NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3717 8.1744 110.9443 61.1672 70.6782 173.4765 6 N 4.8508 7.8294 120.7232 52.9712 39.4322 172.8796 7 S 4.5696 8.8114 113.2846 57.8274 65.2729 173.8148 8 D 4.7689 8.7587 121.6070 55.2640 41.9274 175.3681 9 F 5.2434 7.8521 113.1814 56.0306 40.8706 173.9055 10 V 4.5743 9.1173 113.8102 59.7510 34.8872 174.7049 11 V 4.8480 8.4256 123.0022 61.4025 33.9707 174.6367 12 I 5.1177 8.8559 127.6173 59.4911 41.6374 173.9440 13 K 4.9822 9.4231 127.9624 54.1372 35.0163 174.9906 14 A 4.3255 8.6115 129.9222 52.3390 19.1067 177.3008 15 L 4.7977 8.4759 122.3062 54.2574 42.3988 176.0493 16 E 4.6645 7.5587 115.2514 55.5100 31.7089 174.7966 17 D 4.5428 8.5230 119.6624 55.2394 41.5187 176.6416 18 G 3.8714 7.9986 105.3899 46.2366 0.0000 174.0521 19 V 3.8844 7.4826 120.5962 62.8456 32.7636 174.5133 20 N 5.1522 8.8594 125.5447 51.8582 40.6771 174.0014 21 V 4.5268 8.3812 124.3326 61.4920 33.3831 174.3442 22 I 4.4864 8.8003 129.8546 59.6020 39.5205 174.9335 23 G 4.3368 9.0752 114.0737 44.5993 0.0000 172.4897 24 L 5.3843 9.2879 126.5162 53.3134 44.0620 176.4565 25 T 4.3410 8.8269 113.3774 61.7555 69.4768 174.2731 26 R 4.2105 7.9006 124.9695 56.8833 30.8462 175.1357 27 G 3.8445 8.8710 108.6883 44.1856 0.0000 173.1065 28 A 4.0719 8.8271 121.6897 55.1737 18.6062 178.1623 29 D 4.7102 7.8050 113.2380 54.1798 42.3288 176.2107 30 T 4.6038 8.1436 120.3321 61.2484 68.8647 172.4906 31 R 4.7376 8.5923 122.1703 54.0472 33.5753 175.1894 32 F 5.5375 8.6680 117.5851 57.2776 39.4440 175.8559 33 H 5.0082 8.8775 117.6925 55.9804 30.6128 173.6306 34 H 4.5429 7.4612 116.1618 55.2259 33.1199 172.1561 35 S 4.7479 8.2012 119.3054 56.3610 64.9919 172.2712 36 E 4.5367 8.8351 128.8050 54.3737 31.3213 174.6778 37 K 4.8209 8.6296 127.1521 55.8844 33.1344 176.2920 38 L 4.9601 9.1860 125.1587 53.1031 44.7398 175.9413 39 D 4.8475 8.9277 122.4474 52.6084 43.1290 175.9887 40 K 3.9434 9.3029 122.2305 58.6152 32.3853 175.9774 41 G 4.1227 8.9111 114.4810 45.4988 0.0000 173.8558 42 E 4.1640 8.2779 119.5534 56.2952 30.6406 176.2545 43 V 4.8278 8.3465 123.4217 61.0081 33.8232 174.2485 44 L 4.7319 8.9717 129.8600 53.2933 44.7054 174.7221 45 I 4.9675 8.4056 126.6429 59.5482 39.1797 174.9541 46 A 4.6556 9.0273 128.3907 50.5583 22.6876 175.3881 47 Q 5.4471 8.4854 120.3063 54.3756 30.4528 175.7383 48 F 4.7008 8.4946 120.1636 57.8673 40.2253 174.9449 49 T 4.7324 9.0240 111.5695 59.8172 72.1195 174.1245 50 E 3.8745 8.9733 122.0709 59.6477 29.4601 177.4764 51 H 4.4966 8.1221 114.1823 56.4349 29.6614 174.7009 52 T 5.1428 8.1862 115.8130 60.8216 70.1756 174.1740 53 S 4.8921 8.6347 119.1567 57.6287 64.4364 173.0493 54 A 4.9242 7.6335 121.2190 51.3646 22.3953 175.3074 55 I 4.9075 8.5739 121.7077 59.3409 40.6825 174.6480 56 K 4.5633 9.1811 128.7459 54.5109 34.6205 174.6104 57 V 4.8029 8.3923 126.8937 61.2373 33.6343 174.7455 58 R 4.4920 9.0000 126.4592 55.8137 33.0477 175.5276 59 G 4.0819 9.0985 110.1288 43.9012 0.0000 172.5221 60 K 4.8479 8.8277 120.4063 55.7838 33.0228 175.6797 61 A 5.0792 8.6433 127.8287 51.1866 23.5191 173.8713 62 Y 4.8927 9.3399 121.6354 56.0164 40.9871 174.5396 63 I 4.8640 8.2189 127.6494 59.4728 40.7186 174.4439 64 Q 4.8424 9.0868 126.1876 54.2081 31.5796 174.9049 65 T 4.6455 8.4235 113.0612 59.1371 72.3234 174.7526 66 R 3.6387 8.4316 121.1855 59.6858 29.8288 176.2847 67 H 4.6906 8.9822 112.3839 55.2050 29.3700 174.6335 68 G 3.8123 6.9196 106.9507 43.9337 0.0000 172.9265 69 V 4.7832 7.6280 112.2780 59.9118 34.6241 175.1829 70 I 4.3678 7.7464 121.0369 60.3137 41.9987 172.7162 71 E 5.2942 8.6744 125.6747 54.5217 32.2637 175.8023 72 S 4.6561 9.1192 119.6776 57.7080 65.1241 172.9529 73 E 4.9052 8.7784 120.6359 54.4986 32.7988 176.2493 74 G 3.7205 8.6248 110.7802 45.7236 0.0000 173.0201 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 4.37 4.26 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 1.22 0.00 0.00 6 N 7.83 4.85 0.00 2.76 2.83 0.00 0.00 7.12 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 8.81 4.57 0.00 3.99 3.95 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 8 D 8.76 4.77 0.00 2.77 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 9 F 7.85 5.24 0.00 2.91 2.93 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 0.00 0.00 0.00 10 V 9.12 4.57 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 0.61 0.00 0.00 0.83 0.00 0.00 11 V 8.43 4.85 2.14 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 1.11 0.00 0.00 1.18 0.00 0.00 12 I 8.86 5.12 1.87 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 1.08 0.66 0.91 0.00 0.00 13 K 9.42 4.98 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.61 4.33 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 15 L 8.48 4.80 0.00 1.68 1.71 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.56 4.66 0.00 2.02 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 2.29 2.28 0.00 