NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3553 8.1233 123.5822 51.7345 20.1605 177.6717 5 L 3.7927 8.5556 123.6081 57.2236 41.5898 178.0440 6 L 4.0698 8.6669 119.6863 57.9801 42.0854 179.0010 7 R 4.1754 8.0200 117.2299 59.6809 30.0223 178.6603 8 Q 3.9926 8.3997 117.4384 59.1579 28.6965 179.2534 9 A 3.6441 8.5043 122.0914 55.4322 18.2254 179.0499 10 Y 3.8457 8.4829 117.5314 60.7280 38.8528 178.2271 11 S 4.1579 8.3775 113.6423 61.3011 62.8093 175.6480 12 A 4.1992 8.0020 121.6384 54.0379 18.7820 176.5058 13 L 4.4590 7.9510 114.9861 55.7286 45.0400 177.7311 14 F 4.8554 7.4657 120.7289 59.5257 38.9251 176.3797 15 R 3.7902 6.9229 120.7958 57.9575 30.6053 176.2607 16 R 3.9852 7.5777 121.2011 56.5182 30.1004 177.5629 17 T 3.9091 8.7749 121.7870 66.8160 68.1446 176.4356 18 S 4.1891 8.0637 116.0105 61.4352 63.0817 176.1364 19 T 4.1326 8.0784 112.2555 63.2732 69.1186 176.4202 20 F 4.2637 8.3205 123.4947 61.3632 39.5310 176.2016 21 A 4.1603 8.0767 120.0788 55.5635 18.1035 179.1882 22 L 3.9087 7.8079 118.3116 58.5054 41.8033 179.6823 23 T 3.9460 7.9285 115.6059 66.5654 68.6892 176.8456 24 V 3.1966 7.7352 119.5715 66.8312 31.2549 177.2445 25 V 3.7019 7.9068 118.1923 65.3514 30.9917 177.5177 26 L 4.1239 8.2237 120.5387 58.5999 42.1119 179.0065 27 G 3.6853 9.3931 107.4135 46.4209 0.0000 175.3960 28 A 4.0201 8.7464 122.9334 54.5586 18.5843 179.5485 29 V 3.5687 7.7595 116.4649 66.5059 31.4282 178.0175 30 L 3.9856 7.7288 117.7269 57.8429 41.5037 179.0547 31 F 4.1226 8.1539 120.4596 62.3614 39.2109 175.9337 32 E 3.8419 9.5684 118.2884 58.5396 28.5560 179.4408 33 R 3.6927 8.0672 117.3480 59.0384 31.1716 178.4588 34 A 3.9186 8.3491 121.0838 55.1382 18.5030 178.8298 35 F 3.9104 8.3301 119.5057 61.7710 39.1807 176.8017 36 D 4.1697 8.1606 118.0864 57.7220 40.7153 179.0519 37 Q 4.0326 7.6324 117.0329 59.5588 28.3971 179.0568 38 G 3.6345 7.9337 105.6344 47.9896 0.0000 174.8629 39 A 3.9365 7.6314 122.6803 54.6194 18.4318 179.2558 40 D 4.3165 8.1884 117.0795 57.6370 40.9610 179.1899 41 A 3.9844 8.4726 121.1386 55.4056 18.2391 179.7583 42 I 3.6894 8.6674 117.6408 64.1783 37.4510 178.1924 43 F 4.4037 8.4737 122.0726 61.1731 39.2702 177.3474 44 E 3.9083 8.8160 117.5142 59.2919 29.0413 178.7297 45 H 4.3551 8.2264 118.5762 58.9917 29.8976 177.0258 46 L 3.8835 7.6292 118.4207 56.1618 42.0512 176.8417 47 N 4.9785 7.3155 116.5109 52.1637 39.1553 174.4966 48 E 3.9666 8.0434 117.1449 57.6600 30.4240 177.8273 49 G 3.9886 8.8466 109.4600 46.2262 0.0000 174.1083 50 K 4.5051 7.7702 117.1401 55.7609 34.2138 176.4693 51 L 4.5112 7.4636 119.2137 53.0658 43.0465 177.3028 52 W 4.0742 8.8978 131.2011 60.7055 30.2366 178.2195 53 K 4.0401 8.1206 118.0105 58.9855 31.6546 177.5027 54 H 4.5952 8.4111 116.1163 57.9800 29.5111 177.1084 55 I 3.7922 7.7874 121.0944 64.0930 37.0854 179.0177 56 K 3.1885 7.4687 121.4313 59.0878 32.0185 177.4192 57 H 4.3865 7.7607 113.5644 57.3929 28.7475 176.4910 58 K 4.0259 8.2181 119.2556 57.8349 32.0065 176.9733 59 Y 4.7059 7.5722 113.2131 57.9867 41.2576 176.1729 60 E 4.2040 7.8585 120.6116 56.0231 26.8720 176.0186 61 A 3.8549 8.2486 120.1631 52.2498 16.5809 179.5127 62 S 4.3863 7.9945 113.2761 61.4257 63.6038 174.4092 63 E 4.3643 7.9175 118.5119 56.1496 30.7044 176.3240 64 E 4.1359 8.7826 120.4340 57.0812 29.7965 174.7306 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 4 A 8.12 4.36 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 5 L 8.56 3.79 0.00 1.78 1.72 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.67 4.07 0.00 1.71 1.77 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.02 4.18 0.00 2.01 2.01 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 8 Q 8.40 3.99 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 9 A 8.50 3.64 1.12 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 0.00 0.00 10 Y 8.48 3.85 0.00 3.00 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 11 S 8.38 4.16 0.00 4.05 3.96 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 12 A 8.00 4.20 1.23 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 0.00 0.00 0.00 13 L 7.95 4.46 0.00 1.09 1.30 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.47 4.86 0.00 2.97 3.14 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 0.00 0.00 0.00 0.00 15 R 6.92 3.79 0.00 1.39 1.73 0.00 3.21 0.00 0.00 3.