NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3500 8.1627 120.6111 55.5340 33.9006 173.9543 102 L 4.4914 8.5719 129.9651 51.9304 42.5443 173.9946 103 I 4.5457 9.0159 121.5116 59.5198 40.8612 174.3256 104 K 5.1398 8.7154 121.7296 54.7905 35.9182 175.7562 105 V 4.9301 8.6269 115.3785 59.6343 36.1345 174.5971 106 K 4.8578 8.9945 124.4794 55.2478 33.9514 176.6675 107 T 4.3118 8.5999 120.1107 61.2028 68.9090 174.5012 108 L 4.2846 8.5035 123.2216 55.8737 41.7388 176.8501 109 T 4.3993 7.9048 105.2015 61.3120 69.5303 174.9573 110 G 3.8709 8.5500 111.2992 44.9495 0.0000 173.5046 111 K 3.9546 7.7874 122.0371 56.7053 33.0610 175.2661 112 E 4.9029 8.7810 129.5139 55.6063 30.7430 175.4646 113 I 4.6734 8.5943 119.6605 59.1853 40.8923 174.0582 114 E 4.9656 8.8457 125.4873 55.4738 30.9583 175.5313 115 I 4.7319 8.8749 116.4612 59.3845 41.8203 173.4823 116 D 5.2565 8.5661 123.0957 53.4526 41.7586 176.0446 117 I 4.6812 8.3283 123.0619 60.0629 41.7976 174.1123 118 E 4.7960 9.1368 124.2447 54.3034 32.5684 176.5147 119 P 4.0761 0.0000 0.0000 65.0408 31.8154 177.1927 120 T 4.4970 7.8807 111.2792 61.7683 68.6276 174.2250 121 D 4.5376 7.7963 120.8299 54.6708 41.7053 175.8392 122 K 4.5010 8.2454 120.7172 55.5517 33.5872 178.2508 123 V 3.5055 7.9891 119.5743 66.3637 31.0109 177.8075 124 E 3.8893 8.2519 117.5212 59.5984 29.5350 178.4860 125 R 4.0643 8.1036 118.3597 59.1975 30.2184 178.1038 126 I 3.7170 7.7728 119.1740 64.7480 36.9464 178.2607 127 K 4.2624 8.1080 120.2440 58.7723 31.7382 179.3737 128 E 3.9561 8.5526 119.5676 59.3157 29.4997 179.3329 129 R 4.0289 7.9477 117.6786 59.2822 30.1454 179.1003 130 V 3.5472 7.7459 117.8909 65.9331 31.2942 177.5804 131 E 3.8888 8.3358 119.2995 59.5355 29.2207 177.7262 132 E 3.8806 8.6100 117.9314 60.0104 29.6006 178.9527 133 K 4.0769 7.8681 117.4092 59.4604 32.4391 178.7831 134 E 4.2031 8.3943 118.4001 58.0884 29.8197 177.6027 135 G 3.9278 8.0658 105.2198 45.4429 0.0000 172.8107 136 I 4.0643 7.4556 120.3826 58.8202 37.5932 173.8509 137 P 4.4137 0.0000 0.0000 61.6747 31.0270 175.4309 138 P 4.1690 0.0000 0.0000 65.6292 31.4757 178.5402 139 Q 4.0720 8.0948 115.0799 58.0648 28.8078 176.6030 140 Q 4.4960 8.1631 114.9615 55.6688 28.7601 175.2464 141 Q 4.2379 7.6357 118.4917 55.6677 29.7843 175.0818 142 R 4.5814 8.2663 120.1559 54.5496 33.6950 174.1772 143 L 4.9506 8.3787 124.2213 53.8382 44.0590 176.0862 144 I 5.0941 8.5009 121.9179 59.9173 41.8565 174.1347 145 Y 4.7882 8.9156 127.5223 56.8040 41.9087 174.8697 146 S 3.4149 9.0573 123.4639 59.6694 60.0470 173.1686 147 G 3.9634 8.3737 108.3437 45.5518 0.0000 174.5579 148 K 4.2260 7.6663 120.8377 55.6610 32.6826 176.0347 149 Q 4.6938 8.6165 122.8997 55.2833 28.8115 174.8017 150 M 3.3160 8.1876 125.0797 55.5557 32.8378 176.2548 151 N 4.5388 9.8103 124.9937 52.6529 39.9971 175.9746 152 D 4.8111 8.7421 124.6390 53.7889 38.8231 176.4589 153 E 4.6094 8.5437 120.6709 56.5199 31.4392 176.4096 154 K 4.4367 7.7887 118.4111 56.1582 34.2813 175.0632 155 T 4.7498 9.9397 113.9098 60.6663 71.0129 175.6244 156 A 4.0365 8.4151 127.0782 55.2404 18.3863 179.9248 157 A 4.1955 7.5552 115.9872 54.5199 18.6109 178.3268 158 D 4.4438 8.0804 115.3581 56.5066 41.1446 176.9398 159 Y 4.4908 8.0367 114.3429 56.9022 38.0113 175.2455 160 K 3.9195 7.9879 117.2210 57.3500 29.7689 175.4875 161 I 3.8198 7.8586 119.3070 61.1259 38.0616 175.9165 162 L 4.9179 8.3232 127.8022 53.4224 42.9584 175.4018 163 G 3.5120 8.4679 106.7378 49.5862 0.0000 173.3280 164 G 4.0157 7.8091 111.2352 44.5146 0.0000 174.1216 165 S 4.4418 7.7606 115.5241 58.0676 64.5994 174.6403 166 V 4.7176 8.5708 124.4746 61.3829 32.8519 174.6966 167 L 5.1353 8.6458 127.5175 53.3206 45.0722 175.0367 168 H 5.3050 8.8478 118.6349 53.9428 32.1124 172.9110 169 L 4.8591 8.6360 124.1368 54.3757 42.1727 176.6766 170 V 4.5943 8.7864 123.3113 59.9689 34.6353 174.5736 171 L 4.5759 8.1768 120.5884 53.6201 44.8410 174.2270 172 Q 4.5035 8.5427 124.9734 54.2794 31.1559 174.7925 173 L 4.6895 8.3849 124.7706 53.6037 43.7376 176.2272 174 R 4.4508 8.2951 118.1846 57.0068 32.1826 177.6126 175 G 3.8103 8.0814 105.4902 45.5540 0.0000 173.4549 176 G 3.7111 8.3986 108.5263 45.4314 0.0000 172.9192 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 8.16 4.35 0.00 2.40 2.02 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 102 L 8.57 4.49 0.00 1.73 1.57 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.02 4.55 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.87 0.00 0.00 104 K 8.72 5.14 0.00 1.67 1.67 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.35 7.81 105 V 8.63 4.93 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 0.71 0.00 0.00 0.90 0.00 0.00 106 K 8.99 4.86 0.00 1.56 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.34 7.81 107 T 8.60 4.31 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 108 L 8.50 4.28 0.00 1.63 1.65 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.90 4.40 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 0.00 110 G 8.55 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 0.00 0.00 0.00 111 K 7.79 3.95 0.00 1.90 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 112 E 8.78 4.90 0.00 2.02 1.82 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 2.26 2.28 0.00 113 I 8.59 4.67 1.86 