NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4703 8.3349 115.3045 57.8926 63.7673 173.2124 8 D 4.7776 8.4100 124.4451 52.5876 42.1853 174.2546 9 F 5.3151 8.8027 115.3835 55.4536 42.0425 173.6911 10 V 4.5272 8.7858 112.5161 59.5499 35.0440 174.8363 11 V 4.8377 8.5931 124.3126 61.3507 33.8590 174.4266 12 I 4.9201 9.0653 128.4274 59.4517 40.6451 174.1279 13 K 5.0193 9.0827 129.3726 54.2682 34.1441 175.1374 14 A 4.4121 8.7421 130.7262 52.3019 19.0347 177.3897 15 L 4.6742 8.9350 122.7909 54.7088 42.3969 176.2378 16 E 4.6903 7.6885 115.3711 54.8768 32.1090 174.6023 17 D 4.4535 8.3901 119.8521 55.8769 41.3304 176.8716 18 G 3.8602 8.7753 110.2619 45.8065 0.0000 173.8660 19 V 3.8862 7.4737 119.4298 63.0338 32.8883 174.5473 20 N 5.2881 9.1175 124.4975 51.4722 41.5778 173.4853 21 V 4.5432 8.8084 124.8406 61.3637 33.5265 174.2754 22 I 4.6963 8.6373 129.8553 59.3173 39.7874 175.0887 23 G 4.0679 8.7434 114.9327 45.4255 0.0000 172.4448 24 L 5.5481 8.7807 125.0807 52.8908 44.3544 176.1504 25 T 4.6192 8.6127 113.9366 61.7462 69.3929 174.2715 26 R 4.3364 7.8660 126.2272 56.5112 30.9990 174.8801 27 G 3.7442 8.7882 109.8800 43.8306 0.0000 173.2488 28 A 4.0670 8.4933 121.3769 54.3764 18.6189 177.6099 29 D 4.6862 7.8806 114.9517 53.5742 42.2865 175.3234 30 T 4.8175 8.2980 122.3256 61.8705 71.1328 173.2543 31 R 4.6141 8.8104 121.8556 54.8566 33.6393 174.0619 32 F 5.3000 8.6146 118.9602 57.9990 39.0184 175.3354 33 H 5.0035 9.0131 118.1824 56.0398 30.4670 173.8259 34 H 4.6915 7.6497 117.3944 55.1450 33.3047 172.0639 35 S 4.7683 8.3418 119.9468 56.4500 64.3865 172.4664 36 E 4.3371 9.1783 130.2205 55.0084 30.7753 174.7269 37 K 4.8298 8.6021 128.8284 55.4988 33.5224 175.4271 38 L 4.9680 9.2573 127.6960 53.1775 44.8940 175.9430 39 D 5.0786 9.4251 123.3389 52.0947 43.7173 175.8913 40 K 3.9490 8.8145 121.5994 58.5591 32.2640 176.9599 41 G 4.0277 9.0252 115.3383 45.2879 0.0000 173.5800 42 E 4.2167 8.0826 119.6794 56.3322 30.7300 176.0345 43 V 4.9350 8.3043 122.2976 61.0043 34.2782 174.2906 44 L 4.7835 9.1153 129.4072 53.2374 45.1250 174.9464 45 I 5.0658 8.5300 126.0282 59.6480 39.4387 174.5543 46 A 4.7464 9.1136 129.5459 50.0796 21.8357 175.3335 47 Q 4.8357 8.5918 120.6508 54.8706 30.5108 175.7627 48 F 4.6893 8.4152 120.3092 58.0535 39.9165 175.1561 49 T 4.6686 8.6309 110.8362 60.3307 71.8340 173.0208 50 E 4.0111 8.9550 121.2740 59.5915 29.6523 177.5154 51 H 4.5389 8.1683 114.3103 56.6797 29.8744 174.3985 52 T 5.3238 8.3686 117.1489 61.7802 70.9360 174.6213 53 S 5.0018 9.1363 119.1731 57.9220 64.9632 173.3145 54 A 5.0425 7.9196 121.1850 51.2016 22.5310 175.1416 55 I 4.9765 8.5514 120.2337 59.2985 40.8171 174.8399 56 K 4.5475 8.9457 127.4408 54.5073 35.0633 174.5646 57 V 4.7313 8.4132 126.9641 61.1614 33.3515 174.4506 58 R 4.4645 8.8418 128.4042 55.3947 32.5471 174.5439 59 G 4.1707 9.0585 111.8831 43.5719 0.0000 172.6272 60 K 4.4905 9.4181 121.3517 56.2035 33.1047 175.6176 61 A 5.0803 8.7852 127.5512 51.0382 23.3701 173.8705 62 Y 4.8263 9.1575 122.4222 56.2904 40.7526 174.5394 63 I 5.0884 8.3645 127.0120 59.5642 41.1894 174.2798 64 Q 5.0694 9.0315 125.5295 54.3234 31.7868 174.8817 65 T 4.8594 8.5224 113.0738 59.2976 72.2849 174.6693 66 R 3.7121 8.5020 120.6217 59.5326 29.8784 176.5589 67 H 4.6416 7.8385 112.6763 55.2726 29.7020 174.0619 68 G 3.8172 7.4501 105.7554 44.1061 0.0000 172.8923 69 V 4.4830 8.0661 120.6078 61.9053 33.2439 176.4760 70 I 4.6034 8.2794 124.9913 59.6358 41.9716 173.0924 71 E 5.1414 8.5729 126.2789 54.5067 32.4079 175.7453 72 S 4.6544 8.7178 119.2682 57.6350 65.3014 172.8607 73 E 4.9449 8.5437 120.6258 54.4160 32.1392 176.3868 74 G 3.8082 8.7214 112.9883 44.6170 0.0000 173.3584 75 K 4.1061 8.4216 119.3696 56.5527 32.2006 176.5540 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 7 S 8.33 4.47 0.00 3.92 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 8 D 8.41 4.78 0.00 2.94 2.74 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 0.00 0.00 0.00 9 F 8.80 5.32 0.00 3.05 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 10 V 8.79 4.53 2.01 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 0.55 0.00 0.00 0.87 0.00 0.00 11 V 8.59 4.84 2.16 0.00 0.00 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 0.00 0.00 1.16 0.00 0.00 12 I 9.07 4.92 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.92 0.00 0.00 13 K 9.08 5.02 0.00 1.86 1.76 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.74 4.41 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 15 L 8.94 4.67 0.00 1.64 1.72 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.69 4.69 0.00 2.03 1.88 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 2.19 2.32 0.00 17 D 8.39 4.45 