NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6314 8.3649 120.5402 53.7880 42.4244 176.0795 2 F 4.6707 8.2324 114.5863 56.7802 41.4651 175.4829 3 C 5.6275 8.5034 114.0453 55.9827 44.5709 174.4686 4 L 4.6484 8.1488 116.6538 57.1230 45.3973 176.2158 5 E 4.0074 8.1471 117.7478 54.7625 29.8746 174.8591 6 P 4.0172 0.0000 0.0000 62.1308 30.9717 174.9395 7 P 3.6501 0.0000 0.0000 62.3638 31.8009 176.3785 8 Y 4.1876 8.7283 120.3588 58.0505 37.6240 176.1329 9 T 4.5379 8.3850 115.6978 62.5071 70.5561 174.9877 10 G 4.5829 7.2642 105.9845 45.5435 0.0000 171.5047 11 P 4.4931 0.0000 0.0000 64.9264 32.4416 177.9548 12 C 4.8297 8.0206 111.5790 58.5964 42.7135 175.0045 13 R 4.0716 7.8465 120.8736 55.7737 30.7697 174.8927 14 A 3.9208 7.9304 120.6829 53.1275 18.8613 176.8258 15 A 5.1199 7.0892 113.2561 51.1619 22.3275 176.1575 16 I 4.5995 8.6369 123.5041 59.6694 40.5736 175.0194 17 I 4.4824 7.9038 124.0168 59.5464 41.3072 175.5681 18 R 4.5533 7.8289 121.5860 57.1752 35.3720 172.3314 19 Y 6.0963 8.5121 119.0747 57.0715 40.4637 175.2135 20 F 5.3339 8.4270 116.8519 54.1805 42.1283 172.4029 21 Y 4.7955 8.9077 120.1717 55.5798 40.2123 175.7163 22 N 5.2451 8.0358 130.4575 51.5757 37.4841 175.3915 23 A 3.9688 8.3912 117.8809 53.1126 19.5563 179.5619 24 K 4.2551 9.2777 117.5836 59.5459 34.1898 177.5912 25 A 4.1539 7.8371 121.3873 53.6154 18.8608 178.6748 26 G 4.0864 7.4064 99.0654 45.3518 0.0000 173.3659 27 L 3.2125 6.9328 123.3030 55.2770 39.6138 177.5613 28 C 4.1563 7.9737 126.6551 56.8219 40.7483 171.0991 29 Q 4.1269 9.1247 130.8472 55.1759 32.0759 173.9072 30 T 6.0213 7.9631 107.1883 60.3092 71.7909 174.5230 31 F 5.2199 9.8909 127.9891 57.0404 37.3033 178.8400 32 V 2.1955 6.7849 117.4362 60.3353 34.5218 173.1978 33 Y 4.9575 6.3681 118.0324 56.1306 41.6195 173.3005 34 G 3.9761 7.5745 107.0755 44.1681 0.0000 172.0604 35 G 3.9336 5.7666 103.3728 45.9552 0.0000 174.1497 36 C 3.9625 8.5245 113.9356 56.0550 32.1337 174.0716 37 R 4.0390 8.4361 113.2293 58.1264 28.8428 176.6234 38 A 2.5800 8.6136 116.4071 52.6751 16.3414 177.1667 39 K 3.7230 8.9438 114.8600 58.2520 30.9434 176.2286 40 S 3.8155 8.1199 112.7078 59.4797 62.8791 172.1696 41 N 4.4985 7.4392 117.7953 54.1825 38.8678 173.0669 42 N 4.5052 8.1188 118.1989 53.2195 40.3170 172.9222 43 F 5.1795 8.2634 123.5982 55.6077 41.7078 176.3102 44 K 3.9883 8.4153 117.4975 56.6379 35.3153 174.9740 45 S 4.5226 7.7589 112.1486 57.6151 67.0536 174.5625 46 A 4.1545 8.7652 121.8626 55.7905 18.0805 179.7579 47 E 3.9141 8.1461 115.8205 59.6953 29.5347 178.9008 48 D 4.2506 8.0106 119.3386 57.2580 41.0945 178.7724 49 C 2.9058 8.2019 118.7288 59.8356 38.5874 175.9203 50 M 3.9756 8.1139 120.2139 58.3546 31.4585 178.8838 51 R 3.9234 7.6958 114.7674 59.3280 29.4158 178.7515 52 T 4.1678 7.0788 115.4437 65.5854 68.9271 175.0151 53 C 4.6649 7.4302 114.6685 55.9357 45.7724 174.9579 54 G 3.5744 7.8057 107.7366 48.3537 0.0000 175.1585 55 G 4.0865 8.2394 106.5348 43.7897 0.0000 172.4070 56 A 4.2437 7.7038 124.3881 52.1324 19.2213 177.3358 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 D 8.36 4.63 0.00 3.06 3.12 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 2 F 8.23 4.67 0.00 3.17 3.19 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 0.00 3 C 8.50 5.63 0.00 3.11 3.31 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 4 L 8.15 4.65 0.00 1.77 1.81 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.15 4.01 0.00 2.16 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 0.00 2.34 2.39 0.00 6 P 0.00 4.02 0.00 1.84 1.89 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 7 P 0.00 3.65 0.00 1.00 0.49 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 8 Y 8.73 4.19 0.00 3.14 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 9 T 8.39 4.54 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 1.34 0.00 0.00 10 G 7.26 4.58 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 0.00 0.00 0.00 11 P 0.00 4.49 0.00 2.18 2.41 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.55 