NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2940 8.3645 123.5821 51.5017 19.9618 177.1005 1 N 4.1544 8.8345 116.3746 54.7972 37.4341 172.7674 2 Q 4.2467 8.3972 121.7700 56.0825 30.5930 175.2862 3 A 4.7789 8.6424 128.3639 51.1485 21.2656 175.7991 4 S 5.1397 8.8650 116.1875 56.2020 67.4241 173.5639 5 V 4.2801 8.4806 121.9437 62.9673 32.2928 174.9980 6 V 4.8440 8.6243 127.3458 60.6049 35.0750 174.3510 7 A 4.4845 8.9938 129.8676 52.3462 18.8208 177.4843 8 N 4.7709 9.3405 121.8742 54.4939 39.5761 174.1866 9 Q 4.6261 7.5770 114.0284 55.3061 31.8007 173.6974 10 L 4.1889 8.5041 122.3321 55.5010 42.8801 176.0547 11 I 4.3695 8.7089 127.8554 58.8617 38.9020 173.5506 12 P 4.6105 0.0000 0.0000 62.1591 32.6091 176.1352 13 I 3.8874 8.2921 121.9850 62.9419 38.2271 175.4710 14 N 4.4314 8.5688 122.3470 54.2421 36.7949 174.3027 15 T 4.2593 7.6724 115.8934 63.1100 69.8124 173.9013 16 A 4.5985 8.5111 128.0826 51.6137 19.1512 177.3442 17 L 4.2575 9.1993 124.3053 55.1040 43.1396 176.5625 18 T 4.9486 8.2489 111.7232 59.4844 72.1849 174.9632 19 L 3.9735 8.5466 120.8498 57.6753 41.8030 179.6012 20 A 4.1177 7.4199 120.2297 54.6002 18.5861 178.0145 21 M 4.2691 8.0937 114.7271 56.2140 32.5483 175.3160 22 M 5.2223 7.7826 118.8991 53.4362 34.5066 175.5110 23 R 4.6340 8.8877 120.4653 54.5226 33.1807 174.5426 24 S 5.2022 8.3570 113.7061 56.5707 64.3374 172.5995 25 E 4.6869 8.8638 126.5045 54.8808 33.5996 174.1194 26 V 4.3174 8.3768 126.2130 62.3491 31.7722 175.3422 27 V 4.6450 8.2699 120.3182 59.6875 35.6859 175.0838 28 T 4.6655 8.0515 110.2529 58.9179 71.4207 172.2130 29 P 4.4231 0.0000 0.0000 62.4268 32.0748 175.9216 30 V 3.8558 8.1952 119.3442 62.7823 32.7118 176.0280 31 G 4.3312 8.3711 115.7357 45.4505 0.0000 172.9847 32 I 3.9255 8.4748 123.8135 60.9147 38.3858 174.3921 33 P 4.6924 0.0000 0.0000 62.4442 32.0547 177.4187 34 A 3.9797 8.9413 125.9707 55.2377 18.0171 179.9405 35 E 4.0118 8.2432 114.8236 59.3132 29.7467 178.0663 36 D 4.6837 8.2551 118.3399 54.5153 41.1742 177.8999 37 I 3.6823 7.7713 122.5509 64.0955 37.1822 175.9210 38 P 4.2727 0.0000 0.0000 66.3941 30.5845 178.4892 39 R 4.1346 7.9382 116.1628 58.1954 30.2978 178.1791 40 L 4.3337 7.9413 118.1773 54.8989 42.0040 177.0078 41 V 3.9823 6.8279 118.2816 64.0672 31.8362 175.8759 42 S 3.9662 8.8839 120.2590 59.0292 62.2792 170.1183 43 M 4.5596 7.8599 120.5694 54.8672 33.9386 175.1925 44 Q 5.5758 8.3520 119.7110 54.2147 31.5130 175.3647 45 V 4.5515 8.2507 115.5006 60.6281 33.6208 176.0064 46 N 5.0844 8.9588 120.8677 52.6081 38.4174 174.1079 47 R 4.6602 7.5498 113.7965 55.0555 32.4052 174.3608 48 A 4.2488 8.5774 122.2503 52.1799 19.3521 177.4252 49 V 4.2032 8.7735 122.4970 60.1591 33.6567 173.0816 50 P 4.5882 0.0000 0.0000 62.2589 32.6261 175.8902 51 L 3.9747 8.4891 123.7798 57.2012 42.1588 177.6464 52 G 3.9659 8.9152 113.9567 45.4838 0.0000 173.3917 53 T 4.2591 7.6642 117.4386 63.2203 69.8828 174.2802 54 T 4.4717 8.3713 122.7830 63.3373 69.5116 174.2029 55 L 4.1542 8.8636 127.4344 54.9033 42.6970 176.5245 56 M 4.7284 8.4473 123.3661 52.7569 34.4589 175.1168 57 P 4.0558 0.0000 0.0000 65.9646 31.5065 178.2851 58 D 4.6043 8.0233 114.1749 55.1142 39.6698 176.5807 59 M 4.4819 8.1841 119.2280 55.2740 32.7126 175.5703 60 V 4.6091 7.2914 119.9912 60.3464 33.0380 174.9125 61 K 4.1318 8.8898 128.4460 57.8798 32.1050 177.6815 62 G 3.9618 9.0010 112.2615 45.3413 0.0000 172.6181 63 Y 4.1754 7.5972 121.1290 57.1141 39.3256 174.8292 64 A 4.1446 7.6106 128.7039 50.9668 22.1687 175.7462 65 A 4.0596 8.0274 125.1474 52.1207 19.3178 176.0851 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 0 A 8.36 4.29 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 1 N 8.83 4.15 0.00 2.83 2.78 0.00 0.00 6.61 6.57 0.00 0.00 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 Q 8.40 4.25 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 3 A 8.64 4.78 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 4 S 8.86 5.14 0.00 3.70 3.78 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 0.00 0.00 0.00 5 V 8.48 4.28 2.02 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 0.93 0.00 0.00 0.92 0.00 0.00 6 V 8.62 4.84 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 1.08 0.00 0.00 0.92 0.00 0.00 7 A 8.99 4.48 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.34 4.77 0.00 2.69 2.96 0.00 0.00 7.06 6.94 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 9 Q 7.58 4.63 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 L 8.50 4.19 0.00 1.65 1.62 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.71 4.37 1.86 