NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4667 8.2931 120.3244 55.5994 33.5188 176.0808 21 G 4.0249 8.1769 109.3236 44.6112 0.0000 170.0886 22 N 4.8981 8.7293 121.0934 51.9802 43.0902 172.6799 23 Q 4.6268 8.1056 117.5814 55.0504 31.4427 174.8335 24 Q 4.6867 8.3467 118.5458 54.5726 32.9537 174.3137 25 C 5.1073 8.7300 117.8036 54.8006 42.1641 171.7047 26 N 4.7165 9.4085 121.0127 53.8023 38.5402 172.3157 27 W 4.7925 9.7069 135.0000 56.4518 30.9542 174.7086 28 Y 4.4357 8.0193 123.3199 57.5855 35.4953 171.6511 29 G 3.6696 7.5428 113.7922 46.3636 0.0000 175.5509 30 T 4.3416 8.2384 118.3229 62.4031 69.7911 172.6514 31 L 5.2579 7.8677 122.7982 54.0136 45.0549 175.5189 32 Y 4.8058 8.3674 121.5360 55.4530 42.8506 172.7092 33 P 4.6180 0.0000 0.0000 62.5071 32.9341 175.0934 34 L 4.3371 7.8610 124.6775 55.1447 43.2297 175.9248 35 C 4.4519 8.5932 127.2802 55.2186 44.3311 174.0872 36 V 3.5142 8.1651 126.7668 65.5365 31.7224 178.4772 37 T 3.9284 7.8980 109.0552 64.4181 68.8755 174.7970 38 T 4.5197 7.5949 117.5879 63.4457 68.8479 176.3220 39 T 3.8468 7.6438 118.1669 64.4516 67.4770 173.3594 40 N 4.6391 7.4667 119.9861 54.4288 39.3112 172.7709 41 G 3.8776 7.9108 104.1719 43.6283 0.0000 173.0899 42 W 4.1034 8.8701 119.8680 56.7220 30.2579 176.2954 43 G 4.3565 8.7872 109.5968 44.8116 0.0000 170.4270 44 W 5.6534 8.5034 128.3996 55.7957 33.8785 174.6832 45 E 4.6548 8.5372 122.5096 56.8564 31.8947 174.8192 46 D 4.2660 9.0949 115.9373 55.6118 37.8873 174.2752 47 Q 3.8120 8.6096 115.6267 56.8871 28.0091 172.6338 48 R 4.0328 7.0991 114.7500 54.6011 33.9001 173.0400 49 S 4.2330 7.4194 112.9246 57.4202 64.5842 172.5612 50 C 5.5537 8.5496 117.7522 52.9853 45.6177 172.5049 51 I 3.6902 7.4263 120.7342 58.6759 39.1790 175.1113 52 A 4.4151 7.3665 128.5103 51.3986 19.5201 177.2158 53 R 3.7928 8.5299 117.2242 59.5428 29.7007 179.4370 54 S 4.1270 7.9525 112.4896 62.3038 62.9039 176.5693 55 T 4.0562 7.9947 116.3592 67.7076 68.1168 175.5468 56 C 4.1183 8.2014 120.4530 57.3340 43.8282 174.4096 57 A 4.3617 8.5579 120.8625 54.0076 19.4925 179.0621 58 A 3.8535 7.7374 119.5392 55.3061 18.5977 178.0574 59 Q 4.2066 8.1075 113.6127 55.4576 29.4464 174.5319 60 P 4.5338 0.0000 0.0000 62.0450 32.5246 175.4229 61 A 4.4772 8.1097 120.6143 50.3497 19.0098 175.4698 62 P 4.3358 0.0000 0.0000 62.9481 31.3104 176.7107 63 F 5.5236 5.4932 118.0258 57.1262 39.6209 175.7834 64 G 4.5627 8.4235 107.9413 45.0201 0.0000 171.9804 65 I 4.7879 7.9077 121.3063 60.9668 37.0461 175.9644 66 V 4.2051 8.1912 124.3471 60.7665 33.9220 173.1441 67 G 3.8845 8.1403 107.5403 44.1501 0.0000 173.3590 68 S 4.3946 8.4918 112.1870 60.3447 64.0650 174.0026 69 G 4.0281 8.3035 111.7337 45.8279 0.0000 173.3138 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 20 M 8.29 4.47 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 21 G 8.18 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 22 N 8.73 4.90 0.00 2.65 2.70 0.00 0.00 7.14 7.65 0.00 0.00 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 Q 8.11 4.63 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 24 Q 8.35 4.69 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 25 C 8.73 5.11 0.00 2.90 2.88 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 0.00 0.00 0.00 0.00 26 N 9.41 4.72 0.00 2.82 2.98 0.00 0.00 6.84 8.48 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 27 W 9.71 4.79 0.00 3.93 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 28 Y 8.02 4.44 0.00 2.95 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 29 G 7.54 3.67 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 0.00 30 T 8.24 4.34 4.55 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 1.13 0.00 0.00 31 L 7.87 5.26 0.00 1.50 1.35 0.96 0.78 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 32 Y 8.37 4.81 0.00 2.67 2.43 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 0.00 0.00 0.00 0.00 33 P 0.00 4.62 0.00 2.16 2.08 0.00 3.94 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 34 L 7.86 4.34 0.00 1.62 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.59 4.45 0.00 2.75 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 36 V 8.17 3.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.88 0.00 0.00 37 T 7.90 3.93 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 1.20 0.00 0.00 38 T 7.59 4.52 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 1.29 0.00 0.00 39 T 7.64 3.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 N 7.47 4.64 0.00 2.70 2.79 0.00 0.00 7.29 7.86 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 41 G 7.91 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.87 4.10 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.50 5.65 0.00 3.49 2.94 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 45 E 8.54 4.65 0.00 2.15 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 2.01 2.05 0.00 46 D 9.09 4.27 0.00 2.71 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 47 Q 8.61 3.81 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 48 R 7.10 4.03 0.00 1.66 1.42 0.00 3.10 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 49 S 7.42 4.23 0.00 3.98 4.19 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 50 C 8.55 5.55 0.00 2.85 2.98 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 51 I 7.43 3.69 0.91 0.00 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.06 0.00 0.00 52 A 7.37 4.42 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 53 R 8.53 3.79 0.00 1.78 1.81 0.00 3.11 0.00 0.00 3.07 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 54 S 7.95 4.13 0.00 3.90 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 55 T 7.99 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 56 C 8.20 4.12 0.00 3.13 3.03 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 57 A 8.56 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.74 3.85 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 59 Q 8.11 4.21 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 5.11 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 60 P 0.00 4.53 0.00 2.27 2.28 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.16 0.00 61 A 8.11 4.48 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 62 P 0.00 4.34 0.00 2.09 2.00 0.00 2.70 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 63 F 5.49 5.52 0.00 3.08 2.52 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 0.00 0.00 0.00 0.00 64 G 8.42 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.91 4.79 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 1.27 0.85 0.90 0.00 0.00 66 V 8.19 4.21 2.30 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 0.97 0.00 0.00 1.02 0.00 0.00 67 G 8.14 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.49 4.39 0.00 3.80 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 69 G 8.30 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