NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3295 8.2649 123.5834 52.1822 19.9613 177.6610 2 R 4.1455 8.3451 122.3425 54.8380 28.4769 174.3459 3 D 4.9500 7.8213 118.5106 53.4326 42.5459 177.1837 4 D 4.6217 7.6700 119.9333 52.0295 39.7926 172.3413 5 P 4.6904 0.0000 0.0000 62.1832 32.8759 175.9454 6 H 4.4569 8.6598 118.8695 55.6653 29.3399 174.7971 7 F 5.1306 8.3669 117.3062 54.5209 40.7394 175.3785 8 N 4.5270 8.6685 119.0614 52.2015 35.4743 174.6081 9 F 4.5599 7.8635 128.0314 57.5873 40.2930 174.4684 10 R 5.1250 6.8546 133.7239 56.6115 31.8012 173.2810 11 M 4.4179 7.8795 125.1871 51.9546 35.8744 173.9143 12 P 4.2078 0.0000 0.0000 62.9327 33.5171 176.5696 13 M 3.9219 8.7320 120.0697 58.9151 31.9901 178.4219 14 E 3.8188 8.0875 116.9570 59.5725 29.5699 179.2338 15 V 3.4994 7.6011 119.1303 65.4902 31.8288 177.7059 16 R 3.8442 7.7757 117.5282 58.8213 29.9101 178.2218 17 E 3.9758 8.5327 119.6037 58.9686 29.2578 179.1276 18 K 4.1436 8.5112 119.2801 59.5233 32.7306 179.0338 19 L 3.9389 8.4057 121.3449 57.5956 42.3242 178.2738 20 K 4.3030 8.2383 118.4077 57.4924 32.1322 177.5083 21 F 5.0446 8.5123 116.1091 57.2210 40.1321 177.6653 22 R 4.3102 8.2552 127.1913 54.7250 29.5071 178.0747 23 A 3.9659 8.9879 109.7152 52.8006 18.2340 176.6744 24 E 4.2387 7.7317 111.5567 57.3419 31.7510 175.1426 25 A 3.9408 8.0829 123.7018 53.7584 18.5147 178.0636 26 N 3.9676 8.1080 116.0159 54.9879 35.5587 173.7937 27 G 3.8389 8.0958 112.1587 45.3977 0.0000 171.2541 28 R 4.3331 8.5136 117.7526 54.1431 30.6043 174.7269 29 S 4.8692 8.3752 118.7267 56.9347 63.2893 174.2417 30 M 3.9645 8.8273 129.2347 58.6415 31.5586 178.1257 31 N 4.1416 8.2964 116.6758 57.4247 38.9089 175.7437 32 S 4.0306 7.9906 113.4387 62.2143 62.3065 175.9761 33 E 3.8633 7.9029 120.4400 59.3418 29.8055 178.4188 34 L 3.8703 7.7923 120.5201 58.3268 42.1021 179.0319 35 L 3.9241 7.6561 118.5649 58.0259 41.6365 179.4654 36 Q 4.0075 8.2680 119.5334 58.9686 28.9705 177.9356 37 I 3.6472 8.3114 120.2239 63.9934 38.0377 178.1037 38 V 3.5619 8.2355 119.4247 66.0907 31.2767 177.6426 39 Q 3.9839 8.3623 118.2790 59.5266 28.5073 179.0184 40 D 4.3800 8.1287 119.1819 57.2757 40.5536 178.8799 41 A 4.1318 7.7337 120.4204 54.5838 19.1298 178.9500 42 L 4.3768 7.6849 114.8694 56.4085 41.4352 176.8821 43 S 4.7455 7.9727 116.3471 58.4748 64.0929 173.8047 44 K 4.6555 7.7436 118.4250 54.1738 34.7448 174.6568 45 P 4.9439 0.0000 0.0000 61.7745 32.1322 175.0791 46 S 4.6857 8.2572 117.1687 56.1055 64.9943 171.1394 47 P 4.3821 0.0000 0.0000 63.2934 31.6644 176.0630 48 V 3.1413 7.8773 123.2041 62.8886 31.9048 176.4247 49 T 3.1942 8.5109 124.0019 62.0107 66.2355 170.0742 50 G 3.5459 8.2230 105.6427 44.6636 0.0000 171.8091 51 Y 4.9144 8.3469 120.0396 57.4524 43.4172 173.5114 52 R 4.6145 8.3728 120.5070 55.5643 32.4926 176.6051 53 N 4.3730 8.4006 114.8226 55.2380 35.8843 178.2821 54 D 4.1570 7.8246 114.3821 55.8251 38.0717 174.3945 55 A 3.8943 7.6614 129.8433 52.3610 18.7310 182.2365 56 E 3.3499 8.5698 112.3232 57.1945 31.7417 178.0074 57 R 4.0626 7.6093 117.7185 58.8133 30.9331 178.3821 58 L 4.4217 8.2206 115.8388 55.3697 41.7780 178.7078 59 A 4.0319 8.2061 122.6393 55.0097 18.2788 179.1488 60 D 4.5265 7.9756 117.2903 56.1364 40.9391 177.8905 61 E 3.9000 7.5772 119.7152 59.8731 29.8787 178.1291 62 Q 4.0546 8.1767 117.5746 59.9474 28.6558 180.6118 63 S 3.9072 8.2179 115.2607 61.0892 62.7869 176.3529 64 E 4.3259 7.8858 118.3706 57.2017 29.4346 177.7478 65 L 4.7198 7.7973 119.6639 55.3562 41.5833 176.5060 66 V 3.9788 7.5555 124.6386 63.9004 31.8942 174.7662 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 8.26 4.33 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 2 R 8.35 4.15 0.00 1.90 1.92 0.00 3.37 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 3 D 7.82 4.95 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 4 D 7.67 4.62 0.00 2.68 2.62 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 5 P 0.00 4.69 0.00 2.10 2.04 0.00 3.69 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 2.01 2.11 0.00 6 H 8.66 4.46 0.00 3.17 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.37 5.13 0.00 3.07 2.86 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 8 N 8.67 4.53 0.00 2.91 2.97 0.00 0.00 5.99 7.43 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 9 F 7.86 4.56 0.00 1.91 2.76 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 10 R 6.85 5.12 0.00 1.91 1.97 0.00 3.25 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 11 M 7.88 4.42 0.00 1.85 1.64 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 1.35 2.01 0.00 12 P 0.00 4.21 0.00 2.13 1.98 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 13 M 8.73 3.92 0.00 2.07 2.05 