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 18 G 8.78 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 19 V 7.47 3.89 2.08 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 0.96 0.00 0.00 1.04 0.00 0.00 20 N 9.12 5.29 0.00 2.57 2.60 0.00 0.00 6.38 8.42 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 21 V 8.81 4.54 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 0.76 0.00 0.00 0.90 0.00 0.00 22 I 8.64 4.70 1.38 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.41 -0.17 0.00 0.00 23 G 8.74 4.07 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 0.00 0.00 0.00 24 L 8.78 5.55 0.00 1.88 1.70 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.61 4.62 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 7.87 4.34 0.00 1.91 1.96 0.00 3.21 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.79 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.49 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.69 0.00 2.64 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 30 T 8.30 4.82 4.26 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 1.27 0.00 0.00 31 R 8.81 4.61 0.00 1.82 1.98 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 32 F 8.61 5.30 0.00 2.90 2.87 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 33 H 9.01 5.00 0.00 3.13 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.65 4.69 0.00 3.29 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.34 4.77 0.00 3.77 3.63 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 36 E 9.18 4.34 0.00 2.13 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 2.27 2.29 0.00 37 K 8.60 4.83 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.45 7.81 38 L 9.26 4.97 0.00 1.56 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.43 5.08 0.00 2.54 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 40 K 8.81 3.95 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 9.03 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.08 4.22 0.00 2.04 1.88 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 2.32 2.35 0.00 43 V 8.30 4.94 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.12 4.78 0.00 1.72 1.45 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.53 5.07 1.79 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 0.82 0.81 0.00 0.00 46 A 9.11 4.75 1.12 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 47 Q 8.59 4.84 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 48 F 8.42 4.69 0.00 3.04 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 49 T 8.63 4.67 4.30 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 1.29 0.00 0.00 50 E 8.96 4.01 0.00 1.93 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 2.06 2.28 0.00 51 H 8.17 4.54 0.00 3.27 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.37 5.32 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 1.35 0.00 0.00 53 S 9.14 5.00 0.00 3.87 4.07 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 54 A 7.92 5.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.98 1.83 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.83 0.00 0.00 56 K 8.95 4.55 0.00 1.72 1.39 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.32 7.81 57 V 8.41 4.73 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.84 4.46 0.00 1.86 1.69 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.06 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 0.00 0.00 0.00 60 K 9.42 4.49 0.00 1.85 1.71 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.79 5.08 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 62 Y 9.16 4.83 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 5.09 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.91 0.00 0.00 64 Q 9.03 5.07 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 65 T 8.52 4.86 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 1.15 0.00 0.00 66 R 8.50 3.71 0.00 1.60 1.78 0.00 3.19 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 67 H 7.84 4.64 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.45 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 0.00 0.00 0.00 69 V 8.07 4.48 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 0.16 0.00 0.00 0.84 0.00 0.00 70 I 8.28 4.60 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.84 0.00 0.00 71 E 8.57 5.14 0.00 1.83 1.83 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 2.24 2.13 0.00 72 S 8.72 4.65 0.00 3.95 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 73 E 8.54 4.94 0.00 1.83 1.87 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 2.20 2.27 0.00 74 G 8.72 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 75 K 8.42 4.11 0.00 1.74 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81