NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 M 4.3222 8.2931 120.3265 56.6032 33.2867 174.9481 101 G 3.7326 10.3862 110.0899 44.7693 0.0000 171.0858 102 D 4.6304 7.2802 116.7685 52.2161 44.8561 173.8343 103 G 4.7719 7.8467 124.8999 46.4824 0.0000 172.5168 104 D 4.9518 7.3079 118.1070 51.7761 43.2669 174.6809 105 L 3.9925 8.2642 123.2881 53.8374 43.9900 175.0888 106 D 4.3730 8.9558 110.3871 55.1547 39.3712 175.2286 107 V 3.9266 7.9799 106.6621 62.0874 31.4391 177.0481 108 E 4.0978 8.0360 122.2905 59.0410 29.6965 176.4722 109 L 4.3890 7.7645 115.8312 53.9917 48.4415 170.4879 110 E 3.7643 8.7756 127.7193 56.6562 29.7264 175.4072 111 T 3.4920 8.8182 122.2295 63.1710 67.6158 173.4924 112 R 4.0087 7.8667 117.8439 57.0086 28.0064 177.0772 113 R 4.2226 7.4707 113.6847 56.9142 29.8433 176.4243 114 E 4.5588 7.7565 116.9396 56.0622 31.6743 174.3699 115 D 4.7705 8.7106 124.3099 53.9673 41.6834 175.6908 116 E 3.7612 8.2555 117.1551 57.3569 27.5524 175.4293 117 I 3.9444 7.8693 109.8657 61.8246 37.8617 176.5962 118 G 4.0044 8.0061 109.6512 45.3995 0.0000 174.9011 119 D 4.2216 7.7967 118.4322 56.2751 41.5423 176.8793 120 L 4.2893 7.8479 117.9719 57.6872 41.2138 176.2435 121 Y 4.5497 7.4289 115.9085 57.0164 42.5963 173.1955 122 A 4.1113 7.3924 128.4002 51.8579 21.6824 174.6601 123 A 4.4832 8.0555 115.6978 51.4292 22.1155 176.6733 124 F 4.9697 8.0910 117.5210 57.0661 39.0004 176.0076 125 D 4.6474 7.8573 119.4068 56.0425 45.7205 176.7566 126 E 4.0741 8.0852 117.3519 59.6601 29.5304 178.5818 127 M 4.1190 7.4845 117.2798 57.2078 32.1346 177.8932 128 R 4.3488 7.3224 115.3707 56.7494 30.7388 176.7455 129 Q 4.4942 7.7121 115.0441 56.2571 30.6918 177.5244 130 S 4.0841 8.3545 113.3154 60.6474 62.4483 175.0420 131 V 4.0109 7.5840 117.2841 62.2292 31.9943 176.9867 132 R 3.9938 7.5733 121.3993 59.4364 30.1531 176.5545 133 T 4.2570 6.8399 107.3341 61.4088 70.3456 171.2637 134 S 4.7899 8.1124 132.1000 58.4366 66.6669 179.1441 135 L 3.9420 7.4578 121.5004 58.2153 41.8861 178.5554 136 E 4.0910 8.1020 117.7121 58.7588 29.4773 178.4300 137 D 4.3419 8.0716 117.9119 56.8771 41.4599 177.8987 138 A 3.9665 8.2666 121.6732 54.8218 18.2907 179.3902 139 K 3.8206 8.0969 118.1422 59.7806 32.2296 178.3909 140 N 4.2407 8.2680 116.9496 56.6126 38.8479 176.6409 141 A 3.9594 8.1739 122.0788 55.3904 18.6960 179.8897 142 R 3.8994 8.0704 116.6148 59.1806 29.9796 179.0803 143 E 4.0083 8.4884 119.4586 59.3521 29.7537 178.3096 144 D 4.2914 8.3658 118.1126 57.3121 41.0636 178.0193 145 A 4.0621 7.9964 120.1085 54.3374 18.5747 178.7645 146 E 4.1310 7.6546 116.9085 59.2038 29.9711 178.5324 147 Q 4.0442 8.4351 118.0821 58.7633 28.4804 178.5948 148 A 4.0341 7.9941 120.9604 54.6967 18.3960 178.9656 149 Q 4.1884 7.8444 115.5966 57.8347 29.3449 177.8224 150 K 4.2384 7.8015 119.3033 58.4650 32.0976 179.0026 151 R 3.9193 8.2219 115.6363 58.9001 29.3509 178.1226 152 A 4.1708 7.9250 119.3566 53.5031 18.5941 177.1120 153 E 4.2436 8.0498 115.4560 55.2968 30.1657 175.2646 154 E 3.9147 8.0353 119.7656 56.8761 28.5548 175.7406 155 I 3.2129 8.1825 115.5778 61.1975 35.6489 173.3580 156 N 4.2239 7.9381 116.4177 53.7397 36.2655 176.2672 157 T 3.9051 7.7721 109.5422 65.1269 69.0939 176.0868 158 E 4.0570 8.1310 120.7903 58.7743 29.6921 178.3101 159 L 4.2541 7.7586 116.9305 56.0395 41.8688 177.5120 160 L 4.3401 7.5299 117.2862 55.4963 41.9892 176.2856 161 E 4.2529 7.9326 115.2993 58.1155 32.2152 175.7046 162 H 3.9387 8.0382 114.9022 57.3110 28.4232 174.8187 163 H 4.2286 7.7339 115.2276 56.9239 28.9441 174.9186 164 H 4.7698 8.1207 122.0127 55.5821 32.2431 173.0560 165 H 4.3147 8.6617 122.9450 57.1034 30.0772 173.3756 166 H 3.8909 7.8148 118.8729 56.8855 29.1642 174.0097 167 H 4.3742 8.3842 120.9240 55.6182 28.6431 175.4273 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 100 M 8.29 4.32 0.00 2.02 2.07 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 2.50 2.55 0.00 101 G 10.39 3.73 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 0.00 0.00 0.00 102 D 7.28 4.63 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.31 4.95 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.99 0.00 1.73 1.39 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.96 4.37 0.00 2.93 2.72 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 0.00 107 V 7.98 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 108 E 8.04 4.10 0.00 1.92 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 2.29 2.30 0.00 109 L 7.76 4.39 0.00 1.57 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.78 3.76 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 111 T 8.82 3.49 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 0.00 112 R 7.87 4.01 0.00 1.98 2.02 0.00 