NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 T 4.5061 8.1593 117.3258 62.6960 70.1212 173.4480 102 P 4.3138 0.0000 0.0000 62.0810 32.7960 174.0067 103 D 4.5492 8.8416 122.0260 55.2726 41.4432 176.8112 104 C 4.7570 9.1092 122.5152 57.8124 45.4587 174.0984 105 V 4.7087 7.3237 110.3899 59.9974 35.9956 173.8902 106 T 4.9018 9.1469 118.9928 60.8699 72.3553 174.0929 107 G 3.9314 7.8203 110.6785 46.3872 0.0000 171.4802 108 K 4.8522 8.1555 118.9607 55.4380 33.4957 177.5236 109 V 3.8170 8.1564 122.4283 62.7773 31.8534 175.5394 110 E 4.3282 9.0384 130.2396 59.2089 30.2307 175.8463 111 Y 5.2351 7.3120 114.6740 57.2658 41.0686 173.2559 112 T 5.0639 8.6010 109.5074 59.9776 72.4785 172.9990 113 K 4.5601 8.3015 123.0700 55.1494 36.0623 174.0144 114 Y 4.7926 8.7487 128.4577 56.7064 39.9913 174.4388 115 N 4.9718 8.3299 123.8395 51.3984 40.7062 175.6979 116 D 4.4444 8.6852 119.9273 57.1167 41.4261 176.6653 117 D 4.6656 8.0309 116.6523 53.0304 39.4794 176.4971 118 D 4.2157 8.0684 117.3999 55.2128 39.0977 173.9768 119 T 4.3907 7.6228 111.0289 60.9399 71.2258 173.2243 120 F 5.1915 8.8976 123.1757 56.8454 42.5488 173.2932 121 T 5.0894 8.5744 123.1684 62.1532 70.7773 174.1279 122 V 4.6936 9.0041 118.4764 59.3062 35.8898 174.4050 123 K 4.5810 8.1624 125.5804 54.5564 34.2920 174.9963 124 V 4.4285 7.9113 126.9703 60.8115 34.8497 174.6311 125 G 3.8174 8.9218 116.4007 47.3211 0.0000 173.7079 126 D 4.8988 8.7975 123.2263 52.3841 39.7399 175.6743 127 K 4.6826 7.8215 118.0714 55.2482 36.8101 175.0721 128 E 4.8238 8.6903 122.8965 55.4625 31.4627 175.2425 129 L 5.3565 8.9548 122.6292 53.0179 46.5704 175.3195 130 A 5.3795 9.3082 122.6404 50.5264 22.8799 174.9527 131 T 4.5786 8.7636 114.7471 59.9915 70.6562 174.0399 132 N 4.6837 8.5395 123.3598 52.5971 38.1386 174.9323 133 R 4.1581 7.6811 119.8408 55.3007 30.3112 176.9430 134 A 3.9492 8.6734 126.2702 55.3884 18.3082 178.6997 135 N 4.2909 8.1713 114.2253 56.3497 38.4986 176.9812 136 L 4.1724 7.9099 119.5066 56.5674 41.7579 179.2317 137 Q 2.9899 7.7597 119.1421 58.7166 28.5685 178.8742 138 S 4.1023 7.7898 114.6787 61.2670 63.0901 176.2565 139 L 3.8243 7.2898 119.9602 57.5757 41.3865 179.4969 140 L 4.3112 8.3687 119.2968 57.7530 41.5115 179.3496 141 L 4.1637 8.1092 120.4277 58.2423 42.0752 179.0970 142 S 4.1099 8.3845 115.0979 61.6758 62.7787 176.5813 143 A 4.1094 8.2789 123.5276 55.1086 17.5981 179.5406 144 Q 3.9277 8.2585 118.0824 59.5529 29.0014 178.5416 145 I 3.8468 7.9691 120.0789 63.9833 37.2476 177.6008 146 T 4.4113 7.9198 107.8127 60.9513 69.1754 175.1196 147 G 3.8758 7.7162 108.9673 46.8475 0.0000 174.0193 148 M 4.3787 7.8641 118.3336 55.3519 33.1137 176.0413 149 T 4.6037 8.5675 118.0036 62.6463 70.3733 174.5602 150 V 4.8523 8.8434 119.5642 59.7343 35.6950 174.6663 151 T 4.8859 8.3803 119.1780 61.8423 71.6842 172.9690 152 I 4.5932 8.4840 127.2275 59.3689 39.6251 174.6041 153 K 4.8856 8.2583 126.5173 55.0661 33.7762 175.6838 154 T 4.4593 8.1376 116.4568 61.7405 70.4387 173.0271 155 N 4.5439 9.1127 122.8561 54.0956 40.0699 175.8505 156 A 4.5768 7.9108 124.1261 50.9682 18.0140 176.7607 157 C 4.6004 7.5849 124.1055 53.9482 43.2903 171.6222 158 H 4.8780 7.2827 117.8780 53.2837 31.3757 173.3709 159 N 4.4864 8.6200 119.2989 55.4676 38.8682 175.1172 160 G 4.0046 9.3786 114.8057 44.8722 0.0000 173.7002 161 G 3.9756 7.6011 107.7940 45.6962 0.0000 173.8164 162 G 5.0289 8.5561 109.5268 46.5850 0.0000 172.5976 163 F 5.2323 7.9420 114.3521 55.8908 40.2017 174.0762 164 S 4.4443 8.8510 111.4615 57.4577 64.7558 173.5538 165 E 4.7518 8.2595 121.2841 54.8305 31.2771 175.2126 166 V 4.7674 8.2527 122.9654 61.4139 35.1454 173.5726 167 I 4.4233 8.5758 128.1923 59.5346 39.6682 174.3811 168 F 5.0499 8.8569 125.3796 55.8447 40.8667 175.9646 169 R 4.3517 8.8683 122.3742 56.2691 30.6399 175.7469 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 T 8.16 4.51 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 1.22 0.00 0.00 102 P 0.00 4.31 0.00 2.18 2.16 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 103 D 8.84 4.55 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.11 4.76 0.00 2.89 3.16 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 0.00 0.00 0.00 0.00 105 V 7.32 4.71 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 0.67 0.00 0.00 0.76 0.00 0.00 106 T 9.15 4.90 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 1.22 0.00 0.00 107 G 7.82 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 0.00 108 K 8.16 4.85 0.00 1.64 1.75 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.38 7.81 109 V 8.16 3.82 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 110 E 9.04 4.33 0.00 1.94 1.77 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 2.51 2.32 0.00 111 Y 7.31 5.24 0.00 3.02 2.99 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 0.00 112 T 8.60 5.06 3.66 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 1.32 0.00 0.00 113 K 8.30 4.56 0.00 1.83 1.59 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 114 Y 8.75 4.79 