NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3335 8.1744 110.9437 61.2950 70.7523 173.5566 6 N 4.7244 7.9646 120.3164 53.1663 39.2534 173.3859 7 S 4.4437 8.1237 111.8812 57.5716 64.8423 173.1889 8 D 4.8044 8.5728 122.0501 54.5244 42.3966 174.5466 9 F 5.4320 7.9440 116.4419 55.1934 41.6145 173.9505 10 V 4.5736 8.8334 111.7757 59.4834 35.5362 174.9413 11 V 4.8442 8.5403 123.1970 61.2840 34.1424 174.4273 12 I 4.9315 8.9489 128.3590 59.4500 40.7963 174.0161 13 K 5.0367 8.9600 128.8276 54.3765 34.3683 175.0006 14 A 4.4289 8.8287 130.1922 52.0465 19.2151 177.4198 15 L 4.7925 8.8099 122.4397 54.5583 42.4829 175.8205 16 E 4.7455 7.6500 115.7290 55.0982 32.3774 174.5679 17 D 4.3797 8.5719 120.3106 55.1861 41.5938 176.9193 18 G 3.8361 8.4831 109.4248 45.7773 0.0000 173.8441 19 V 3.9036 7.6225 119.3366 62.8897 33.0725 174.4170 20 N 5.2892 9.0892 124.4073 51.5032 41.6445 173.5257 21 V 4.5108 8.8388 125.2651 61.4966 33.2801 174.3635 22 I 4.5501 8.7851 130.1575 59.3123 39.6662 175.0920 23 G 4.0332 8.7590 115.5584 45.2544 0.0000 172.4802 24 L 5.3742 8.8599 126.7494 53.2718 43.8145 176.4656 25 T 4.3526 8.8327 114.5257 61.9150 69.1304 174.2271 26 R 4.3961 7.9391 126.0258 57.0882 30.9499 174.8894 27 G 3.7665 8.7545 108.6800 44.1736 0.0000 173.1216 28 A 4.0597 8.6632 121.0780 54.5176 18.6722 177.7987 29 D 4.7701 7.8302 114.0975 53.5331 42.4383 176.1309 30 T 4.7182 8.2702 122.0529 61.4443 69.6765 172.6783 31 R 4.7776 9.1311 123.0192 53.7751 33.9022 174.2812 32 F 5.2602 8.7115 117.9826 57.7614 39.0117 175.6051 33 H 4.9264 8.9258 118.6507 56.9542 30.4949 174.5893 34 H 4.8121 7.6525 116.9478 54.7061 33.4376 172.1495 35 S 4.7770 8.2096 119.4693 56.4029 64.4759 172.4914 36 E 4.4053 9.1696 129.8470 55.0244 30.7816 175.0208 37 K 4.8287 8.6094 126.9787 55.8276 33.4718 176.2128 38 L 5.0022 8.9493 124.9082 53.0757 45.0229 175.9586 39 D 4.9918 8.9359 122.7608 52.6109 43.0868 175.9997 40 K 4.1114 8.7079 121.9236 58.6240 32.4116 176.6060 41 G 4.0739 9.4156 115.3019 45.2996 0.0000 173.7264 42 E 4.2559 8.1223 119.1813 56.2230 30.7995 176.0973 43 V 4.9168 8.3035 122.1970 61.0100 34.1727 174.2219 44 L 4.7292 9.2179 129.6738 53.2637 44.6896 174.7808 45 I 4.9690 8.4502 126.5110 59.5897 39.1324 174.7655 46 A 4.7116 9.0787 129.1829 50.1586 22.1039 175.2643 47 Q 4.8606 8.6071 120.5478 54.7341 30.6894 175.6367 48 F 4.7326 8.5663 120.6017 57.9726 39.7097 175.1932 49 T 4.7292 8.7714 112.0385 59.8298 72.1133 173.1267 50 E 4.0104 9.0130 121.4192 59.7677 29.5223 177.5954 51 H 4.4439 8.1250 114.0597 56.8543 29.6204 174.5646 52 T 5.1760 7.8943 116.4180 62.0631 70.1719 173.9795 53 S 4.9849 8.6470 120.5527 57.9931 64.6510 173.4243 54 A 5.2055 7.8937 121.2562 51.2023 22.6333 175.2317 55 I 4.9498 8.5109 120.3040 59.3933 40.7042 174.6827 56 K 4.5536 9.0134 128.6383 54.5459 34.6160 174.7266 57 V 4.7609 8.3863 126.8648 61.3480 33.2094 174.5960 58 R 4.5536 8.8762 127.2970 55.6864 32.6737 176.5950 59 G 4.1922 8.3910 108.3981 44.3020 0.0000 172.8559 60 K 4.6047 9.7544 118.8855 55.9534 33.0091 176.6447 61 A 5.1081 8.7497 125.6301 50.6658 23.3885 173.7739 62 Y 4.9894 9.0571 122.1294 56.1839 41.0004 174.5083 63 I 4.8418 8.4257 127.1489 59.4685 40.9734 174.2516 64 Q 5.0261 8.9156 126.2020 54.2910 31.7254 174.9462 65 T 4.9571 8.6139 113.6572 59.3890 72.3909 174.9509 66 R 3.8245 8.4869 116.8223 58.9690 29.3483 176.9993 67 H 4.6944 8.9485 114.1034 55.4252 29.6428 175.4933 68 G 3.6965 6.3869 107.2172 44.5472 0.0000 172.8504 69 V 4.8539 7.6751 114.0181 59.9759 35.6338 174.9534 70 I 4.4318 8.0589 120.5007 60.2472 41.9284 172.7524 71 E 5.2929 8.6647 126.4241 54.4745 31.8490 176.1138 72 S 4.4875 8.8357 119.4794 58.2426 64.7667 174.5141 73 E 4.7831 8.5397 118.0389 56.2145 31.9648 175.7564 74 G 3.7327 8.0137 107.8030 46.5905 0.0000 174.4010 75 K 4.2679 8.6822 121.1500 56.3635 32.7818 176.0357 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 5 T 8.17 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 N 7.96 4.72 0.00 2.81 2.86 0.00 0.00 7.06 6.75 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 7 S 8.12 4.44 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 8 D 8.57 4.80 0.00 2.78 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 9 F 7.94 5.43 0.00 3.00 2.95 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 0.00 0.00 0.00 10 V 8.83 4.57 1.99 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 0.53 0.00 0.00 0.84 0.00 0.00 11 V 8.54 4.84 2.11 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 8.95 4.93 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.90 0.00 0.00 13 K 8.96 5.04 0.00 1.94 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.83 4.43 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 15 L 8.81 4.79 0.00 1.65 1.72 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.75 0.00 1.93 1.89 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 2.19 2.34 