NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.8995 8.2798 113.8125 61.9728 33.3016 173.8309 2 R 4.4184 8.0126 117.1943 55.0799 32.8525 171.6114 3 D 4.8457 8.4117 121.4141 52.8489 43.1301 177.0077 4 A 3.1725 6.8365 123.4202 51.3125 24.0060 174.0997 5 Y 5.0354 8.0980 116.1667 56.7298 38.9056 175.8227 6 I 4.3123 8.5607 125.0336 60.9270 39.0696 174.5820 7 A 5.0705 8.7215 130.0025 50.0537 21.2590 176.4924 8 K 4.2371 8.0427 120.2160 53.9725 34.7365 174.3935 9 P 4.2296 0.0000 0.0000 63.1482 31.6777 176.2028 10 H 4.5132 8.2148 118.1373 54.6680 29.6518 173.2022 11 N 4.4042 8.5734 125.8468 55.0428 36.7040 174.2531 12 C 4.8600 7.6608 112.8568 54.8662 43.9615 174.9060 13 V 4.2979 7.9006 115.9171 61.2065 33.1514 175.1023 14 Y 4.6235 8.4972 119.1897 56.3282 38.7306 175.7831 15 E 4.6694 8.8085 123.0647 57.0026 30.4280 175.1001 16 C 4.7451 8.8529 113.8649 54.6488 44.6731 173.5794 17 A 4.6510 8.3499 120.8749 51.4835 20.2990 176.9497 18 R 5.0003 7.5800 113.2252 53.6514 35.5717 175.7854 19 N 4.4644 8.8932 118.6381 56.4481 38.6356 177.5390 20 E 3.9925 8.2993 118.7325 59.6351 29.5241 178.5033 21 Y 4.0535 8.0453 119.9273 60.7132 38.9423 178.5951 22 C 4.0100 7.8620 117.1877 59.7970 41.2799 175.5056 23 N 4.2773 8.4582 119.0803 56.6775 38.5978 176.5091 24 N 4.2067 7.9458 118.4712 56.4754 39.2298 176.6948 25 L 3.6310 7.6580 122.0837 58.1319 41.9589 178.4091 26 C 4.2544 8.5948 117.0845 60.1718 35.4365 176.2118 27 T 3.7828 7.9253 111.2122 64.3615 68.1591 176.6062 28 K 3.9770 7.6746 121.4949 58.6439 32.1246 177.3829 29 N 4.8140 7.3053 113.8392 52.7034 38.9568 175.9863 30 G 3.8074 7.8096 108.1749 45.1286 0.0000 174.1876 31 A 4.6632 7.5780 121.9585 50.9806 19.0545 178.1987 32 K 4.0763 8.5454 119.4904 58.1587 32.4388 177.5199 33 S 4.6334 7.3751 111.7501 59.0735 65.5231 175.8212 34 G 4.4203 8.4251 105.9747 46.3534 0.0000 171.5048 35 Y 5.0578 8.0972 117.3286 55.9775 42.0243 172.7370 36 C 4.8063 9.0472 120.6853 55.8395 44.9470 172.2275 37 Q 4.8402 8.7472 127.6791 54.5027 30.1583 175.9041 38 W 4.5332 9.2632 125.4510 57.3110 30.8033 176.3098 39 S 4.7896 8.3669 113.0934 57.4004 62.8639 173.4487 40 G 4.1124 7.8826 111.3112 45.0703 0.0000 173.7219 41 K 3.6850 8.8930 119.2244 59.0884 31.9878 177.7142 42 Y 4.5369 7.7542 113.0465 57.1742 39.5751 176.3666 43 G 4.1068 7.8040 109.2030 45.3919 0.0000 175.4616 44 N 4.7958 8.9210 123.8846 51.9965 39.4555 173.7358 45 G 4.6681 8.4530 117.9476 46.0711 0.0000 170.9595 46 C 5.0631 8.7734 120.1348 56.6669 41.8465 172.5471 47 W 4.7762 9.2273 133.7293 55.6226 33.1508 173.4232 48 C 5.1571 8.4119 124.2263 55.0535 44.3422 172.9624 49 I 4.3854 8.2776 124.2811 59.8007 38.1397 175.6941 50 E 3.8530 8.3453 128.4784 57.0209 26.8794 174.4306 51 L 4.2591 7.8379 121.5983 53.4960 43.4622 174.2730 52 P 4.6154 0.0000 0.0000 62.5715 31.8466 177.3814 53 D 4.3840 8.6198 121.2607 56.8155 40.8809 177.3240 54 N 4.5560 7.9160 114.7328 53.6441 38.1847 175.6255 55 V 3.7640 7.1676 119.5296 61.7719 32.3046 173.7158 56 P 4.5510 0.0000 0.0000 62.7230 32.2076 175.3153 57 I 5.0833 8.0894 116.4360 58.5821 41.1972 174.7543 58 R 4.0723 8.7012 124.2175 56.3105 30.1087 176.1791 59 V 4.5577 8.4708 119.2481 58.3307 34.8141 173.7096 60 P 4.5443 0.0000 0.0000 63.6784 32.2038 176.1538 61 G 3.7928 8.1323 105.6290 44.5374 0.0000 172.8687 62 K 4.4130 8.3554 123.2093 54.6387 34.2802 176.6673 63 C 4.8931 8.3271 123.7473 54.6689 43.1544 173.2340 64 H 4.5074 8.5395 123.2081 55.9920 28.4562 174.8330 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 V 8.28 4.90 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 0.61 0.00 0.00 0.90 0.00 0.00 2 R 8.01 4.42 0.00 1.85 1.92 0.00 2.87 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 3 D 8.41 4.85 0.00 2.49 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 0.00 0.00 0.00 0.00 4 A 6.84 3.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 5.04 0.00 2.92 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 6 I 8.56 4.31 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 1.45 0.87 0.92 0.00 0.00 7 A 8.72 5.07 1.18 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 0.00 0.00 0.00 8 K 8.04 4.24 0.00 1.49 0.74 0.00 0.88 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.85 1.08 7.81 9 P 0.00 4.23 0.00 1.82 1.63 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 10 H 8.21 4.51 0.00 3.21 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.57 4.40 0.00 2.95 2.98 0.00 0.00 6.87 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 12 C 7.66 4.86 0.00 2.81 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 13 