NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4747 8.0393 114.0054 61.6800 33.3753 173.8938 2 K 4.3781 8.8312 120.3733 55.7089 35.4757 173.2634 3 D 5.0403 9.3463 119.0381 51.7658 44.3488 177.6036 4 G 3.4148 6.4038 109.5360 45.2037 0.0000 170.6673 5 Y 4.7665 7.7562 117.2570 56.3522 38.7288 175.9516 6 I 4.1481 8.1822 118.4630 61.0969 39.1711 175.2622 7 V 5.0544 7.9171 115.1231 60.0110 36.1582 175.3064 8 D 4.7478 8.7716 121.9270 52.5659 41.1906 176.4897 9 D 4.5448 8.6030 117.2606 55.6158 39.5387 176.9719 10 V 4.2587 7.9101 113.1115 61.1274 32.0639 174.9783 11 N 4.2644 7.9203 115.8153 54.8063 37.6296 172.9647 12 C 4.7332 8.1519 113.1480 54.8584 41.9313 173.9144 13 T 4.9166 7.9895 113.1279 60.8812 69.7243 173.5504 14 Y 4.4943 8.5681 119.8628 56.7107 38.8411 175.1964 15 F 4.8587 9.1568 127.4826 58.2751 40.2413 172.8409 16 C 4.3640 6.6121 117.5424 54.5490 43.8995 173.6076 17 G 3.7324 8.4509 106.1755 44.8720 0.0000 173.9030 18 R 4.9012 7.6499 117.6701 53.8582 34.3820 176.3427 19 N 4.6072 8.9082 119.6633 56.5653 38.7398 177.5838 20 A 4.0617 8.1661 121.7141 55.2191 18.3711 178.8604 21 Y 4.0622 8.0758 117.5424 61.2531 38.9373 178.9675 22 C 3.9658 8.0099 116.6716 59.7750 41.1158 175.5191 23 N 4.3007 8.4739 119.1284 56.6939 38.4307 176.8195 24 E 3.9030 8.1239 119.8276 59.5737 29.4109 179.2199 25 E 3.7760 7.9446 118.6742 59.4574 29.3228 178.8999 26 C 4.2271 8.3630 117.3576 60.0581 40.8216 176.1651 27 T 3.9955 7.9074 112.6070 63.8216 68.2567 176.9484 28 K 3.9267 7.9858 121.0059 59.0388 32.0992 178.1551 29 L 4.3234 7.1976 115.0050 54.2456 41.6533 177.3738 30 K 3.9082 7.9899 117.6106 56.7924 29.6962 176.3459 31 G 3.9773 7.8760 107.7398 45.1468 0.0000 175.2063 32 E 4.2409 9.0269 121.4289 58.7413 30.2022 176.3028 33 S 4.5686 7.5464 111.5085 58.4405 66.2021 173.8829 34 G 4.4149 8.5964 106.2928 46.7922 0.0000 171.3977 35 Y 4.9952 8.2637 117.3720 56.0455 42.1199 173.1406 36 C 4.6474 9.4388 120.9560 55.5198 44.8394 173.1789 37 Q 4.5891 8.7930 130.2037 55.0823 29.0892 175.1109 38 W 4.5328 9.2124 126.6537 56.7366 30.1934 176.0397 39 A 3.7548 8.6771 124.3677 53.1852 16.3478 177.4131 40 S 4.4869 7.6627 114.6337 57.9151 64.3717 173.3302 41 P 4.0550 0.0000 0.0000 64.7434 30.8681 177.0623 42 Y 4.5654 7.2269 114.8189 57.3402 38.5291 177.1744 43 G 3.8364 7.9223 109.8205 44.3264 0.0000 172.2006 44 N 4.7788 8.4739 115.8310 53.4722 39.4953 174.3171 45 A 5.5697 8.6258 123.7831 50.7859 23.2634 174.7793 46 C 4.7530 8.9801 118.4779 57.0461 42.9607 171.9538 47 Y 4.4219 8.4248 123.8894 55.7522 41.1448 173.6505 48 C 5.2568 8.0963 123.3066 55.2625 45.4941 172.3196 49 Y 5.0127 8.8586 119.2405 56.5903 40.3443 176.1752 50 K 3.9750 9.3001 121.6684 57.4998 30.4570 175.6442 51 L 4.2585 7.9974 118.0212 53.5986 42.8687 175.8481 52 P 4.5615 0.0000 0.0000 62.4878 31.8271 177.6598 53 D 4.4090 8.5314 120.7817 57.4076 40.8579 177.6005 54 H 4.4413 7.8179 112.8009 56.8048 29.1833 175.7001 55 V 3.7941 7.1993 121.0135 62.4276 32.2562 175.1472 56 R 4.3362 8.4761 127.4780 56.3199 31.2096 175.1185 57 T 4.8577 8.2123 115.1967 58.9882 72.1876 173.4112 58 K 3.9922 8.7298 123.9798 57.0776 32.5929 176.0255 59 G 4.2976 8.7274 115.8193 42.5503 0.0000 170.4312 60 P 4.3186 0.0000 0.0000 63.3901 31.7969 176.1620 61 G 4.0268 8.7361 108.4484 45.3337 0.0000 173.4838 62 R 4.2777 8.3806 124.3902 55.6464 31.0994 176.1738 63 C 4.8149 8.4340 123.8231 55.5257 46.5430 173.0161 64 H 4.5050 8.6912 125.6133 56.4192 29.8137 172.5380 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 8.04 4.47 2.12 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 0.88 0.00 0.00 0.94 0.00 0.00 2 K 8.83 4.38 0.00 1.84 1.83 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.38 7.81 3 D 9.35 5.04 0.00 2.67 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 4 G 6.40 3.41 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 5 Y 7.76 4.77 0.00 2.89 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 6 I 8.18 4.15 1.61 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.59 0.67 0.00 0.00 7 V 7.92 5.05 2.12 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 0.70 0.00 0.00 0.95 0.00 0.00 8 D 8.77 4.75 0.00 2.82 2.70 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 0.00 0.00 0.00 9 D 8.60 4.54 0.00 2.80 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 10 V 7.91 4.26 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 0.67 0.00 0.00 0.94 0.00 0.00 11 N 7.92 4.26 0.00 2.76 2.89 0.00 0.00 6.99 8.74 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 