17 D 8.52 4.54 0.00 2.69 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 8.00 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 0.00 0.00 0.00 19 V 7.48 3.88 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 0.91 0.00 0.00 0.95 0.00 0.00 20 N 8.86 5.15 0.00 2.67 2.61 0.00 0.00 6.19 7.79 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 21 V 8.38 4.53 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.80 4.49 1.39 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.19 -0.49 0.00 0.00 23 G 9.08 4.34 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 0.00 24 L 9.29 5.38 0.00 1.90 1.71 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.83 4.34 4.28 0.00 0.00 0.00 0.00 0.00 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 26 R 7.90 4.21 0.00 1.87 1.94 0.00 3.22 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 1.43 0.00 27 G 8.87 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 A 8.83 4.07 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 29 D 7.81 4.71 0.00 2.66 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 8.14 4.60 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 8.59 4.74 0.00 1.85 2.04 0.00 2.78 0.00 0.00 3.39 7.23 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 8.67 5.54 0.00 2.86 2.93 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 0.00 0.00 0.00 33 H 8.88 5.01 0.00 3.16 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.46 4.54 0.00 3.10 2.91 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 8.20 4.75 0.00 3.71 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 36 E 8.84 4.54 0.00 2.14 1.75 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 2.20 2.29 0.00 37 K 8.63 4.82 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.50 7.81 38 L 9.19 4.96 0.00 1.52 1.53 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.93 4.85 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 9.30 3.94 0.00 1.63 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 8.91 4.12 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 0.00 42 E 8.28 4.16 0.00 2.14 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 2.32 2.25 0.00 43 V 8.35 4.83 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 8.97 4.73 0.00 1.74 1.45 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.41 4.97 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.57 0.00 0.00 46 A 9.03 4.66 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 8.49 5.45 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 48 F 8.49 4.70 0.00 3.03 2.99 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 49 T 9.02 4.73 4.30 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 1.25 0.00 0.00 50 E 8.97 3.87 0.00 1.94 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 2.09 2.30 0.00 51 H 8.12 4.50 0.00 3.18 3.15 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 8.19 5.14 4.33 0.00 0.00 0.00 0.00 0.00 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 53 S 8.63 4.89 0.00 3.95 4.08 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 0.00 0.00 0.00 0.00 54 A 7.63 4.92 1.31 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 0.00 0.00 0.00 55 I 8.57 4.91 1.85 0.00 0.00 0.40 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 0.66 0.84 0.00 0.00 56 K 9.18 4.56 0.00 1.77 1.54 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.39 4.80 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 0.90 0.00 0.00 58 R 9.00 4.49 0.00 1.74 1.78 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 59 G 9.10 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.83 4.85 0.00 1.87 1.72 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.38 7.81 61 A 8.64 5.08 1.25 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 0.00 0.00 0.00 62 Y 9.34 4.89 0.00 3.02 2.85 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 63 I 8.22 4.86 1.85 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 1.17 0.59 0.82 0.00 0.00 64 Q 9.09 4.84 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 65 T 8.42 4.65 4.14 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 1.16 0.00 0.00 66 R 8.43 3.64 0.00 1.58 1.75 0.00 3.15 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 67 H 8.98 4.69 0.00 3.14 3.26 0.00 5.70 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 6.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.63 4.78 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 0.74 0.00 0.00 0.98 0.00 0.00 70 I 7.75 4.37 1.82 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 1.35 0.84 0.00 0.00 71 E 8.67 5.29 0.00 1.90 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 2.55 2.49 0.00 72 S 9.12 4.66 0.00 3.87 3.97 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 0.00 0.00 0.00 73 E 8.78 4.91 0.00 1.83 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 2.21 2.28 0.00 74 G 8.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00