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 1.42 0.53 0.90 0.00 0.00 114 E 8.85 4.97 0.00 1.86 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 2.26 2.29 0.00 115 I 8.87 4.73 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.89 0.00 0.00 116 D 8.57 5.26 0.00 2.56 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 0.00 117 I 8.33 4.68 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.21 0.93 0.00 0.00 118 E 9.14 4.80 0.00 1.92 1.79 0.00 0.00 0.00 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 2.38 0.00 119 P 0.00 4.08 0.00 2.19 2.08 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 120 T 7.88 4.50 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 0.00 121 D 7.80 4.54 0.00 2.81 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 0.00 122 K 8.25 4.50 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.43 7.81 123 V 7.99 3.51 2.14 0.00 0.00 0.00 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 0.88 0.00 0.00 124 E 8.25 3.89 0.00 2.36 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 2.30 2.39 0.00 125 R 8.10 4.06 0.00 1.92 1.97 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 126 I 7.77 3.72 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.50 0.85 0.00 0.00 127 K 8.11 4.26 0.00 2.00 1.84 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 128 E 8.55 3.96 0.00 2.14 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 2.32 2.49 0.00 129 R 7.95 4.03 0.00 1.93 1.96 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.62 0.00 130 V 7.75 3.55 2.33 0.00 0.00 0.00 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 0.98 0.00 0.00 131 E 8.34 3.89 0.00 2.16 2.09 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 2.30 2.32 0.00 132 E 8.61 3.88 0.00 2.14 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 2.33 2.38 0.00 133 K 7.87 4.08 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.58 7.81 134 E 8.39 4.20 0.00 1.88 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 2.29 2.35 0.00 135 G 8.07 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 0.00 136 I 7.46 4.06 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.02 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 138 P 0.00 4.17 0.00 2.16 2.14 0.00 3.59 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 139 Q 8.09 4.07 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 140 Q 8.16 4.50 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 141 Q 7.64 4.24 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 142 R 8.27 4.58 0.00 1.86 1.81 0.00 3.28 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.38 4.95 0.00 1.51 1.50 0.84 0.59 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 0.00 144 I 8.50 5.09 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.94 0.00 0.00 145 Y 8.92 4.79 0.00 2.99 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 0.00 146 S 9.06 3.41 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.23 0.00 2.31 2.07 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 149 Q 8.62 4.69 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 150 M 8.19 3.32 0.00 1.45 1.88 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.35 0.00 151 N 9.81 4.54 0.00 2.87 2.90 0.00 0.00 6.63 8.47 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 0.00 152 D 8.74 4.81 0.00 2.88 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 0.00 153 E 8.54 4.61 0.00 1.88 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 2.22 2.29 0.00 154 K 7.79 4.44 0.00 2.28 2.11 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.52 7.81 155 T 9.94 4.75 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 1.42 0.00 0.00 156 A 8.42 4.04 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 A 7.56 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.44 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.49 0.00 3.00 3.24 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 0.00 160 K 7.99 3.92 0.00 2.06 1.97 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 161 I 7.86 3.82 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.67 0.00 0.00 162 L 8.32 4.92 0.00 1.60 1.51 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.47 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 4.02 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 0.00 0.00 0.00 165 S 7.76 4.44 0.00 3.60 3.40 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 0.00 166 V 8.57 4.72 2.17 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 0.71 0.00 0.00 0.97 0.00 0.00 167 L 8.65 5.14 0.00 1.56 1.49 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.85 5.30 0.00 3.13 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.64 4.86 0.00 1.68 1.61 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.79 4.59 2.09 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 0.67 0.00 0.00 0.94 0.00 0.00 171 L 8.18 4.58 0.00 1.55 1.52 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.54 4.50 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 173 L 8.38 4.69 0.00 1.65 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.30 4.45 0.00 1.77 1.94 0.00 3.22 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 175 G 8.08 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 0.00 176 G 8.40 3.71 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 0.00 0.00 0.00