0.00 12 C 8.02 4.83 0.00 2.87 3.09 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 0.00 0.00 0.00 0.00 13 R 7.85 4.07 0.00 1.56 1.72 0.00 3.08 0.00 0.00 3.20 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 14 A 7.93 3.92 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 15 A 7.09 5.12 1.15 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 0.00 0.00 16 I 8.64 4.60 1.94 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.49 0.92 0.00 0.00 17 I 7.90 4.48 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.95 0.00 0.00 18 R 7.83 4.55 0.00 1.83 2.03 0.00 3.31 0.00 0.00 3.30 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 19 Y 8.51 6.10 0.00 3.17 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 20 F 8.43 5.33 0.00 2.59 3.39 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 21 Y 8.91 4.80 0.00 3.75 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 22 N 8.04 5.25 0.00 2.20 2.57 0.00 0.00 6.61 8.14 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 23 A 8.39 3.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 4.26 0.00 1.68 1.91 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.40 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.35 7.81 25 A 7.84 4.15 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 26 G 7.41 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 6.93 3.21 0.00 1.60 0.13 0.83 0.87 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 28 C 7.97 4.16 0.00 2.75 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 29 Q 9.12 4.13 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 30 T 7.96 6.02 4.39 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 1.10 0.00 0.00 31 F 9.89 5.22 0.00 3.24 3.32 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 32 V 6.78 2.20 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 0.76 0.00 0.00 0.80 0.00 0.00 33 Y 6.37 4.96 0.00 2.99 2.68 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 0.00 0.00 0.00 0.00 34 G 7.57 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 35 G 5.77 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 0.00 0.00 0.00 36 C 8.52 3.96 0.00 3.25 3.37 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 0.00 0.00 0.00 37 R 8.44 4.04 0.00 1.98 2.15 0.00 3.11 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 38 A 8.61 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.94 3.72 0.00 1.85 1.87 0.00 1.27 0.00 0.00 0.61 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.12 7.81 40 S 8.12 3.82 0.00 4.25 4.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.44 4.50 0.00 1.79 2.51 0.00 0.00 6.51 6.88 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 42 N 8.12 4.51 0.00 2.51 2.75 0.00 0.00 6.87 6.92 0.00 0.00 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 F 8.26 5.18 0.00 3.33 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 44 K 8.42 3.99 0.00 1.54 1.77 0.00 1.47 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.27 7.81 45 S 7.76 4.52 0.00 3.98 3.75 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 46 A 8.77 4.15 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 0.00 0.00 0.00 0.00 0.00 47 E 8.15 3.91 0.00 2.20 2.22 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 2.36 2.40 0.00 48 D 8.01 4.25 0.00 3.05 2.89 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 0.00 0.00 0.00 49 C 8.20 2.91 0.00 3.43 3.34 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 50 M 8.11 3.98 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 51 R 7.70 3.92 0.00 1.90 2.02 0.00 3.02 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 52 T 7.08 4.17 3.87 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 1.59 0.00 0.00 53 C 7.43 4.66 0.00 2.80 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 0.00 0.00 0.00 54 G 7.81 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.24 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.70 4.24 1.16 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 0.00 0.00