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 16 R 7.58 3.99 0.00 1.91 1.89 0.00 3.21 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 17 T 8.77 3.91 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 1.12 0.00 0.00 18 S 8.06 4.19 0.00 4.06 4.13 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 19 T 8.08 4.13 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 20 F 8.32 4.26 0.00 3.15 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 21 A 8.08 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.91 0.00 1.73 1.89 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 3.95 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 1.17 0.00 0.00 24 V 7.74 3.20 2.18 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 0.90 0.00 0.00 0.83 0.00 0.00 25 V 7.91 3.70 2.24 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 0.95 0.00 0.00 1.02 0.00 0.00 26 L 8.22 4.12 0.00 1.77 1.66 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.39 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.75 4.02 1.43 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 0.00 0.00 29 V 7.76 3.57 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 1.05 0.00 0.00 1.00 0.00 0.00 30 L 7.73 3.99 0.00 1.95 1.76 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.15 4.12 0.00 3.14 3.26 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 32 E 9.57 3.84 0.00 2.12 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 2.57 2.40 0.00 33 R 8.07 3.69 0.00 2.05 2.02 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 34 A 8.35 3.92 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 35 F 8.33 3.91 0.00 1.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.17 0.00 2.66 2.67 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 37 Q 7.63 4.03 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 38 G 7.93 3.63 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 0.00 0.00 0.00 39 A 7.63 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.19 4.32 0.00 2.88 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 41 A 8.47 3.98 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 42 I 8.67 3.69 1.88 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 1.38 0.68 0.92 0.00 0.00 43 F 8.47 4.40 0.00 3.13 3.24 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 44 E 8.82 3.91 0.00 1.97 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 0.00 2.49 2.63 0.00 45 H 8.23 4.36 0.00 3.28 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.63 3.88 0.00 1.86 1.63 1.00 0.78 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 47 N 7.32 4.98 0.00 2.18 2.51 0.00 0.00 6.84 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 48 E 8.04 3.97 0.00 1.87 1.80 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 2.37 2.10 0.00 49 G 8.85 3.99 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 0.00 0.00 0.00 50 K 7.77 4.51 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.52 7.81 51 L 7.46 4.51 0.00 1.39 1.52 0.84 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 52 W 8.90 4.07 0.00 3.32 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 53 K 8.12 4.04 0.00 1.80 1.76 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.53 7.81 54 H 8.41 4.60 0.00 3.19 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.79 3.79 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 1.00 0.00 0.00 56 K 7.47 3.19 0.00 1.31 1.39 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 0.87 7.81 57 H 7.76 4.39 0.00 3.33 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.22 4.03 0.00 1.60 1.24 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.38 7.81 59 Y 7.57 4.71 0.00 2.76 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 60 E 7.86 4.20 0.00 2.10 1.90 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 0.00 2.34 2.34 0.00 61 A 8.25 3.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.39 0.00 3.83 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 0.00 63 E 7.92 4.36 0.00 1.94 1.85 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 2.21 2.24 0.00 64 E 8.78 4.14 0.00 2.09 1.90 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 0.00 2.24 2.29 0.00