0.00 17 D 8.57 4.38 0.00 2.59 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 18 G 8.48 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 19 V 7.62 3.90 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 1.07 0.00 0.00 1.01 0.00 0.00 20 N 9.09 5.29 0.00 2.63 2.58 0.00 0.00 6.41 7.66 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 21 V 8.84 4.51 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 0.74 0.00 0.00 0.89 0.00 0.00 22 I 8.79 4.55 1.40 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.41 -0.49 0.00 0.00 23 G 8.76 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 24 L 8.86 5.37 0.00 1.90 1.70 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.83 4.35 4.32 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 1.39 0.00 0.00 26 R 7.94 4.40 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.75 3.77 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 0.00 0.00 0.00 28 A 8.66 4.06 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 D 7.83 4.77 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.72 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 1.28 0.00 0.00 31 R 9.13 4.78 0.00 1.80 2.01 0.00 2.79 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 32 F 8.71 5.26 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.93 4.93 0.00 3.16 3.49 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.65 4.81 0.00 3.29 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.78 0.00 3.69 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 4.41 0.00 2.15 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 2.26 2.32 0.00 37 K 8.61 4.83 0.00 1.64 1.71 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.51 7.81 38 L 8.95 5.00 0.00 1.52 1.52 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.94 4.99 0.00 2.61 2.69 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 40 K 8.71 4.11 0.00 1.68 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.32 7.81 41 G 9.42 4.07 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 0.00 42 E 8.12 4.26 0.00 1.96 1.87 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 2.33 2.45 0.00 43 V 8.30 4.92 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.22 4.73 0.00 1.71 1.45 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.97 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.66 0.00 0.00 46 A 9.08 4.71 1.11 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 0.00 0.00 47 Q 8.61 4.86 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.57 4.73 0.00 3.01 2.92 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 0.00 0.00 0.00 0.00 49 T 8.77 4.73 4.29 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 1.31 0.00 0.00 50 E 9.01 4.01 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 51 H 8.12 4.44 0.00 3.23 3.14 0.00 5.80 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 52 T 7.89 5.18 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 8.65 4.98 0.00 3.76 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 54 A 7.89 5.21 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 55 I 8.51 4.95 1.82 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.83 0.00 0.00 56 K 9.01 4.55 0.00 1.81 1.55 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.38 7.81 57 V 8.39 4.76 2.06 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 8.88 4.55 0.00 1.79 1.80 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 59 G 8.39 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 0.00 0.00 0.00 60 K 9.75 4.60 0.00 1.79 1.78 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.51 7.81 61 A 8.75 5.11 1.20 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 0.00 0.00 62 Y 9.06 4.99 0.00 3.04 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 63 I 8.43 4.84 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 1.16 0.82 0.81 0.00 0.00 64 Q 8.92 5.03 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 65 T 8.61 4.96 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 1.14 0.00 0.00 66 R 8.49 3.82 0.00 1.76 1.98 0.00 2.96 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.00 67 H 8.95 4.69 0.00 3.17 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.39 3.70 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 0.00 0.00 0.00 69 V 7.68 4.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.01 0.00 0.00 70 I 8.06 4.43 1.83 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 1.22 0.68 0.85 0.00 0.00 71 E 8.66 5.29 0.00 1.91 1.88 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 2.52 2.47 0.00 72 S 8.84 4.49 0.00 3.92 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 73 E 8.54 4.78 0.00 1.82 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 2.22 2.47 0.00 74 G 8.01 3.73 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 0.00 0.00 0.00 75 K 8.68 4.27 0.00 1.79 2.14 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.29 7.81