NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8991 8.3049 120.2620 55.9354 32.3717 176.3229 2 I 2.5575 7.4878 121.9362 59.0459 36.5390 169.7760 3 V 2.8361 8.5708 124.5623 62.4783 32.4844 173.9073 4 P 4.1523 0.0000 0.0000 62.7363 31.7478 175.7563 5 V 3.7754 8.0847 121.2302 62.6740 32.2663 171.7971 6 R 4.1189 8.6955 134.7567 55.5959 31.4197 174.8901 7 C 4.0136 8.6112 125.3671 58.7556 31.9870 173.3857 8 F 4.4252 8.1089 126.1186 61.6157 38.9034 177.0097 9 S 4.3594 8.3184 116.1018 61.0783 62.8677 175.2730 10 C 4.6298 8.0900 111.3403 56.9858 31.0623 174.9358 11 G 3.8917 8.4060 107.8839 44.7750 0.0000 173.3395 12 K 3.8359 7.8446 121.2912 55.9846 32.5894 176.0656 13 V 3.8048 8.3922 126.1452 63.4158 31.6061 175.4028 14 V 4.3443 8.4273 125.0479 62.4839 32.2423 176.0683 15 G 3.7335 8.0130 107.8145 47.7357 0.0000 174.3252 16 D 4.8373 8.0677 118.0401 53.1171 39.7401 176.8714 17 K 4.5259 7.7937 117.8558 55.7875 33.6910 177.0824 18 W 4.6661 8.0008 127.5452 61.3598 30.0107 176.9233 19 E 3.7751 8.3334 119.1969 59.8830 29.5396 179.1226 20 S 4.2073 8.2266 114.1197 62.3941 62.8062 175.6635 21 Y 3.9993 8.5243 121.5618 61.2934 38.3492 178.2047 22 L 3.5208 8.0304 121.0203 57.5660 41.5000 178.9210 23 N 4.2747 7.8912 116.3160 55.9791 38.3709 177.1695 24 L 4.0008 7.4868 119.4931 57.1788 41.6765 178.9345 25 L 4.0196 7.1620 118.6908 57.2476 41.8284 178.1472 26 Q 3.7843 8.0627 117.5308 60.2468 28.4951 178.8208 27 E 3.8953 8.1157 120.7734 59.6699 30.3696 177.9813 28 D 4.4198 8.0671 114.7440 54.5950 41.5573 176.3197 29 E 4.1090 7.2219 118.0040 56.4690 27.2206 174.5576 30 L 4.5882 7.1358 118.8064 53.1347 44.3960 177.5586 31 D 4.6303 8.1366 120.0950 52.9723 41.7913 177.0955 32 E 4.0867 8.8400 120.7673 59.8259 29.2780 179.9244 33 G 3.7058 8.1161 105.0626 48.1887 0.0000 175.7232 34 T 3.9762 8.0611 117.6315 66.1021 68.3245 176.5796 35 A 3.9147 7.7969 121.6501 55.3961 18.6437 179.0227 36 L 4.1572 8.1987 116.6707 58.6317 41.8547 179.9965 37 S 4.1430 7.8894 114.3156 62.0037 62.6195 176.9543 38 R 4.0835 7.8208 119.8217 58.5333 29.9298 177.4890 39 L 4.4089 7.8167 116.8859 54.6457 41.7928 177.5248 40 G 3.9385 7.8141 107.3294 45.7951 0.0000 175.2151 41 L 4.3695 7.4908 121.0742 53.4130 40.1770 176.4514 42 K 4.1674 8.1466 121.5157 59.0709 33.7978 179.6167 43 R 4.2545 7.6672 116.5912 55.2499 31.8557 176.9571 44 Y 4.2392 8.3871 119.8425 60.0068 37.6996 178.4852 45 C 4.0648 7.3736 115.5533 61.7059 29.9091 175.2554 46 C 4.2089 7.8956 119.4533 62.0153 27.7136 176.1788 47 R 3.9637 8.0997 119.9204 59.3340 29.9024 179.2728 48 R 3.9747 8.5711 116.0126 59.2647 28.8636 178.4694 49 M 3.7976 7.2912 118.4141 58.6491 32.6600 177.9581 50 I 3.8368 7.4458 119.2144 64.0746 37.3188 177.7132 51 L 3.9476 7.5982 120.1752 58.5721 41.8683 178.4145 52 T 4.1525 7.5762 112.2811 65.4068 68.7834 174.8602 53 H 4.1440 7.7347 121.4635 55.9440 30.2459 174.6010 54 V 4.1367 8.0265 125.3225 61.0876 32.7311 175.6042 55 D 4.3529 8.0440 129.2525 53.1810 39.5392 176.3741 56 L 3.8645 7.6221 123.5681 56.7990 42.1429 177.9901 57 I 3.5466 7.4510 118.1142 63.7294 37.4280 177.2335 58 E 4.1233 7.7055 118.5077 58.6687 29.1553 178.1423 59 K 4.5085 8.5731 117.4992 57.2426 32.6345 178.7020 60 F 4.2834 8.2833 117.7228 60.4805 38.7374 177.1309 61 L 4.2839 8.1676 118.4192 57.5434 41.2602 178.9886 62 R 4.0824 7.5724 116.8246 57.2731 30.1971 175.7210 63 Y 4.1964 7.3322 115.7161 57.3247 38.3500 174.3863 64 N 4.0654 8.5485 123.5326 56.1410 39.5125 172.4717 65 P 4.5001 0.0000 0.0000 62.8201 31.7279 175.5157 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 1 M 8.30 3.90 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 2 I 7.49 2.56 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.04 0.78 0.00 0.00 3 V 8.57 2.84 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 0.70 0.00 0.00 0.63 0.00 0.00 4 P 0.00 4.15 0.00 1.71 1.69 0.00 3.34 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 5 V 8.08 3.78 2.06 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 0.75 0.00 0.00 0.90 0.00 0.00 6 R 8.70 4.12 0.00 1.95 1.92 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 7 C 8.61 4.01 0.00 2.86 2.84 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 8 F 8.11 4.43 0.00 3.07 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 9 S 8.32 4.36 0.00 3.85 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 10 C 8.09 4.63 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 11 G 8.41 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 12 K 7.84 3.84 0.00 1.77 1.67 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.42 7.81 13 V 8.39 3.80 