V 7.90 4.30 2.19 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 0.26 0.00 0.00 0.99 0.00 0.00 14 Y 8.50 4.62 0.00 2.95 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 15 E 8.81 4.67 0.00 1.97 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 2.30 2.26 0.00 16 C 8.85 4.75 0.00 3.03 3.15 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 17 A 8.35 4.65 1.35 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 18 R 7.58 5.00 0.00 1.88 2.15 0.00 3.44 0.00 0.00 3.42 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 19 N 8.89 4.46 0.00 2.84 2.99 0.00 0.00 6.63 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 20 E 8.30 3.99 0.00 2.22 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 0.00 2.46 2.38 0.00 21 Y 8.05 4.05 0.00 3.10 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 22 C 7.86 4.01 0.00 2.96 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 23 N 8.46 4.28 0.00 2.98 2.93 0.00 0.00 6.84 7.24 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 24 N 7.95 4.21 0.00 2.91 2.72 0.00 0.00 6.85 6.82 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 25 L 7.66 3.63 0.00 0.93 1.22 0.19 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.59 4.25 0.00 2.88 2.97 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 27 T 7.93 3.78 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 1.18 0.00 0.00 28 K 7.67 3.98 0.00 1.91 1.78 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 29 N 7.31 4.81 0.00 2.90 2.73 0.00 0.00 7.18 7.53 0.00 0.00 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 G 7.81 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 31 A 7.58 4.66 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 32 K 8.55 4.08 0.00 1.95 1.87 0.00 2.00 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 33 S 7.38 4.63 0.00 3.94 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 34 G 8.43 4.42 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 0.00 35 Y 8.10 5.06 0.00 3.27 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 36 C 9.05 4.81 0.00 3.09 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 37 Q 8.75 4.84 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.02 2.49 0.00 38 W 9.26 4.53 0.00 3.51 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 39 S 8.37 4.79 0.00 4.00 3.95 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 40 G 7.88 4.11 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 0.00 0.00 0.00 41 K 8.89 3.68 0.00 1.71 1.87 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.46 1.14 7.81 42 Y 7.75 4.54 0.00 2.19 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 43 G 7.80 4.11 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 0.00 0.00 0.00 44 N 8.92 4.80 0.00 2.81 2.76 0.00 0.00 6.68 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 45 G 8.45 4.67 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 46 C 8.77 5.06 0.00 3.02 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 47 W 9.23 4.78 0.00 2.81 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.41 5.16 0.00 2.48 2.67 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 49 I 8.28 4.39 1.95 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 1.35 0.70 0.92 0.00 0.00 50 E 8.35 3.85 0.00 2.19 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 2.18 2.20 0.00 51 L 7.84 4.26 0.00 1.53 1.38 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 2.17 1.92 0.00 3.66 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 2.07 2.07 0.00 53 D 8.62 4.38 0.00 2.64 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 54 N 7.92 4.56 0.00 2.79 2.92 0.00 0.00 6.00 7.68 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 55 V 7.17 3.76 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 0.75 0.00 0.00 0.89 0.00 0.00 56 P 0.00 4.55 0.00 2.10 1.94 0.00 3.59 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 2.10 2.07 0.00 57 I 8.09 5.08 1.92 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 1.20 0.65 0.84 0.00 0.00 58 R 8.70 4.07 0.00 1.52 1.55 0.00 3.05 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 V 8.47 4.56 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 0.99 0.00 0.00 60 P 0.00 4.54 0.00 2.09 2.08 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 61 G 8.13 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.36 4.41 0.00 1.62 1.54 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 1.25 7.81 63 C 8.33 4.89 0.00 2.99 2.88 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 64 H 8.54 4.51 0.00 3.21 3.12 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00