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 2.75 2.64 0.00 14 E 8.09 3.82 0.00 2.13 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 2.28 0.00 15 V 7.60 3.50 2.01 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 0.99 0.00 0.00 0.90 0.00 0.00 16 R 7.78 3.84 0.00 1.79 1.86 0.00 3.30 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 17 E 8.53 3.98 0.00 1.78 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 2.16 2.32 0.00 18 K 8.51 4.14 0.00 1.90 1.97 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 19 L 8.41 3.94 0.00 1.74 1.84 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.24 4.30 0.00 2.01 2.03 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 21 F 8.51 5.04 0.00 2.87 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 22 R 8.26 4.31 0.00 1.78 1.92 0.00 3.63 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 23 A 8.99 3.97 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 24 E 7.73 4.24 0.00 1.87 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 2.16 2.26 0.00 25 A 8.08 3.94 0.62 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 0.00 0.00 26 N 8.11 3.97 0.00 2.75 3.02 0.00 0.00 6.88 7.22 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 27 G 8.10 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 28 R 8.51 4.33 0.00 1.95 2.05 0.00 2.83 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 29 S 8.38 4.87 0.00 3.85 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 30 M 8.83 3.96 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.78 0.00 31 N 8.30 4.14 0.00 2.77 2.84 0.00 0.00 6.79 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.99 4.03 0.00 3.95 4.06 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 0.00 0.00 0.00 0.00 33 E 7.90 3.86 0.00 2.41 1.93 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 2.45 2.48 0.00 34 L 7.79 3.87 0.00 1.86 1.75 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.66 3.92 0.00 1.94 1.69 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.27 4.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 37 I 8.31 3.65 2.13 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 1.41 1.19 1.00 0.00 0.00 38 V 8.24 3.56 2.05 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 0.95 0.00 0.00 0.98 0.00 0.00 39 Q 8.36 3.98 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 40 D 8.13 4.38 0.00 3.01 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 41 A 7.73 4.13 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 42 L 7.68 4.38 0.00 1.81 1.79 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.97 4.75 0.00 3.89 3.83 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 44 K 7.74 4.66 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 45 P 0.00 4.94 0.00 1.95 2.15 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 46 S 8.26 4.69 0.00 3.91 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 47 P 0.00 4.38 0.00 1.93 2.08 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 48 V 7.88 3.14 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 0.71 0.00 0.00 1.01 0.00 0.00 49 T 8.51 3.19 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 1.24 0.00 0.00 50 G 8.22 3.55 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 0.00 51 Y 8.35 4.91 0.00 2.81 2.76 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 52 R 8.37 4.61 0.00 1.86 1.91 0.00 3.30 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 53 N 8.40 4.37 0.00 2.92 2.71 0.00 0.00 6.93 8.06 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 54 D 7.82 4.16 0.00 3.03 3.13 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 0.00 0.00 0.00 55 A 7.66 3.89 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 56 E 8.57 3.35 0.00 2.11 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 0.00 2.33 2.32 0.00 57 R 7.61 4.06 0.00 1.89 1.94 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 58 L 8.22 4.42 0.00 1.73 1.69 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.21 4.03 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 60 D 7.98 4.53 0.00 2.83 2.75 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 61 E 7.58 3.90 0.00 1.96 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 0.00 2.43 2.37 0.00 62 Q 8.18 4.05 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.21 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 63 S 8.22 3.91 0.00 4.04 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 64 E 7.89 4.33 0.00 2.06 2.01 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 2.35 2.32 0.00 65 L 7.80 4.72 0.00 1.78 1.73 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.56 3.98 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 0.81 0.00 0.00 0.95 0.00 0.00