2.18 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 2.57 0.00 92 D 8.43 4.64 0.00 2.72 2.61 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 0.00 0.00 0.00 0.00 93 N 9.17 4.58 0.00 2.75 2.90 0.00 0.00 6.05 7.63 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 94 R 7.67 4.32 0.00 1.52 1.54 0.00 3.12 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 95 Q 8.71 4.35 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 96 F 8.42 5.19 0.00 2.95 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 97 L 8.98 4.66 0.00 1.75 1.55 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.72 5.80 0.00 3.93 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.95 0.00 1.77 1.45 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.76 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 1.22 0.00 0.00 101 G 8.82 3.85 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 0.00 0.00 0.00 102 V 7.70 4.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 103 S 8.73 4.71 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.56 0.00 1.83 1.71 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.45 7.81 105 V 8.51 4.48 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 0.90 0.00 0.00 0.92 0.00 0.00 106 Q 8.85 4.55 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.38 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 107 S 7.66 4.59 0.00 3.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 4.97 0.00 2.98 2.92 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 0.00 109 D 8.53 4.63 0.00 2.59 2.48 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 0.00 110 P 0.00 4.54 0.00 2.06 2.17 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.78 0.00 111 K 8.46 4.88 0.00 1.76 1.81 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.12 7.81 112 E 7.96 4.97 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 113 I 8.75 4.97 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.51 1.13 0.00 0.00 114 L 9.01 5.11 0.00 1.67 1.62 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.85 4.87 0.00 1.58 1.61 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.64 4.61 0.00 2.01 1.98 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 2.32 2.55 0.00 117 T 8.89 5.47 4.38 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 1.37 0.00 0.00 118 I 8.43 3.62 1.85 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 1.42 0.54 0.90 0.00 0.00 119 Q 7.47 4.52 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 120 G 7.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.47 4.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 122 L 9.31 4.48 0.00 1.33 1.40 0.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 123 S 9.24 5.01 0.00 3.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.86 4.74 1.82 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 1.14 0.69 0.86 0.00 0.00 125 K 9.65 4.95 0.00 1.60 1.64 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.32 7.81 126 G 7.94 4.34 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 0.00 127 E 8.82 4.87 0.00 2.06 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 2.16 2.24 0.00 128 K 8.53 3.99 0.00 2.00 1.89 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 129 L 7.92 4.56 0.00 1.58 1.50 0.99 0.85 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 0.00 130 G 8.60 3.96 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 0.00 0.00 0.00 131 I 9.02 3.77 1.96 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 1.37 0.91 0.98 0.00 0.00 132 K 8.13 4.49 0.00 1.18 1.30 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.04 0.95 7.81 133 H 8.64 4.42 0.00 3.18 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.46 4.06 0.00 1.60 1.68 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.81 4.93 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.25 4.28 0.00 1.62 1.62 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.73 3.83 0.00 1.70 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.44 7.81 138 A 7.78 4.48 1.24 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 0.00 0.00 139 G 7.90 3.93 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 0.00 0.00 0.00 140 Q 8.00 5.28 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 141 V 8.91 4.59 2.12 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 0.83 0.00 0.00 1.01 0.00 0.00 142 E 8.91 5.13 0.00 1.88 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 2.42 0.00 143 V 9.04 4.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 144 E 10.14 5.04 0.00 2.12 2.43 0.00 0.00 0.00 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 0.00 145 G 7.10 4.35 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 0.00 0.00 0.00 146 L 7.40 4.68 0.00 1.71 1.58 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.84 4.23 1.82 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 1.16 0.56 0.86 0.00 0.00 148 D 9.20 4.67 0.00 2.60 2.68 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 0.00 149 A 7.70 4.70 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.55 4.94 0.00 1.45 1.48 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.82 4.32 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 1.00 0.00 0.00 0.91 0.00 0.00 152 Y 8.48 5.31 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.49 0.00 1.96 2.02 0.00 3.77 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 154 L 8.57 4.13 0.00 1.61 1.59 0.98 1.02 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 0.00 155 E 8.76 3.86 0.00 2.03 2.04 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 2.35 2.31 0.00 156 H 8.47 4.54 0.00 3.28 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 9.15 3.80 0.00 3.29 2.72 0.00 6.05 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 H 10.77 3.86 0.00 3.32 3.06 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 6.58 4.71 0.00 3.41 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.55 4.19 0.00 3.08 3.41 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 H 7.70 4.40 0.00 3.02 3.09 0.00 6.03 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00