NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 89 M 4.5042 8.2893 120.3276 55.5619 32.9787 175.4275 90 Q 3.9093 7.8810 117.2191 57.5774 29.9779 175.6431 91 Q 4.3829 7.8900 120.9320 55.6431 30.0529 175.8018 92 E 4.4027 7.5954 119.8741 55.5009 33.1144 174.6221 93 L 4.2560 8.5317 117.4626 58.0843 41.5032 179.4011 94 R 3.9558 8.1255 117.3139 57.8985 29.7926 178.0539 95 E 3.9398 8.5057 117.9554 59.7311 29.5791 178.9766 96 A 4.0303 7.6744 121.4455 54.4149 18.5408 179.2864 97 F 3.7295 8.2412 118.9758 61.4161 39.2877 177.4331 98 R 4.8962 8.3636 117.0840 58.7483 28.8903 178.5539 99 L 3.9280 7.3937 118.2196 56.5666 41.8177 177.1340 100 Y 4.7298 7.3227 115.3441 57.9470 38.3646 175.7054 101 D 4.7471 7.8774 120.0787 54.0161 41.1949 179.3604 102 K 3.8502 8.1163 120.5691 59.3205 32.8634 176.8699 103 E 4.3725 8.3336 121.3864 56.8763 30.7460 176.4336 104 G 4.0047 9.6117 109.4640 45.3659 0.0000 171.0405 105 N 4.9234 8.3829 116.6088 53.3944 40.8281 174.7601 106 G 4.2236 10.3080 116.1893 45.5624 0.0000 172.5480 107 Y 4.9087 7.4599 116.3268 55.7845 38.2880 174.4588 108 I 3.9787 7.6425 116.5715 59.8546 39.2872 176.8672 109 S 4.7335 8.4459 119.4728 58.7532 63.2877 175.5177 110 T 3.9145 9.0104 115.6186 64.7582 67.9593 175.9820 111 D 4.3950 8.1698 121.0062 57.6080 41.1562 178.7596 112 V 3.4056 7.6785 119.3143 64.8210 31.3220 177.9337 113 M 4.0477 7.6221 117.2711 58.0567 31.9838 178.4034 114 R 3.8719 7.6290 118.8054 59.2943 30.2965 178.5666 115 E 3.9477 7.8971 118.5163 58.9954 29.5412 178.6588 116 I 3.7387 7.5912 120.0381 64.4756 37.1447 178.3661 117 L 3.9912 8.1885 119.6633 57.7666 41.1996 179.5054 118 A 3.9960 7.8183 119.7781 54.8648 18.3604 178.9872 119 E 4.1515 7.9388 115.7468 58.1661 29.7138 178.0857 120 L 4.2908 7.2764 120.1158 56.1362 42.9144 176.0283 121 D 4.6852 7.7053 118.0631 53.4952 42.2248 175.4068 122 E 4.5652 8.6045 122.3756 56.4147 31.8802 176.8785 123 T 4.2850 8.1186 107.6631 62.9875 69.9832 175.4037 124 L 4.1358 8.5050 121.5026 55.1326 41.4058 176.9761 125 S 4.5948 9.1797 115.5484 57.1469 65.4009 175.2372 126 S 4.1428 8.3873 118.1671 61.5174 62.4346 176.4234 127 E 3.9948 8.1338 121.6233 59.2009 29.5144 178.4332 128 D 4.3486 8.0304 118.6626 57.4008 41.0550 178.6600 129 L 4.0309 7.9291 120.2798 58.8157 40.4153 178.7249 130 D 4.2831 8.7047 119.1389 57.1033 40.9353 178.1184 131 A 4.1441 7.9643 120.4533 55.2758 18.1593 179.2371 132 M 4.1750 7.8861 117.0118 58.5014 32.0282 178.9870 133 I 3.8826 7.9992 120.0932 64.0702 37.0529 177.7986 134 D 4.4432 8.4116 119.0150 56.2312 41.0360 177.0561 135 E 4.5517 7.5992 114.0975 56.1425 30.2014 175.9477 136 I 4.1575 7.4576 119.5923 61.5033 39.5117 175.1490 137 D 4.3692 8.1930 118.3186 55.1375 40.6567 175.7226 138 A 4.3831 9.3095 128.9416 52.0564 18.6663 178.0005 139 D 4.6588 9.0998 116.4302 55.2105 41.5734 175.0541 140 G 3.8870 7.4261 107.8983 44.9797 0.0000 174.3984 141 S 3.8440 8.5127 108.6064 59.6653 61.2923 171.6674 142 G 3.6309 7.7127 104.9565 45.9614 0.0000 172.8296 143 T 5.2091 7.5149 110.5966 60.2068 73.5203 174.1073 144 V 4.5571 8.4767 121.8357 61.2392 34.1827 174.9911 145 D 4.6989 9.7979 127.8118 53.5158 43.0016 176.8507 146 F 3.9239 9.5687 121.8869 61.4661 39.2737 176.7284 147 E 3.8408 8.3001 118.3337 59.0065 29.3818 178.4470 148 E 3.9762 8.1969 118.5613 59.1528 29.5499 178.8227 149 F 4.1996 8.4145 120.6542 61.5376 39.5736 176.8885 150 M 3.7556 8.1472 118.6733 58.3764 31.7407 178.9769 151 G 3.5607 8.4894 105.8885 47.8742 0.0000 175.8507 152 V 3.5923 7.3884 120.7981 65.7067 31.3967 177.8217 153 M 3.9627 7.9059 117.3560 57.7295 31.9161 177.0969 154 T 4.3316 7.2623 108.6743 61.5793 69.2423 173.7897 155 G 4.1930 8.0283 113.1580 44.6993 0.0000 175.0993 156 G 4.9003 6.8576 116.4426 45.8477 0.0000 174.1005 157 D 4.5089 8.2754 118.5931 53.0830 40.5195 175.7662 158 E 4.1489 8.4254 122.6899 56.2401 29.8072 177.1432 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 89 M 8.29 4.50 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 90 Q 7.88 3.91 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 91 Q 7.89 4.38 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 92 E 7.60 4.40 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 93 L 8.53 4.26 0.00 1.77 1.80 0.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.13 3.96 0.00 1.97 2.05 0.00 3.63 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 95 E 8.51 3.94 0.00 2.19 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 0.00 2.54 2.40 0.00 96 A 7.67 4.03 1.48 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 0.00 0.00 97 F 8.24 3.73 0.00 2.77 3.05 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 98 R 8.36 4.90 0.00 2.09 2.25 0.00 3.09 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 99 L 7.39 3.93 0.00 0.93 1.35 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.32 4.73 0.00 2.83 2.69 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 0.00 101 D 7.88 4.75 0.00 2.83 2.69 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 0.00 102 K 8.12 3.85 0.00 1.90 1.95 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.43 7.81 103 E 8.33 4.37 0.00 1.94 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 2.20 2.26 0.00 104 G 9.61 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 0.00 105 N 8.38 4.92 0.00 2.72 2.73 0.00 0.00 6.96 8.06 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 0.00 106 G 10.