12 C 8.15 4.73 0.00 3.26 2.91 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 13 T 7.99 4.92 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 0.92 0.00 0.00 14 Y 8.57 4.49 0.00 2.92 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 15 F 9.16 4.86 0.00 3.04 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 16 C 6.61 4.36 0.00 2.97 3.10 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 17 G 8.45 3.73 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 0.00 0.00 0.00 18 R 7.65 4.90 0.00 1.96 1.92 0.00 3.22 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 19 N 8.91 4.61 0.00 2.86 3.03 0.00 0.00 6.95 7.90 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 20 A 8.17 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.06 0.00 3.12 3.25 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 0.00 22 C 8.01 3.97 0.00 3.13 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 23 N 8.47 4.30 0.00 2.88 2.94 0.00 0.00 7.20 7.33 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 24 E 8.12 3.90 0.00 2.15 1.89 0.00 0.00 0.00 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 25 E 7.94 3.78 0.00 1.48 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.98 0.00 26 C 8.36 4.23 0.00 2.99 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 27 T 7.91 4.00 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 1.36 0.00 0.00 28 K 7.99 3.93 0.00 1.87 1.90 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.65 7.81 29 L 7.20 4.32 0.00 1.69 1.63 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.99 3.91 0.00 1.90 1.97 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 31 G 7.88 3.98 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 0.00 0.00 0.00 32 E 9.03 4.24 0.00 2.02 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 2.34 2.26 0.00 33 S 7.55 4.57 0.00 3.98 3.98 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 34 G 8.60 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 35 Y 8.26 5.00 0.00 3.28 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 36 C 9.44 4.65 0.00 3.26 3.41 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 37 Q 8.79 4.59 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 38 W 9.21 4.53 0.00 3.26 3.28 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 39 A 8.68 3.75 1.45 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 0.00 0.00 0.00 40 S 7.66 4.49 0.00 3.91 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 41 P 0.00 4.05 0.00 0.90 1.78 0.00 2.91 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 42 Y 7.23 4.57 0.00 2.88 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 43 G 7.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.47 4.78 0.00 2.00 2.06 0.00 0.00 6.52 7.54 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 45 A 8.63 5.57 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.75 0.00 2.75 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 47 Y 8.42 4.42 0.00 2.31 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 0.00 0.00 0.00 48 C 8.10 5.26 0.00 2.52 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 49 Y 8.86 5.01 0.00 2.91 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 50 K 9.30 3.97 0.00 1.96 1.87 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 L 8.00 4.26 0.00 1.66 1.47 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.56 0.00 1.72 1.83 0.00 3.49 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 53 D 8.53 4.41 0.00 2.65 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 54 H 7.82 4.44 0.00 3.23 3.43 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.20 3.79 2.10 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 0.67 0.00 0.00 0.83 0.00 0.00 56 R 8.48 4.34 0.00 1.94 1.78 0.00 3.31 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 57 T 8.21 4.86 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 1.08 0.00 0.00 58 K 8.73 3.99 0.00 1.60 1.74 0.00 1.57 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.53 1.20 7.81 59 G 8.73 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 0.00 0.00 0.00 0.00 60 P 0.00 4.32 0.00 2.20 2.09 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 61 G 8.74 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 62 R 8.38 4.28 0.00 1.81 1.84 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 63 C 8.43 4.81 0.00 2.88 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 64 H 8.69 4.50 0.00 3.05 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00