NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2634 8.1133 117.2694 56.5630 30.1608 176.1777 11 S 4.0454 8.3885 111.3126 58.1257 62.9019 174.6366 12 G 3.6614 7.6112 113.0886 47.8844 0.0000 176.5000 13 R 3.9911 7.5866 115.0979 58.2607 29.9683 177.2186 14 F 5.0932 7.9220 117.2996 57.3378 40.0998 176.6549 15 G 3.6517 7.4788 110.3455 47.2515 0.0000 174.2057 16 A 4.4891 8.5959 127.8382 52.0272 18.8908 177.2321 17 R 4.0358 7.5608 117.1314 57.2079 31.4288 175.8267 18 Y 4.0383 7.7866 118.1883 57.0982 36.6768 170.5261 19 G 3.9698 7.9726 103.6953 44.7074 0.0000 173.1241 20 R 3.9047 8.0214 116.5599 58.8081 29.6733 179.0805 21 V 3.5729 7.7454 116.9545 66.9312 31.6995 178.2095 22 S 4.1132 8.2189 113.9226 62.0913 62.6462 176.7429 23 R 4.3709 8.1082 117.5140 58.2564 29.5259 178.7057 24 R 3.9283 8.5687 120.8515 59.6755 30.2122 178.4602 25 R 4.0411 8.3232 117.8951 58.8103 29.9379 179.1955 26 V 3.5803 7.7547 117.9545 65.5862 31.4638 177.9919 27 A 3.9215 7.8221 120.6650 55.1791 18.3224 179.2584 28 E 3.9061 8.0995 117.0027 59.8374 29.6151 179.8664 29 I 3.7316 7.7807 119.5149 64.5318 37.2050 178.4635 30 E 4.0894 8.4636 119.4839 58.9379 28.9968 179.2445 31 S 4.0350 8.4012 113.2462 61.5184 62.3420 175.5673 32 E 4.3667 8.2411 123.2758 58.9071 29.1197 178.4909 33 M 4.6080 7.9649 119.1255 57.9395 32.4664 177.1676 34 N 4.7595 8.0238 113.8835 53.0550 39.1747 175.3592 35 E 4.1565 7.2632 120.1285 56.0161 30.2676 175.7539 36 D 4.6683 8.3626 120.8557 54.8433 41.7929 175.6379 37 H 5.0696 8.6972 119.0179 53.5873 32.6761 172.8262 38 A 4.5397 8.6154 124.2597 51.7283 18.9811 176.8187 39 C 4.1627 9.5770 125.4659 59.2072 31.9895 172.8524 40 P 4.0606 0.0000 0.0000 65.5449 30.5233 176.7654 41 N 3.9646 6.9992 116.0636 56.0505 40.4203 177.1078 42 C 4.9416 7.2622 121.4679 57.3203 28.7565 175.4231 43 G 4.2321 8.5495 103.8938 45.4732 0.0000 172.1964 44 E 4.1120 8.0172 121.5323 55.2306 30.9774 176.2831 45 D 5.3726 7.9841 124.9636 53.1405 39.1522 176.5440 46 R 4.7524 7.5875 112.2819 55.9339 32.8769 176.6521 47 V 4.7863 8.1869 119.4656 62.2257 32.4546 174.6958 48 D 5.3914 9.3879 127.4749 52.2387 45.0887 175.3759 49 R 3.5592 8.7485 121.1637 56.2401 30.6324 176.2937 50 Q 4.2902 8.2970 123.9890 56.3205 30.6899 175.7808 51 G 3.6715 6.5518 103.2689 45.9613 0.0000 171.8504 52 T 3.6851 8.4025 118.5776 65.1050 67.8759 174.7767 53 G 4.3511 8.4705 115.2679 46.0046 0.0000 171.1066 54 I 4.6453 6.7933 120.7995 59.1822 39.3866 174.9302 55 W 5.2339 8.4089 125.8811 55.1908 33.4818 174.0933 56 Q 5.8392 9.0142 120.7810 56.2724 32.8182 172.4489 57 C 5.2761 8.9420 126.7388 58.4676 32.6014 174.3627 58 S 4.3291 9.1411 121.3563 60.4174 62.4449 174.3323 59 Y 4.5827 7.5123 122.9616 59.0427 39.0942 175.0658 60 C 4.0972 7.8818 115.9824 57.9169 30.7933 174.2446 61 D 4.6446 8.3909 119.4721 54.6631 38.6383 172.9805 62 Y 4.3433 7.9656 121.2492 58.2621 39.7107 174.5882 63 K 5.0063 8.5413 129.3357 54.9887 33.5978 175.0975 64 F 4.9833 9.1845 122.5163 55.7574 42.1143 172.8481 65 T 4.8723 8.6556 108.6222 60.6157 70.2120 174.7981 66 G 4.1015 8.0946 111.2223 45.3350 0.0000 171.6848 67 G 4.0820 8.8287 111.3972 44.9388 0.0000 174.7164 68 S 3.9474 8.3545 114.6087 60.8910 62.6803 175.1019 69 Y 5.1354 7.6990 113.9036 57.2622 39.6786 174.7557 70 K 4.5389 7.9714 119.4775 53.8338 36.1115 175.4619 71 P 2.9700 0.0000 0.0000 63.9190 31.5906 175.8408 72 E 4.6587 7.5172 118.1845 54.7129 33.3701 174.5214 73 T 4.6903 8.1806 112.7439 58.8878 71.3755 173.2502 74 P 4.3483 0.0000 0.0000 65.9482 31.3294 178.7908 75 G 3.8558 7.7557 104.6210 47.5086 0.0000 176.2600 76 G 3.6657 8.1468 108.1023 47.4158 0.0000 175.9893 77 K 4.1782 7.9445 119.3780 59.3736 32.5064 179.0894 78 T 4.0399 7.6605 116.4777 66.1418 68.1736 176.6264 79 V 3.6779 7.3990 119.0407 66.2862 31.2493 177.9041 80 R 3.9582 8.0339 115.5206 59.6571 30.0054 178.3002 81 R 4.0797 7.2377 114.5693 59.5214 30.2542 176.8335 82 S 4.3256 7.6346 117.3690 58.7678 62.9060 174.0231 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 10 R 8.11 4.26 0.00 1.97 1.89 0.00 2.92 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 11 S 8.39 4.05 0.00 4.05 4.09 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 12 G 7.61 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 0.00 0.00 0.00 0.00 13 R 7.59 3.99 0.00 1.87 1.95 0.00 2.85 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.09 0.00 14 F 7.92 5.09 0.00 3.38 3.33 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 0.00 0.00 0.00 0.00 15 G 7.48 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.60 4.49 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 17 R 7.56 4.04 0.00 1.13 0.66 0.00 2.82 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.00 18 Y 7.79 4.04 0.00 3.05 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 19 G 7.97 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 0.00 0.00 0.00 0.00 20 R 8.02 3.90 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 21 V 7.75 3.57 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 1.16 0.00 0.00 0.94 0.00 0.00 22 S 8.22 4.11 0.00 3.92 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 23 R 8.11 4.37 0.00 2.37 2.53 0.00 3.01 0.00 0.00 3.