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.46 4.91 0.00 2.93 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 0.00 108 I 7.64 3.98 1.64 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.65 0.50 0.00 0.00 109 S 8.45 4.73 0.00 3.87 3.87 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 0.00 0.00 0.00 110 T 9.01 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 1.23 0.00 0.00 111 D 8.17 4.40 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.68 3.41 1.86 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 0.56 0.00 0.00 0.16 0.00 0.00 113 M 7.62 4.05 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 114 R 7.63 3.87 0.00 1.97 1.94 0.00 3.25 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 115 E 7.90 3.95 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 2.33 2.44 0.00 116 I 7.59 3.74 2.11 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 1.47 0.43 1.17 0.00 0.00 117 L 8.19 3.99 0.00 1.83 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.82 4.00 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 0.00 119 E 7.94 4.15 0.00 2.24 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 2.54 2.53 0.00 120 L 7.28 4.29 0.00 1.75 1.79 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.71 4.69 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.57 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 123 T 8.12 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 0.00 124 L 8.50 4.14 0.00 1.70 1.70 0.91 0.89 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 0.00 125 S 9.18 4.59 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.39 4.14 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.13 3.99 0.00 2.03 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 2.37 2.40 0.00 128 D 8.03 4.35 0.00 2.92 2.69 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 0.00 129 L 7.93 4.03 0.00 1.92 1.92 0.97 1.07 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 0.00 130 D 8.70 4.28 0.00 2.81 2.82 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 0.00 131 A 7.96 4.14 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 0.00 132 M 7.89 4.17 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 133 I 8.00 3.88 2.00 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 1.65 0.82 0.96 0.00 0.00 134 D 8.41 4.44 0.00 2.79 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 0.00 135 E 7.60 4.55 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 136 I 7.46 4.16 2.02 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 1.23 0.93 1.01 0.00 0.00 137 D 8.19 4.37 0.00 2.67 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 0.00 138 A 9.31 4.38 1.43 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 0.00 0.00 0.00 0.00 0.00 139 D 9.10 4.66 0.00 2.79 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 0.00 140 G 7.43 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.51 3.84 0.00 4.05 3.99 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 0.00 0.00 0.00 142 G 7.71 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 0.00 143 T 7.51 5.21 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 1.35 0.00 0.00 144 V 8.48 4.56 2.22 0.00 0.00 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 1.01 0.00 0.00 145 D 9.80 4.70 0.00 3.00 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 0.00 146 F 9.57 3.92 0.00 2.85 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 0.00 147 E 8.30 3.84 0.00 2.19 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 2.38 2.41 0.00 148 E 8.20 3.98 0.00 2.38 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 2.45 2.43 0.00 149 F 8.41 4.20 0.00 3.26 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 0.00 150 M 8.15 3.76 0.00 1.86 2.03 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 1.97 2.04 0.00 151 G 8.49 3.56 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 0.00 0.00 0.00 152 V 7.39 3.59 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 1.02 0.00 0.00 0.97 0.00 0.00 153 M 7.91 3.96 0.00 1.28 1.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.19 0.00 154 T 7.26 4.33 4.17 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 1.15 0.00 0.00 155 G 8.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 6.86 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.28 4.51 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.43 4.15 0.00 2.11 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 2.26 2.29 0.00