NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1749 7.9133 120.6711 62.9564 33.2943 174.0805 3 D 5.4730 8.6885 126.9878 52.5891 43.9739 173.4797 4 Y 5.1648 9.3403 118.4355 56.3172 42.5722 174.0032 5 I 4.7674 8.7794 122.6459 59.3450 40.6300 174.6586 6 V 4.2041 8.6999 129.7577 62.9595 31.8913 175.9595 7 E 4.3531 9.4605 127.1000 56.6956 31.2866 175.8896 8 Y 4.8832 7.8238 115.7227 55.8664 41.9915 174.8796 9 D 4.8850 9.1756 123.2021 55.3155 41.8113 175.3113 10 Y 4.8275 9.1380 122.6199 55.9267 42.6354 173.3521 11 D 4.9926 7.3619 124.6789 51.8433 43.1808 176.0981 12 A 4.0467 8.1743 126.8377 52.4387 18.9231 177.2467 13 V 4.1267 8.8378 121.1343 63.1671 33.3367 175.2745 14 H 5.0786 7.8859 115.0464 53.5897 32.4694 173.9623 15 D 4.4258 8.7164 120.8012 57.2808 40.9998 177.3498 16 D 4.6504 8.1128 116.7625 53.7566 39.8901 175.2459 17 E 5.1711 7.9186 119.6304 55.4658 31.4098 175.3564 18 L 4.6750 9.0863 122.8981 53.9602 43.2748 176.4011 19 T 4.6125 8.5045 120.6303 62.8037 69.4506 174.1918 20 I 4.9027 8.8862 119.5363 59.1681 41.5884 174.5425 21 R 5.1359 9.1343 121.8996 53.9146 34.3327 175.0937 22 V 3.7431 8.4431 121.5813 65.0976 31.7025 176.3692 23 G 4.0183 8.9832 116.3359 45.1037 0.0000 173.5945 24 E 4.1798 8.1333 119.6043 56.5008 30.8243 175.9592 25 I 4.7067 8.1878 123.6138 60.0693 38.8155 175.1210 26 I 4.4766 8.7682 129.2776 60.2903 38.6123 175.1982 27 R 4.9247 8.9262 124.0160 54.6372 32.0050 175.3829 28 N 4.4626 8.8449 117.7308 54.8122 37.5020 174.4913 29 V 4.2954 8.0645 118.1134 62.8112 33.1067 176.2505 30 K 4.7843 9.2130 125.9309 54.4138 36.1707 176.0042 31 K 4.5179 8.7030 122.3324 56.4060 33.0006 176.2428 32 L 4.6900 7.6422 121.8651 52.8870 43.9700 176.8067 33 Q 4.0769 8.8462 119.6445 59.2057 28.4924 178.1057 34 E 4.0950 7.9806 118.0041 55.7906 29.9657 175.8508 35 E 4.1119 8.7037 125.5283 57.4871 30.4703 176.8419 36 G 3.9091 9.2807 113.9088 44.6812 0.0000 172.2864 37 W 5.0585 7.8242 118.5948 54.6854 32.7376 174.6311 38 L 4.8604 8.7522 122.5973 52.6698 45.5865 174.8305 39 E 4.9498 8.2590 120.8401 54.7240 32.8532 175.0252 40 G 4.4124 8.9663 112.1381 46.0931 0.0000 170.9365 41 E 5.3326 8.8905 120.6956 54.2181 32.2276 174.5961 42 L 4.7733 8.9513 128.4320 53.7615 45.5852 175.6489 43 N 4.1876 9.7683 124.6303 54.7798 37.1089 174.4495 44 G 3.9625 8.1614 102.5646 45.7039 0.0000 172.4263 45 R 4.6983 7.8916 119.8847 54.3968 33.4130 174.1770 46 R 5.1323 8.4660 124.2784 55.0792 32.3516 175.4389 47 G 4.2333 8.9799 108.8499 46.2388 0.0000 172.0111 48 M 5.2754 8.8541 118.4132 54.2147 34.0359 174.9872 49 F 5.0852 8.1855 112.4968 55.5895 41.5884 171.7038 50 P 4.0156 0.0000 0.0000 62.1609 32.0226 177.0470 51 D 4.4612 8.8001 120.6006 55.2758 39.6925 177.3836 52 N 4.5644 8.0571 115.9131 53.8044 38.0462 175.4017 53 F 4.6549 8.2854 117.7723 58.1902 39.6006 175.1618 54 V 5.1907 7.5153 112.4948 59.5715 36.2603 174.6768 55 K 4.6791 9.2120 122.7356 54.3770 35.3793 174.9783 56 E 3.0243 8.6333 128.6381 56.0099 30.1441 175.9212 57 I 4.0297 7.9950 128.6312 60.6249 38.0340 176.3810 58 K 4.1168 8.4661 125.4633 56.5123 32.5075 175.9431 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 2 V 7.91 4.17 2.25 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 1.00 0.00 0.00 0.98 0.00 0.00 3 D 8.69 5.47 0.00 2.74 2.69 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 4 Y 9.34 5.16 0.00 2.85 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 5 I 8.78 4.77 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.71 1.00 0.00 0.00 6 V 8.70 4.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 7 E 9.46 4.35 0.00 1.77 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 1.97 2.11 0.00 8 Y 7.82 4.88 0.00 2.69 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 D 9.18 4.88 0.00 2.71 2.71 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 10 Y 9.14 4.83 0.00 2.30 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 11 D 7.36 4.99 0.00 2.29 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 12 A 8.17 4.05 1.28 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 0.00 0.00 13 V 8.84 4.