0.00 3.28 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 0.00 115 N 8.33 4.97 0.00 2.90 2.70 0.00 0.00 6.28 7.69 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 0.00 116 D 8.69 4.44 0.00 2.66 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 0.00 117 D 8.03 4.67 0.00 2.79 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 0.00 118 D 8.07 4.22 0.00 2.87 2.87 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 0.00 119 T 7.62 4.39 4.28 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 1.15 0.00 0.00 120 F 8.90 5.19 0.00 2.93 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 0.00 121 T 8.57 5.09 4.26 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 1.22 0.00 0.00 122 V 9.00 4.69 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 0.87 0.00 0.00 0.87 0.00 0.00 123 K 8.16 4.58 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.12 7.81 124 V 7.91 4.43 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 0.79 0.00 0.00 0.77 0.00 0.00 125 G 8.92 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 0.00 0.00 0.00 126 D 8.80 4.90 0.00 2.76 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 0.00 127 K 7.82 4.68 0.00 1.63 1.61 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.36 7.81 128 E 8.69 4.82 0.00 1.93 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 0.00 2.34 2.39 0.00 129 L 8.95 5.36 0.00 1.42 1.70 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 130 A 9.31 5.38 1.19 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 0.00 131 T 8.76 4.58 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 1.14 0.00 0.00 132 N 8.54 4.68 0.00 2.80 2.82 0.00 0.00 6.11 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 0.00 133 R 7.68 4.16 0.00 1.82 1.88 0.00 3.26 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 134 A 8.67 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.29 0.00 2.73 2.88 0.00 0.00 7.16 6.74 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 0.00 136 L 7.91 4.17 0.00 1.90 1.81 1.05 1.35 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 0.00 137 Q 7.76 2.99 0.00 1.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.68 2.20 0.00 138 S 7.79 4.10 0.00 4.00 4.06 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 0.00 0.00 0.00 0.00 139 L 7.29 3.82 0.00 1.97 1.37 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.37 4.31 0.00 2.04 2.06 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.11 4.16 0.00 1.93 1.72 1.11 1.12 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 0.00 142 S 8.38 4.11 0.00 4.06 3.86 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 0.00 143 A 8.28 4.11 1.63 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 0.00 144 Q 8.26 3.93 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 145 I 7.97 3.85 1.90 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 1.62 0.84 0.93 0.00 0.00 146 T 7.92 4.41 4.26 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 1.25 0.00 0.00 147 G 7.72 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 0.00 148 M 7.86 4.38 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 149 T 8.57 4.60 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 1.18 0.00 0.00 150 V 8.84 4.85 1.77 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 0.69 0.00 0.00 0.86 0.00 0.00 151 T 8.38 4.89 4.13 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 0.00 0.00 1.13 0.00 0.00 152 I 8.48 4.59 1.53 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.16 0.00 0.00 153 K 8.26 4.89 0.00 1.62 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.30 7.81 154 T 8.14 4.46 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 1.21 0.00 0.00 155 N 9.11 4.54 0.00 2.76 2.85 0.00 0.00 6.81 7.35 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 0.00 156 A 7.91 4.58 1.25 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 0.00 0.00 0.00 157 C 7.58 4.60 0.00 2.92 3.02 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 0.00 0.00 0.00 158 H 7.28 4.88 0.00 3.36 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.62 4.49 0.00 2.72 2.82 0.00 0.00 7.19 7.98 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 0.00 160 G 9.38 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 0.00 161 G 7.60 3.98 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 0.00 0.00 0.00 162 G 8.56 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.94 5.23 0.00 2.99 2.95 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 0.00 164 S 8.85 4.44 0.00 3.92 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 0.00 165 E 8.26 4.75 0.00 2.15 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 2.35 2.32 0.00 166 V 8.25 4.77 1.68 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 0.11 0.00 0.00 1.08 0.00 0.00 167 I 8.58 4.42 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.91 0.00 0.00 168 F 8.86 5.05 0.00 2.93 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 0.00 169 R 8.87 4.35 0.00 1.86 1.78 0.00 3.15 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00