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 1.22 0.83 0.90 0.00 0.00 12 P 0.00 4.61 0.00 2.06 1.98 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 13 I 8.29 3.89 1.87 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 1.41 0.82 0.91 0.00 0.00 14 N 8.57 4.43 0.00 2.94 2.93 0.00 0.00 7.06 7.93 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 15 T 7.67 4.26 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 1.21 0.00 0.00 16 A 8.51 4.60 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 17 L 9.20 4.26 0.00 1.72 1.59 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.25 4.95 4.24 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 1.21 0.00 0.00 19 L 8.55 3.97 0.00 1.73 1.76 0.92 0.82 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 20 A 7.42 4.12 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 21 M 8.09 4.27 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 22 M 7.78 5.22 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.89 4.63 0.00 1.85 2.03 0.00 2.72 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 24 S 8.36 5.20 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.86 4.69 0.00 2.05 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 2.20 2.25 0.00 26 V 8.38 4.32 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 0.93 0.00 0.00 0.98 0.00 0.00 27 V 8.27 4.65 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.05 4.67 4.24 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 1.21 0.00 0.00 29 P 0.00 4.42 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.20 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.37 4.33 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 0.00 0.00 0.00 32 I 8.47 3.93 1.71 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.44 0.77 0.00 0.00 33 P 0.00 4.69 0.00 2.10 1.99 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 34 A 8.94 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.24 4.01 0.00 2.14 2.13 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 2.31 2.44 0.00 36 D 8.26 4.68 0.00 2.94 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 37 I 7.77 3.68 1.88 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 1.57 1.02 0.91 0.00 0.00 38 P 0.00 4.27 0.00 2.27 2.34 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 39 R 7.94 4.13 0.00 2.07 2.11 0.00 3.18 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 40 L 7.94 4.33 0.00 1.83 1.70 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.83 3.98 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 0.78 0.00 0.00 0.94 0.00 0.00 42 S 8.88 3.97 0.00 4.19 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 43 M 7.86 4.56 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 44 Q 8.35 5.58 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 45 V 8.25 4.55 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 0.85 0.00 0.00 1.01 0.00 0.00 46 N 8.96 5.08 0.00 2.82 3.02 0.00 0.00 6.60 8.23 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 47 R 7.55 4.66 0.00 1.79 1.89 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 48 A 8.58 4.25 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 49 V 8.77 4.20 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 1.04 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.59 0.00 2.10 1.97 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 51 L 8.49 3.97 0.00 1.57 1.60 1.00 1.08 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 52 G 8.92 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 53 T 7.66 4.26 4.27 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 0.00 0.00 0.00 1.19 0.00 0.00 54 T 8.37 4.47 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 1.23 0.00 0.00 55 L 8.86 4.15 0.00 1.66 1.48 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.45 4.73 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 57 P 0.00 4.06 0.00 2.26 2.40 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 58 D 8.02 4.60 0.00 2.80 2.81 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 59 M 8.18 4.48 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 60 V 7.29 4.61 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 1.03 0.00 0.00 0.80 0.00 0.00 61 K 8.89 4.13 0.00 1.83 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.00 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 63 Y 7.60 4.18 0.00 2.86 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 64 A 7.61 4.14 1.07 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 65 A 8.03 4.06 1.14 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 0.00 0.00