NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 95 I 4.1816 7.8676 114.2703 60.1656 39.7831 177.0259 96 E 3.8586 8.1121 121.2371 59.0817 29.4354 178.3183 97 K 3.9745 8.7308 125.8860 59.9897 32.4231 184.5989 98 Q 4.2422 8.0145 119.2700 58.7234 28.6354 178.3197 99 M 4.1024 8.4160 122.0761 59.3467 32.2103 178.7086 100 D 4.4121 8.1140 121.2451 58.2775 39.8785 180.7770 101 R 4.0951 7.8279 119.1111 59.1140 30.0807 179.1127 102 V 3.5555 7.8279 117.9318 66.1995 31.6054 178.0782 103 V 3.6500 7.8956 120.2129 66.7247 31.3493 178.7794 104 K 4.0526 8.2782 123.3748 59.7864 31.5054 180.9003 105 E 4.1967 8.5403 120.0254 59.5974 29.2711 179.3730 106 M 4.1131 8.2326 118.8387 58.3683 31.8477 178.8161 107 R 3.9450 8.1272 121.2303 59.9682 29.9990 179.4913 108 R 3.9822 7.6769 119.8323 61.2097 29.4873 180.7917 109 Q 4.2788 8.2190 119.8110 58.8622 29.3002 177.6430 110 L 4.2083 8.2916 124.1216 58.8639 42.1847 180.3241 111 E 4.0220 7.6741 116.0983 59.0235 29.9635 180.5080 *113 I 4.3338 7.7593 122.8105 62.4497 39.4933 177.9236 114 D 4.4067 8.6634 122.9954 57.7244 40.4376 179.5644 115 K 3.9780 7.9537 123.8782 59.8910 31.7671 180.9998 116 L 4.1738 7.9249 120.1163 57.8914 41.4149 179.7116 117 T 3.8744 8.2001 116.0318 66.9279 68.5380 176.8714 118 T 3.9253 8.0363 111.6757 64.8907 68.8543 176.9309 119 R 3.9549 8.3467 121.2558 58.7384 29.9472 178.5745 120 E 3.9260 8.3447 119.3102 59.2727 29.6532 178.8855 121 I 3.6819 7.5064 119.8757 64.5786 37.1958 178.2415 122 E 4.0052 8.0344 118.7854 59.3954 29.1674 179.5565 123 Q 3.9583 8.1691 118.2869 59.0053 28.8266 179.1600 124 V 3.6152 8.0070 120.3633 64.9453 31.2217 178.1491 125 E 3.9631 8.3024 119.2035 59.1659 29.2383 179.3742 126 L 4.0660 8.0148 119.1062 57.5435 41.5766 179.4881 127 L 4.0301 8.1169 119.2773 57.7698 41.5962 179.6694 128 K 4.0488 8.3020 118.5504 59.5149 31.9747 179.7022 129 R 3.9909 7.8910 118.4303 59.2342 29.7634 179.1387 130 I 3.7299 7.7567 118.7066 64.5053 37.4356 177.4672 131 Y 4.1956 8.3834 120.6433 60.9058 38.7477 177.9352 132 D 4.3068 8.3206 119.7387 57.2840 40.7196 178.8153 133 K 4.1238 8.0013 117.5533 58.1487 32.0954 178.1668 134 L 4.5170 7.2903 117.1533 53.7582 42.5081 175.9418 135 T 4.5393 6.5376 114.9345 60.6814 71.7570 174.2107 136 V 3.6414 8.1942 123.1941 62.2185 31.7483 176.0462 137 Q 4.0457 8.4044 124.1788 56.1900 29.2533 174.2782 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 7.87 4.18 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 1.47 0.54 0.91 0.00 0.00 96 E 8.11 3.86 0.00 2.34 2.25 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 2.36 2.49 0.00 97 K 8.73 3.97 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.10 7.81 98 Q 8.01 4.24 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 99 M 8.42 4.10 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 100 D 8.11 4.41 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.10 0.00 2.08 2.01 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 102 V 7.83 3.56 2.27 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 0.99 0.00 0.00 0.96 0.00 0.00 103 V 7.90 3.65 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 0.93 0.00 0.00 0.95 0.00 0.00 104 K 8.28 4.05 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 105 E 8.54 4.20 0.00 2.10 2.02 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 2.58 2.49 0.00 106 M 8.23 4.11 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 107 R 8.13 3.94 0.00 1.91 2.09 0.00 3.09 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 R 7.68 3.98 0.00 1.98 1.83 0.00 3.33 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 109 Q 8.22 4.28 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 110 L 8.29 4.21 0.00 1.88 1.83 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.67 4.02 0.00 1.96 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 2.25 2.24 0.00 *113 I 7.76 4.33 1.99 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 1.41 0.68 0.91 0.00 0.00 114 D 8.66 4.41 0.00 2.83 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 0.00 115 K 7.95 3.98 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 116 L 7.92 4.17 0.00 1.86 1.75 0.92 0.74 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 0.00 117 T 8.20 3.87 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 1.21 0.00 0.00 118 T 8.04 3.93 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 1.27 0.00 0.00 119 R 8.35 3.95 0.00 1.93 2.02 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 120 E 8.34 3.93 0.00 2.16 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 0.00 2.30 2.49 0.00 121 I 7.51 3.68 2.05 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 1.52 0.87 0.91 0.00 0.00 122 E 8.03 4.01 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 123 Q 8.17 3.96 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 124 V 8.01 3.62 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 0.86 0.00 0.00 0.92 0.00 0.00 125 E 8.30 3.96 0.00 2.21 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 2.56 2.50 0.00 126 L 8.01 4.07 0.00 2.00 1.72 0.97 0.67 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 0.00 127 L 8.12 4.03 0.00 1.88 1.73 0.92 1.22 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 0.00 128 K 8.30 4.05 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 129 R 7.89 3.99 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 130 I 7.76 3.73 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 1.42 0.63 0.95 0.00 0.00 131 Y 8.38 4.20 0.00 3.15 3.18 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 0.00 0.00 0.00 132 D 8.32 4.31 0.00 2.95 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 0.00 133 K 8.00 4.12 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.62 7.81 134 L 7.29 4.52 0.00 1.53 1.55 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 135 T 6.54 4.54 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 1.10 0.00 0.00 136 V 8.19 3.64 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 0.67 0.00 0.00 0.92 0.00 0.00 137 Q 8.40 4.05 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.