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.89 0.00 0.00 14 H 7.89 5.08 0.00 3.17 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.72 4.43 0.00 2.68 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 16 D 8.11 4.65 0.00 2.83 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 17 E 7.92 5.17 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.37 0.00 18 L 9.09 4.67 0.00 1.69 1.61 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.50 4.61 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 1.22 0.00 0.00 20 I 8.89 4.90 1.78 0.00 0.00 0.76 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 1.03 0.68 0.00 0.00 21 R 9.13 5.14 0.00 1.81 1.81 0.00 3.45 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 22 V 8.44 3.74 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 0.67 0.00 0.00 0.96 0.00 0.00 23 G 8.98 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 0.00 0.00 0.00 24 E 8.13 4.18 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 25 I 8.19 4.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.99 0.00 0.00 26 I 8.77 4.48 1.94 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 1.00 0.00 0.00 27 R 8.93 4.92 0.00 1.92 2.08 0.00 2.95 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 28 N 8.84 4.46 0.00 2.88 2.91 0.00 0.00 7.11 8.35 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 29 V 8.06 4.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 1.15 0.00 0.00 30 K 9.21 4.78 0.00 1.62 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 31 K 8.70 4.52 0.00 1.64 1.73 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 32 L 7.64 4.69 0.00 1.76 1.52 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.85 4.08 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 34 E 7.98 4.09 0.00 2.00 1.90 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 2.29 1.97 0.00 35 E 8.70 4.11 0.00 1.94 1.90 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 2.31 2.38 0.00 36 G 9.28 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.82 5.06 0.00 3.16 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 38 L 8.75 4.86 0.00 0.31 0.97 0.51 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.26 4.95 0.00 1.92 1.80 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 2.19 2.20 0.00 40 G 8.97 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 0.00 0.00 0.00 0.00 41 E 8.89 5.33 0.00 2.09 1.96 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 2.22 2.38 0.00 42 L 8.95 4.77 0.00 1.66 1.41 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.77 4.19 0.00 2.80 2.77 0.00 0.00 7.17 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 44 G 8.16 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 0.00 0.00 0.00 45 R 7.89 4.70 0.00 1.88 1.87 0.00 3.09 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 46 R 8.47 5.13 0.00 1.75 1.86 0.00 3.32 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 47 G 8.98 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 48 M 8.85 5.28 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 49 F 8.19 5.09 0.00 2.92 3.16 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 0.00 0.00 0.00 0.00 50 P 0.00 4.02 0.00 2.13 1.10 0.00 2.74 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.00 51 D 8.80 4.46 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.06 4.56 0.00 2.71 2.91 0.00 0.00 6.04 7.43 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 53 F 8.29 4.65 0.00 3.26 3.42 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 54 V 7.52 5.19 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.32 0.00 0.00 55 K 9.21 4.68 0.00 1.99 1.61 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.33 7.81 56 E 8.63 3.02 0.00 1.21 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.79 0.00 57 I 7.99 4.03 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.88 0.00 0.00 58 K 8.47 4.12 0.00 1.65 1.62 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.28 7.81