NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2912 8.3001 120.3285 56.7431 33.3856 174.0019 2 A 3.6211 8.6254 117.4220 52.9585 15.0203 173.6890 3 E 3.8970 8.2438 122.1801 57.1757 31.4656 175.7248 4 D 4.3907 6.9853 119.9560 53.5845 43.4448 172.5334 5 W 5.1461 8.7522 124.3859 55.3658 30.0630 175.5301 6 L 4.9779 9.4612 125.5818 52.5696 44.5106 176.1619 7 D 4.7982 8.7033 121.1286 55.4936 42.3098 176.8102 8 C 4.8257 8.5126 119.6098 57.9599 32.3727 172.2247 9 P 4.5462 0.0000 0.0000 63.4006 31.4799 178.6636 10 A 4.1445 7.4228 121.1608 54.4001 17.9450 176.9303 11 L 4.4436 6.6679 112.3330 53.7027 44.6082 178.6311 12 G 4.1256 7.1336 105.1339 45.1009 0.0000 169.9852 13 P 4.5234 0.0000 0.0000 63.8200 32.3059 174.9926 14 G 4.4587 9.0734 109.0488 46.5881 0.0000 174.0356 15 W 4.6972 7.3987 117.7979 56.3074 30.0475 176.4217 16 K 5.1477 9.1690 121.7072 54.8820 35.9707 175.5824 17 R 5.7982 10.0738 121.3828 54.8326 32.8488 174.6929 18 R 5.1276 9.0928 119.8210 53.7810 34.1069 172.9821 19 E 4.8656 8.4746 122.9014 54.3460 32.4110 175.6397 20 V 4.2361 8.6595 125.0627 60.4175 34.0797 175.6013 21 F 4.7961 8.5333 134.7984 58.2392 38.9751 175.4503 22 R 3.5469 7.8187 119.0497 56.8270 29.6817 176.0264 23 K 4.4234 8.5956 113.5924 56.4704 35.3402 175.9176 24 S 4.5817 8.1107 109.9945 58.8052 68.2957 174.7430 25 G 4.0778 10.1765 115.4298 45.0291 0.0000 173.7390 26 A 4.6124 8.4659 118.2296 53.4995 25.1181 178.8388 27 T 4.1814 7.8879 103.4477 62.0069 69.3611 173.8036 28 C 3.6952 7.1099 121.7315 61.6548 31.7679 173.7806 29 G 3.6929 8.6352 113.7428 44.9708 0.0000 173.7715 30 R 4.3615 7.4032 119.1601 55.3466 32.0150 175.6206 31 S 5.3316 8.5740 116.6242 56.9417 65.0060 172.8539 32 D 5.0285 9.5783 125.5289 52.6016 43.5983 175.1862 33 T 5.3021 7.9288 119.8742 61.5548 70.0131 173.6333 34 Y 3.9311 8.2086 123.7223 55.9001 41.4609 174.2836 35 Y 5.8372 8.0483 119.7210 55.8909 41.8773 173.9431 36 Q 4.8791 9.1533 123.3045 54.5634 31.6185 175.3344 37 S 2.0000 8.8387 121.2253 57.1735 63.8688 173.0957 38 P 4.6966 0.0000 0.0000 63.9423 31.5794 177.7939 39 T 4.3466 6.7618 110.3044 61.9150 69.0007 171.9005 40 G 3.4113 7.5547 115.0772 43.2500 0.0000 170.6730 41 D 4.2815 6.8228 126.1739 54.0740 44.6120 174.7349 42 R 4.5828 8.5709 127.0350 55.3101 30.9291 174.8678 43 I 5.1016 8.3816 127.4447 59.1386 39.3774 176.9279 44 R 4.6117 8.9667 123.7339 56.1546 31.6429 175.6324 45 S 5.2269 7.6638 111.5318 56.8757 65.2934 174.0969 46 K 3.7317 9.0164 119.7863 59.7996 31.9175 179.8037 47 V 3.6924 7.8018 118.0221 66.3269 30.9817 177.3951 48 E 4.0446 8.4016 117.6142 59.6627 29.1431 179.2433 49 L 4.1565 7.6680 120.1063 58.4912 41.9647 179.0465 50 T 3.9866 8.3251 114.7614 65.9272 68.5165 176.5601 51 R 4.1422 8.0454 121.1017 59.2114 30.1225 178.0958 52 Y 4.3744 7.9602 119.4354 60.1364 39.0256 177.1482 53 L 4.2711 7.5890 118.1211 54.4417 42.5911 177.2344 54 G 4.1249 8.0190 106.6502 44.0994 0.0000 173.1568 55 P 4.2060 0.0000 0.0000 65.2039 31.6692 177.7893 56 A 4.1008 7.9068 120.6237 54.4414 19.0803 177.6880 57 C 4.3879 7.2303 116.2416 58.1996 26.6382 172.4310 58 D 4.5458 7.6046 120.5933 54.6056 42.5556 175.9545 59 L 4.8320 7.8389 119.1391 53.7989 42.1663 177.8732 60 T 4.0205 7.8073 115.3000 65.8232 69.6191 176.0166 61 L 4.5102 7.9372 120.3115 54.2927 41.8759 174.9799 62 F 4.8932 7.7534 122.0635 56.5945 40.5415 174.8504 63 D 4.5633 7.3777 127.9400 53.1505 41.1799 177.4417 64 F 4.3356 8.9057 127.0727 60.4705 39.7263 175.7203 65 K 4.2924 8.1048 119.3671 57.0380 32.6460 176.5850 66 Q 4.2413 7.7461 115.0398 56.2680 31.6272 175.2811 67 G 3.0084 9.3771 103.5463 44.6798 0.0000 172.8281 68 I 4.4437 5.9901 109.9212 59.6826 40.7276 174.7567 69 L 5.1293 7.9621 122.7303 52.1597 40.3133 175.6065 70 C 3.9304 8.3553 122.7580 61.6734 31.7649 173.6196 71 Y 4.4200 7.6778 118.2582 54.6416 40.5686 171.8134 72 P 4.3256 0.0000 0.0000 63.6677 31.8151 175.8388 73 A 4.8340 7.8098 120.8555 48.7215 22.3656 173.5190 74 P 4.4640 0.0000 0.0000 63.4489 32.1896 176.5487 75 K 4.1633 7.7186 125.5452 55.6302 32.4751 176.2149 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 4.29 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 A 8.63 3.62 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 3 E 8.24 3.90 0.00 1.76 1.75 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 2.20 2.28 0.00 4 D 6.99 4.39 0.00 2.60 2.37 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 5 W 8.75 5.15 0.00 3.29 3.11 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 0.00 0.00 0.00 0.00 6 L 9.46 4.98 0.00 1.64 1.62 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.70 4.80 0.00 2.63 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 8 C 8.51 4.83 0.00 3.20 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 9 P 0.00 4.55 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 10 A 7.42 4.14 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 11 L 6.67 4.44 0.00 0.58 1.07 -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.13 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 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.23 2.11 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 14 G 9.07 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 0.00 0.00 0.00 