3.32 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 113 R 7.47 4.22 0.00 2.01 2.05 0.00 3.09 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 114 E 7.76 4.56 0.00 2.06 1.95 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 2.19 2.34 0.00 115 D 8.71 4.77 0.00 2.69 2.72 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 0.00 116 E 8.26 3.76 0.00 2.18 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 2.30 2.30 0.00 117 I 7.87 3.94 1.88 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 1.36 0.99 0.95 0.00 0.00 118 G 8.01 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 0.00 119 D 7.80 4.22 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 0.00 120 L 7.85 4.29 0.00 1.85 1.82 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 7.43 4.55 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.39 4.11 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.06 4.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 4.97 0.00 3.13 3.09 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 0.00 125 D 7.86 4.65 0.00 2.45 2.38 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 0.00 126 E 8.09 4.07 0.00 2.20 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 2.28 2.35 0.00 127 M 7.48 4.12 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 128 R 7.32 4.35 0.00 1.98 1.99 0.00 3.29 0.00 0.00 3.30 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 129 Q 7.71 4.49 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.29 0.00 130 S 8.35 4.08 0.00 3.92 3.92 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 0.00 131 V 7.58 4.01 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 0.79 0.00 0.00 0.93 0.00 0.00 132 R 7.57 3.99 0.00 1.74 2.11 0.00 3.29 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 133 T 6.84 4.26 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 0.00 134 S 8.11 4.79 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.46 3.94 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.10 4.09 0.00 2.05 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 2.40 2.36 0.00 137 D 8.07 4.34 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.27 3.97 1.38 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 0.00 0.00 0.00 139 K 8.10 3.82 0.00 1.93 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 140 N 8.27 4.24 0.00 2.98 2.95 0.00 0.00 7.19 7.47 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 0.00 141 A 8.17 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.90 0.00 2.07 1.99 0.00 3.13 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 143 E 8.49 4.01 0.00 2.12 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 0.00 2.30 2.31 0.00 144 D 8.37 4.29 0.00 2.88 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 0.00 145 A 8.00 4.06 1.37 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 0.00 0.00 146 E 7.65 4.13 0.00 2.12 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 0.00 2.28 2.34 0.00 147 Q 8.44 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 148 A 7.99 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 4.19 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 150 K 7.80 4.24 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.62 7.81 151 R 8.22 3.92 0.00 2.03 2.20 0.00 2.82 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 152 A 7.92 4.17 1.35 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 0.00 153 E 8.05 4.24 0.00 1.93 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 2.26 2.31 0.00 154 E 8.04 3.91 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 155 I 8.18 3.21 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 1.41 0.63 0.91 0.00 0.00 156 N 7.94 4.22 0.00 2.89 2.86 0.00 0.00 6.78 7.04 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 0.00 157 T 7.77 3.91 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 1.27 0.00 0.00 158 E 8.13 4.06 0.00 2.10 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 2.41 2.40 0.00 159 L 7.76 4.25 0.00 1.75 1.68 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.53 4.34 0.00 1.77 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 161 E 7.93 4.25 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 2.18 2.25 0.00 162 H 8.04 3.94 0.00 3.17 3.25 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 7.73 4.23 0.00 3.20 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 8.12 4.77 0.00 2.84 2.97 0.00 5.92 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 0.00 165 H 8.66 4.31 0.00 3.12 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 H 7.81 3.89 0.00 2.95 3.25 0.00 5.97 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.38 4.37 0.00 3.22 3.13 0.00 5.61 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