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.75 0.00 24 R 8.57 3.93 0.00 1.96 2.19 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 25 R 8.32 4.04 0.00 1.96 1.94 0.00 3.18 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 26 V 7.75 3.58 2.26 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 1.19 0.00 0.00 1.13 0.00 0.00 27 A 7.82 3.92 1.38 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 0.00 0.00 0.00 28 E 8.10 3.91 0.00 2.04 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 0.00 2.34 2.55 0.00 29 I 7.78 3.73 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.59 0.00 0.00 30 E 8.46 4.09 0.00 2.06 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 2.28 2.43 0.00 31 S 8.40 4.04 0.00 3.92 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 32 E 8.24 4.37 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 33 M 7.96 4.61 0.00 2.36 2.45 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.62 0.00 34 N 8.02 4.76 0.00 2.81 2.88 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.26 4.16 0.00 2.05 1.78 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 2.33 2.54 0.00 36 D 8.36 4.67 0.00 2.53 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 37 H 8.70 5.07 0.00 3.20 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.62 4.54 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.58 4.16 0.00 3.10 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 40 P 0.00 4.06 0.00 1.79 1.90 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.84 0.00 41 N 7.00 3.96 0.00 1.96 2.50 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.26 4.94 0.00 3.24 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 0.00 0.00 0.00 0.00 43 G 8.55 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.02 4.11 0.00 2.16 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 1.99 2.29 0.00 45 D 7.98 5.37 0.00 2.59 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 46 R 7.59 4.75 0.00 1.83 1.96 0.00 2.96 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 47 V 8.19 4.79 2.41 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 1.15 0.00 0.00 1.21 0.00 0.00 48 D 9.39 5.39 0.00 2.75 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 49 R 8.75 3.56 0.00 1.25 1.57 0.00 2.99 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 50 Q 8.30 4.29 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 51 G 6.55 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.40 3.69 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 1.07 0.00 0.00 53 G 8.47 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 6.79 4.65 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.92 0.73 0.00 0.00 55 W 8.41 5.23 0.00 1.87 2.83 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 56 Q 9.01 5.84 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 57 C 8.94 5.28 0.00 3.28 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 58 S 9.14 4.33 0.00 4.10 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 59 Y 7.51 4.58 0.00 2.89 2.96 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 60 C 7.88 4.10 0.00 2.99 2.75 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 61 D 8.39 4.64 0.00 2.93 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 62 Y 7.97 4.34 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 63 K 8.54 5.01 0.00 1.80 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.38 7.81 64 F 9.18 4.98 0.00 2.96 2.24 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 65 T 8.66 4.87 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 1.21 0.00 0.00 66 G 8.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.83 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 68 S 8.35 3.95 0.00 3.07 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 69 Y 7.70 5.14 0.00 3.16 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 70 K 7.97 4.54 0.00 1.71 1.56 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.52 7.81 71 P 0.00 2.97 0.00 1.80 0.74 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 72 E 7.52 4.66 0.00 1.82 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 2.23 0.00 73 T 8.18 4.69 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 74 P 0.00 4.35 0.00 2.05 2.20 0.00 3.68 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 2.05 2.19 0.00 75 G 7.76 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 0.00 0.00 0.00 76 G 8.15 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.94 4.18 0.00 1.74 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.67 7.81 78 T 7.66 4.04 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 1.21 0.00 0.00 79 V 7.40 3.68 2.26 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 1.04 0.00 0.00 0.94 0.00 0.00 80 R 8.03 3.96 0.00 1.81 2.00 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 81 R 7.24 4.08 0.00 2.03 2.03 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 82 S 7.63 4.33 0.00 3.82 3.77 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