NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4580 8.3049 120.3480 54.5517 34.3446 174.9842 102 K 4.4550 7.5078 116.7539 53.9520 36.4285 173.9275 103 Q 4.3535 8.6450 121.5649 54.2856 31.6908 174.8500 104 R 4.1509 8.5451 126.7199 54.9529 29.4015 175.4615 105 I 4.0429 8.0626 120.1357 59.6767 37.7797 175.4595 106 T 4.3114 8.3404 121.1503 60.2359 68.1149 174.4431 107 V 4.0297 7.7685 130.5284 59.6815 30.1825 174.0465 108 T 3.9857 7.7815 122.5224 64.8746 68.8556 174.4369 109 V 4.5301 8.0229 131.1114 61.8521 29.9109 176.1629 110 D 5.2402 9.7444 117.5575 54.7894 41.3234 173.2307 111 S 4.4453 7.7849 110.5747 59.8398 62.1111 173.7465 112 D 4.6706 7.6966 119.0744 53.7417 41.4533 177.1633 113 S 4.1479 8.5064 115.4754 60.8856 62.6075 175.9570 114 Y 4.1344 7.3458 122.9297 61.2067 37.9492 178.1877 115 Q 3.2566 8.1927 117.8942 58.8802 28.5114 178.8090 116 L 3.5529 7.5630 120.4490 58.0107 42.4073 178.8716 117 L 4.0296 7.5569 118.9742 57.4371 40.6838 179.4639 118 K 4.0272 7.2779 117.7997 59.4553 32.4386 178.8807 119 A 4.5866 7.8013 123.2655 53.8002 18.0704 177.5431 120 Y 4.9290 6.8774 112.5126 56.8183 40.0939 175.9178 121 D 5.4859 7.1859 126.7796 54.9991 44.5258 179.5020 122 V 3.9609 7.2354 121.5216 61.6269 29.8094 177.5978 123 N 5.0907 7.4112 123.3921 53.3900 39.7689 173.2296 124 I 4.4812 7.5110 119.9059 61.6217 40.8457 177.9197 125 S 4.2456 8.6068 114.3581 61.8073 61.7778 176.6567 126 G 3.4102 8.0113 106.0518 47.4226 0.0000 174.8754 127 L 4.0980 7.8624 122.1885 58.0240 41.6624 178.6751 128 V 3.6147 9.4055 118.3973 66.5034 31.2064 178.2516 129 S 4.2308 7.4600 111.8122 61.2325 63.0824 176.3569 130 T 4.0570 8.4720 120.3687 67.0225 68.3793 176.8969 131 T 3.9623 7.9945 116.8664 66.6750 67.7749 176.4132 132 M 4.0466 7.6352 120.0934 58.3128 32.0408 178.0760 133 Q 4.2443 7.8606 119.5554 59.4647 29.0679 178.4283 134 N 4.3247 8.0328 117.2307 56.5841 39.2933 176.2482 135 E 4.2243 8.2332 118.2502 57.6418 29.4880 178.8100 136 A 4.0593 9.1893 122.4056 54.8059 18.7549 179.6428 137 R 3.9218 7.8963 115.1752 59.6357 30.3566 179.2818 138 R 3.8802 8.0889 116.6186 57.3162 31.4704 176.6275 139 L 4.1316 7.1180 115.2556 55.2282 40.6659 175.0721 140 R 4.5906 7.2735 124.4807 54.5231 30.9092 173.8543 141 A 4.3470 7.5456 121.2002 52.9175 19.0754 176.2250 142 E 4.6636 8.3947 114.1228 55.5062 32.4771 175.5890 143 R 4.7113 8.1242 121.6428 54.9890 31.6875 176.1406 144 W 4.7450 8.1870 115.6704 56.2058 28.9631 174.3331 145 K 4.0894 7.9327 126.2328 55.8433 33.9580 176.7244 146 V 3.8429 7.8733 118.6355 63.2225 31.5110 174.5964 147 E 4.2833 7.9919 121.5669 56.2946 30.6452 177.4406 148 N 5.0603 7.6752 117.5570 51.0029 40.5640 172.7071 149 Q 4.6492 8.3043 115.3885 54.6416 31.3787 173.8810 150 E 4.2926 8.7009 115.6097 57.8622 31.1214 177.3033 151 G 3.8112 9.2801 104.4223 45.7354 0.0000 173.4295 152 M 4.2290 7.4473 111.7392 54.1613 31.5612 174.4455 153 V 3.7319 8.1497 120.2250 64.0250 33.1883 176.7946 154 E 4.4034 8.8690 114.0957 55.1038 29.8078 174.3312 155 V 3.7823 8.6487 124.0431 62.4721 32.5691 167.1966 156 A 4.3127 7.2468 135.0000 50.2347 24.9881 176.2361 157 R 3.9416 7.6904 107.1621 55.6508 31.7798 175.4852 158 F 4.8970 7.4247 113.7250 56.4773 38.7538 172.7397 159 I 4.0293 7.5224 126.9315 60.2282 39.3528 174.4251 160 E 3.8775 8.5696 122.3862 57.0731 29.5267 175.6634 161 M 4.9258 8.4610 123.7749 53.9234 35.5268 174.2663 162 N 4.6994 8.9695 118.8714 53.5044 40.7743 174.1010 163 G 4.0480 7.7117 101.8077 44.3102 0.0000 172.1631 164 S 4.6713 8.0029 117.7408 58.7007 70.0800 176.0000 165 F 4.4136 7.3416 120.9801 57.0875 41.8622 172.1038 166 A 4.0478 8.3877 128.4036 51.0046 17.5598 176.9347 167 D 4.5898 7.4651 118.0798 54.5264 44.5521 178.0714 168 E 5.0502 8.2448 119.1669 55.4488 29.7668 173.8576 169 N 4.8981 7.9122 115.4315 51.5654 40.6950 173.5755 170 K 4.4363 8.2346 116.3944 57.5828 34.0270 175.2235 171 D 4.5576 7.4495 116.0735 54.0570 43.6882 175.1905 172 W 4.6450 8.0355 133.2169 57.4498 30.7334 176.0466 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 4.46 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 102 K 7.51 4.45 0.00 1.80 1.62 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.43 7.81 103 Q 8.65 4.35 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 104 R 8.55 4.15 0.00 1.79 1.84 0.00 3.26 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 105 I 8.06 4.04 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.89 0.00 0.00 106 T 8.34 4.31 4.18 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 1.17 0.00 0.00 107 V 7.77 4.03 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 0.59 0.00 0.00 0.87 0.00 0.00 108 T 7.78 3.99 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 1.18 0.00 0.00 109 V 8.02 4.53 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 110 D 9.74 5.24 0.00 2.88 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 0.00 111 S 7.78 4.45 0.00 3.85 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 0.00 112 D 7.70 4.67 0.00 2.86 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 0.00 113 S 8.51 4.15 0.00 3.82 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 0.00 114 Y 7.35 4.13 