NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4215 8.1185 122.4636 51.0568 19.7239 174.8077 2 A 4.0408 8.4105 122.0786 51.8963 18.7285 175.2814 3 C 4.6974 8.3965 114.4823 53.9470 45.5036 172.7899 4 K 3.8468 7.9093 124.4460 55.8321 32.2985 174.6497 5 C 4.7990 8.1183 119.5092 55.5730 44.2593 173.4889 6 D 4.3096 7.9251 122.5271 57.4575 41.2075 176.9708 7 D 4.7342 7.2411 112.7282 53.1107 40.7426 175.2077 8 E 4.2051 8.2976 120.8277 56.8877 30.6352 176.7970 9 G 3.9981 7.2032 106.4148 44.6663 0.0000 169.5137 10 P 4.0571 0.0000 0.0000 61.7150 30.9926 179.8249 11 D 4.0224 8.5852 120.9351 57.1180 41.2002 172.5290 12 I 4.4447 6.8718 127.2468 63.2312 40.0056 176.2707 13 R 4.2003 7.9606 114.0077 56.9730 30.6364 175.1286 14 T 4.5745 8.0428 112.0838 59.3027 70.2414 171.8413 15 A 4.8374 7.6437 129.6219 51.6534 20.5391 174.9453 16 P 4.5453 0.0000 0.0000 62.0179 31.8575 176.6263 17 L 3.6086 7.4126 117.7127 56.5939 39.3375 174.9099 18 T 4.4131 7.6299 102.0155 61.6258 69.8775 175.0353 19 G 4.8026 7.7133 108.2284 44.3399 0.0000 172.5273 20 T 4.9819 8.7757 119.0606 61.4505 72.6587 172.9747 21 V 4.1826 7.8011 126.0792 61.2286 32.7942 174.4438 22 D 4.5975 8.2607 127.6904 51.8480 42.4652 175.2568 23 L 3.9711 8.4695 126.9893 58.0278 41.4344 174.5842 24 G 3.8606 7.8778 119.0581 43.6424 0.0000 172.0181 25 S 4.4492 7.5346 111.3556 56.9524 65.8328 175.7100 26 C 4.2942 8.6068 122.0595 57.2601 38.9534 172.3482 27 N 5.0074 7.9678 117.0158 51.0568 42.4173 173.9307 28 A 4.2694 8.4417 122.2063 53.8856 18.7668 178.0480 29 G 3.9396 9.0011 106.2118 45.5325 0.0000 172.8043 30 W 5.0591 7.7070 117.0712 54.7502 33.7928 175.0525 31 E 4.5320 9.0941 119.5399 54.5836 32.5496 174.9610 32 K 4.0989 8.8421 125.7837 57.4820 31.8683 176.4251 33 C 4.8025 9.0570 127.0158 56.9175 40.5253 173.0441 34 A 4.8572 7.7489 121.5155 50.2715 21.4293 176.6026 35 S 4.2946 8.9096 118.3293 61.6617 63.6177 174.2250 36 Y 5.0736 7.0372 122.5715 57.9637 41.8012 170.9676 37 Y 4.4144 7.6951 125.9550 57.3600 42.8681 175.2227 38 T 4.1010 5.7900 114.8152 59.8125 70.4612 174.2985 39 I 3.9682 7.9190 122.1389 63.0297 37.2334 176.3944 40 I 4.5986 6.7685 120.2705 60.0615 38.6688 174.1153 41 A 4.3110 7.0099 118.5453 51.7044 22.0188 175.5234 42 D 5.0795 7.4848 119.0300 54.1828 42.8329 176.7139 43 C 4.8493 8.2800 112.4545 57.0866 43.5321 174.2719 44 C 4.8599 8.6907 122.5007 55.4043 40.3114 172.9762 45 R 4.7730 8.7397 119.8560 54.3476 31.8556 173.2804 46 K 2.5211 8.5784 129.1920 56.8517 30.9698 174.9419 47 K 3.4599 8.6154 115.0187 57.5630 29.5512 175.4213 48 K 4.1101 8.2354 120.2001 56.6807 32.2371 175.0013 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 A 8.12 4.42 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 2 A 8.41 4.04 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 3 C 8.40 4.70 0.00 2.62 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 4 K 7.91 3.85 0.00 1.96 1.79 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 5 C 8.12 4.80 0.00 3.00 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 6 D 7.93 4.31 0.00 2.88 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 7 D 7.24 4.73 0.00 2.82 2.63 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 8 E 8.30 4.21 0.00 1.98 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 0.00 2.28 2.24 0.00 9 G 7.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 2.20 1.95 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 D 8.59 4.02 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.87 4.44 1.88 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 1.36 0.53 0.92 0.00 0.00 13 R 7.96 4.20 0.00 1.96 2.04 0.00 3.03 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 14 T 8.04 4.57 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 15 A 7.64 4.84 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 16 P 0.00 4.55 0.00 2.18 2.14 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 17 L 7.41 3.61 0.00 1.87 1.69 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.63 4.41 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 1.21 0.00 0.00 19 G 7.71 4.80 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 0.00 0.00 0.00 20 T 8.78 4.98 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 21 V 7.80 4.18 2.19 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 0.92 0.00 0.00 0.55 0.00 0.00 22 D 8.26 4.60 0.00 2.22 2.26 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 23 L 8.47 3.97 0.00 1.64 1.62 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.88 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 25 S 7.53 4.45 0.00 3.75 3.64 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 26 C 8.61 4.29 0.00 2.99 3.01 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 0.00 0.00 0.00 0.00 27 N 7.97 5.01 0.00 2.63 2.69 0.00 0.00 6.69 7.52 0.00 0.00 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 8.44 4.27 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 29 G 9.00 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 7.71 5.06 0.00 3.48 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 31 E 9.09 4.53 0.00 2.00 1.86 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 2.24 2.38 0.00 32 K 8.84 4.10 0.00 1.81 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.53 7.81 33 C 9.06 4.80 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 4.86 1.35 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 0.00 0.00 0.00 35 S 8.91 4.29 0.00 4.04 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 36 Y 7.04 5.07 0.00 2.80 2.84 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 37 Y 7.70 4.41 0.00 2.66 2.55 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 38 T 5.79 4.10 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 1.02 0.00 0.00 39 I 7.92 3.97 1.84 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 1.31 0.58 0.94 0.00 0.00 40 I 6.77 4.60 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.87 0.86 0.00 0.00 41 A 7.01 4.31 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 42 D 7.48 5.08 0.00 2.66 2.39 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 43 C 8.28 4.85 0.00 2.85 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 44 C 8.69 4.86 0.00 2.75 3.29 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 45 R 8.74 4.77 0.00 1.98 1.80 0.00 3.17 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 46 K 8.58 2.52 0.00 0.79 0.93 0.00 1.51 0.00 0.00 1.31 0.00 0.00 2.64 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.50 0.21 7.81 47 K 8.62 3.46 0.00 1.70 1.64 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.39 7.81 48 K 8.24 4.11 0.00 1.77 1.68 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81