0.00 15 W 7.40 4.70 0.00 3.65 3.28 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 16 K 9.17 5.15 0.00 1.37 1.46 0.00 1.87 0.00 0.00 1.96 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.33 7.81 17 R 10.07 5.80 0.00 2.29 2.34 0.00 2.85 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 18 R 9.09 5.13 0.00 0.67 0.96 0.00 2.41 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.99 0.00 19 E 8.47 4.87 0.00 1.93 1.74 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 0.00 2.19 2.24 0.00 20 V 8.66 4.24 2.43 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 0.96 0.00 0.00 0.95 0.00 0.00 21 F 8.53 4.80 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.55 0.00 1.81 1.80 0.00 3.37 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 23 K 8.60 4.42 0.00 1.62 1.71 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.37 7.81 24 S 8.11 4.58 0.00 3.94 3.83 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 0.00 0.00 0.00 25 G 10.18 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.47 4.61 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 27 T 7.89 4.18 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 1.20 0.00 0.00 28 C 7.11 3.70 0.00 2.88 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 29 G 8.64 3.69 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 0.00 0.00 0.00 30 R 7.40 4.36 0.00 1.72 1.82 0.00 3.06 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 31 S 8.57 5.33 0.00 4.09 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 32 D 9.58 5.03 0.00 2.91 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 33 T 7.93 5.30 3.97 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 0.00 0.00 1.25 0.00 0.00 34 Y 8.21 3.93 0.00 2.72 2.77 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 0.00 0.00 0.00 35 Y 8.05 5.84 0.00 3.55 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 36 Q 9.15 4.88 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 37 S 8.84 2.00 0.00 3.19 3.34 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 0.00 38 P 0.00 4.70 0.00 2.21 2.24 0.00 3.58 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 39 T 6.76 4.35 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 1.23 0.00 0.00 40 G 7.55 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 41 D 6.82 4.28 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.57 4.58 0.00 1.80 1.86 0.00 3.38 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 43 I 8.38 5.10 2.50 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 1.30 0.00 0.00 44 R 8.97 4.61 0.00 1.91 2.04 0.00 3.40 0.00 0.00 3.68 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 45 S 7.66 5.23 0.00 4.25 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 0.00 46 K 9.02 3.73 0.00 2.04 1.87 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.48 7.81 47 V 7.80 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 48 E 8.40 4.04 0.00 2.15 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 0.00 2.49 2.45 0.00 49 L 7.67 4.16 0.00 1.65 1.34 0.34 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.33 3.99 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 1.26 0.00 0.00 51 R 8.05 4.14 0.00 2.17 2.03 0.00 3.35 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 52 Y 7.96 4.37 0.00 2.98 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 53 L 7.59 4.27 0.00 1.68 1.71 0.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.21 0.00 2.19 2.20 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 56 A 7.91 4.10 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 57 C 7.23 4.39 0.00 3.13 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 58 D 7.60 4.55 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.84 4.83 0.00 1.56 1.44 0.59 0.58 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 60 T 7.81 4.02 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 1.22 0.00 0.00 61 L 7.94 4.51 0.00 1.76 1.82 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.75 4.89 0.00 2.88 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 63 D 7.38 4.56 0.00 2.37 2.39 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 64 F 8.91 4.34 0.00 3.21 3.17 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 0.00 65 K 8.10 4.29 0.00 1.88 1.85 0.00 1.91 0.00 0.00 2.02 0.00 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.59 7.81 66 Q 7.75 4.24 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.10 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 67 G 9.38 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 0.00 0.00 0.00 68 I 5.99 4.44 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.84 0.00 0.00 69 L 7.96 5.13 0.00 1.64 1.68 0.92 1.08 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 70 C 8.36 3.93 0.00 2.92 3.06 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 71 Y 7.68 4.42 0.00 2.99 2.77 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 0.00 0.00 0.00 72 P 0.00 4.33 0.00 2.22 1.93 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 73 A 7.81 4.83 1.26 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 0.00 0.00 74 P 0.00 4.46 0.00 2.18 1.96 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 75 K 7.72 4.16 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81