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 3.26 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 116 L 7.56 3.55 0.00 1.67 1.53 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.56 4.03 0.00 1.66 1.53 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.28 4.03 0.00 1.78 1.69 0.00 1.38 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.02 7.81 119 A 7.80 4.59 0.64 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 0.00 0.00 120 Y 6.88 4.93 0.00 3.09 2.76 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 0.00 0.00 0.00 121 D 7.19 5.49 0.00 2.84 2.63 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 0.00 122 V 7.24 3.96 2.18 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 0.67 0.00 0.00 0.96 0.00 0.00 123 N 7.41 5.09 0.00 2.65 2.72 0.00 0.00 7.08 7.95 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 0.00 124 I 7.51 4.48 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.94 0.00 0.00 125 S 8.61 4.25 0.00 3.92 3.90 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 0.00 126 G 8.01 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.10 0.00 1.83 1.83 1.01 0.89 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 0.00 128 V 9.41 3.61 2.35 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 0.94 0.00 0.00 1.01 0.00 0.00 129 S 7.46 4.23 0.00 3.91 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 0.00 130 T 8.47 4.06 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 131 T 7.99 3.96 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 1.29 0.00 0.00 132 M 7.64 4.05 0.00 2.06 2.20 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 2.54 2.93 0.00 133 Q 7.86 4.24 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 134 N 8.03 4.32 0.00 2.89 2.80 0.00 0.00 7.25 7.67 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 0.00 135 E 8.23 4.22 0.00 2.21 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 2.36 2.41 0.00 136 A 9.19 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.90 3.92 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 138 R 8.09 3.88 0.00 1.98 1.96 0.00 3.33 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 139 L 7.12 4.13 0.00 1.87 1.80 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.27 4.59 0.00 1.94 1.78 0.00 3.47 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 141 A 7.55 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.66 0.00 1.92 1.97 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 2.10 2.27 0.00 143 R 8.12 4.71 0.00 1.87 1.91 0.00 3.33 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 144 W 8.19 4.75 0.00 3.54 2.98 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 0.00 0.00 0.00 145 K 7.93 4.09 0.00 1.72 1.74 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 146 V 7.87 3.84 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 0.75 0.00 0.00 0.82 0.00 0.00 147 E 7.99 4.28 0.00 2.00 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 2.25 2.29 0.00 148 N 7.68 5.06 0.00 2.78 2.80 0.00 0.00 5.80 7.39 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 0.00 149 Q 8.30 4.65 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 150 E 8.70 4.29 0.00 1.90 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 2.34 2.26 0.00 151 G 9.28 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.45 4.23 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 153 V 8.15 3.73 1.97 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 0.64 0.00 0.00 0.56 0.00 0.00 154 E 8.87 4.40 0.00 1.86 1.67 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 2.26 2.30 0.00 155 V 8.65 3.78 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 0.81 0.00 0.00 1.03 0.00 0.00 156 A 7.25 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.69 3.94 0.00 1.75 1.74 0.00 3.14 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 158 F 7.42 4.90 0.00 3.10 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 0.00 159 I 7.52 4.03 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.93 0.00 0.00 160 E 8.57 3.88 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 2.36 0.00 161 M 8.46 4.93 0.00 2.00 1.92 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 2.50 2.56 0.00 162 N 8.97 4.70 0.00 2.72 2.83 0.00 0.00 7.07 7.66 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 0.00 163 G 7.71 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 0.00 164 S 8.00 4.67 0.00 3.90 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 0.00 165 F 7.34 4.41 0.00 3.02 2.85 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 0.00 166 A 8.39 4.05 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.47 4.59 0.00 2.74 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 0.00 168 E 8.24 5.05 0.00 1.94 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 2.26 2.37 0.00 169 N 7.91 4.90 0.00 2.97 2.80 0.00 0.00 6.50 7.37 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 0.00 170 K 8.23 4.44 0.00 1.70 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.48 7.81 171 D 7.45 4.56 0.00 2.61 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 0.00 172 W 8.04 4.64 0.00 3.16 3.01 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 0.00 0.00 0.00