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 0.84 0.00 0.00 0.92 0.00 0.00 14 V 8.43 4.34 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 0.81 0.00 0.00 0.92 0.00 0.00 15 G 8.01 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 16 D 8.07 4.84 0.00 2.80 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 17 K 7.79 4.53 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.41 7.81 18 W 8.00 4.67 0.00 3.32 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 19 E 8.33 3.78 0.00 2.02 2.02 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 2.39 2.59 0.00 20 S 8.23 4.21 0.00 4.06 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 21 Y 8.52 4.00 0.00 3.02 3.07 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 0.00 0.00 0.00 22 L 8.03 3.52 0.00 1.14 1.33 0.33 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.89 4.27 0.00 2.99 2.75 0.00 0.00 6.82 6.25 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 24 L 7.49 4.00 0.00 1.60 1.59 0.91 1.03 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 25 L 7.16 4.02 0.00 1.59 1.44 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.06 3.78 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 27 E 8.12 3.90 0.00 1.94 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 2.28 2.29 0.00 28 D 8.07 4.42 0.00 2.69 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 29 E 7.22 4.11 0.00 1.96 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 2.35 2.36 0.00 30 L 7.14 4.59 0.00 1.72 1.53 0.88 0.95 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 31 D 8.14 4.63 0.00 2.87 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 32 E 8.84 4.09 0.00 2.15 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 0.00 2.48 2.50 0.00 33 G 8.12 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 34 T 8.06 3.98 4.43 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 1.20 0.00 0.00 35 A 7.80 3.91 1.24 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 0.00 0.00 36 L 8.20 4.16 0.00 1.93 1.82 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.89 4.14 0.00 3.97 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 38 R 7.82 4.08 0.00 1.83 2.09 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 7.82 4.41 0.00 1.88 1.74 1.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.81 3.94 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 0.00 0.00 0.00 41 L 7.49 4.37 0.00 1.67 1.64 0.91 0.92 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 42 K 8.15 4.17 0.00 1.88 1.94 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 43 R 7.67 4.25 0.00 1.79 1.97 0.00 2.86 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 44 Y 8.39 4.24 0.00 3.27 3.25 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 45 C 7.37 4.06 0.00 3.08 2.90 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 46 C 7.90 4.21 0.00 3.09 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 47 R 8.10 3.96 0.00 2.09 2.02 0.00 3.23 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 48 R 8.57 3.97 0.00 2.06 2.28 0.00 2.82 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 49 M 7.29 3.80 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 50 I 7.45 3.84 1.64 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.22 0.00 0.00 51 L 7.60 3.95 0.00 1.60 1.78 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.58 4.15 4.46 0.00 0.00 0.00 0.00 0.00 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 53 H 7.73 4.14 0.00 3.05 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.03 4.14 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 0.85 0.00 0.00 0.98 0.00 0.00 55 D 8.04 4.35 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.62 3.86 0.00 1.35 0.87 0.91 0.89 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 57 I 7.45 3.55 1.67 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 1.65 1.35 0.85 0.00 0.00 58 E 7.71 4.12 0.00 2.09 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 2.62 2.59 0.00 59 K 8.57 4.51 0.00 1.98 2.03 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.54 7.81 60 F 8.28 4.28 0.00 2.98 3.14 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 0.00 0.00 0.00 0.00 61 L 8.17 4.28 0.00 1.82 1.79 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.57 4.08 0.00 1.70 1.86 0.00 3.25 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 63 Y 7.33 4.20 0.00 3.01 2.90 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 64 N 8.55 4.07 0.00 2.67 2.86 0.00 0.00 7.13 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 65 P 0.00 4.50 0.00 2.23 2.02 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00