NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3331 8.1593 117.3729 62.5719 70.1022 173.3782 2 P 4.3157 0.0000 0.0000 62.0320 32.6332 174.0874 3 D 4.5002 8.9231 121.8589 55.7539 41.5285 176.7087 4 C 4.8382 8.8742 119.3817 57.7136 44.1997 174.2162 5 V 4.7094 7.4024 110.1454 59.9058 36.1123 173.8211 6 T 4.9785 8.5884 118.5747 61.4076 72.0842 173.9008 7 G 3.9110 8.0154 110.7627 46.4336 0.0000 172.0056 8 K 4.8563 8.4308 118.6512 54.9079 33.4447 178.1339 9 V 3.7245 8.2425 122.1992 62.3121 30.7986 175.2548 10 E 4.2827 8.7587 130.1468 59.2134 30.0266 176.2343 11 Y 4.9668 7.0751 114.5525 56.5076 40.8907 173.0361 12 T 5.0890 8.7009 109.7348 59.8518 72.3975 173.0442 13 K 4.5161 8.7519 123.7906 54.8763 35.6782 174.4390 14 Y 4.4988 8.8208 128.9848 57.4815 39.7863 174.1321 15 N 5.0724 8.1882 123.3289 51.2307 41.6181 175.5257 16 D 4.4601 8.8432 119.7482 56.8152 41.4924 176.2556 17 D 4.8178 7.9939 117.2556 53.1251 39.7561 175.8124 18 D 3.9924 7.7997 115.9742 56.0819 39.2763 173.8771 19 T 4.5358 7.3352 109.2757 60.8109 71.5688 173.1183 20 F 5.1900 8.7089 123.1826 56.8531 42.2056 173.6742 21 T 5.2915 8.8837 123.5816 62.1364 71.1708 174.1420 22 V 4.7465 8.7416 123.0808 59.8832 35.5451 173.9649 23 K 4.7371 8.3688 124.5080 54.6306 34.4689 174.8828 24 V 4.3685 7.9371 126.6750 61.6872 34.7556 175.4451 25 G 3.7096 8.7457 115.6001 47.2145 0.0000 173.7251 26 D 4.7724 8.6958 124.9980 52.8306 40.1074 176.0931 27 K 4.7930 7.8333 119.3837 54.9175 35.5051 174.5266 28 E 4.9699 9.0933 125.7726 54.8070 31.2580 174.6884 29 L 5.5746 9.0065 126.2644 53.0073 46.6316 175.3846 30 F 5.6463 9.1524 114.8875 55.5111 41.8763 173.6200 31 T 4.4315 8.6945 113.7455 58.9260 70.2881 173.7892 32 N 4.9239 8.7101 124.4857 52.9457 38.0330 174.8334 33 R 4.3129 7.7149 119.8208 55.4528 30.7508 177.5072 34 W 4.2930 8.9700 123.9952 59.6789 29.5410 178.1375 35 N 4.3400 8.5699 114.7288 56.7526 38.2105 176.7190 36 L 4.2748 7.8722 117.4767 56.9731 41.6127 179.3085 37 Q 2.9559 7.9027 119.0334 58.8293 28.6706 179.0631 38 S 4.1790 7.8037 114.1943 60.8630 63.2499 176.2956 39 L 3.8558 7.7816 122.5681 57.7173 41.4594 179.1211 40 L 4.3036 8.5241 119.4421 57.8241 41.5461 179.3283 41 L 4.1513 8.0646 120.2888 58.3168 42.0008 179.2733 42 S 4.1597 8.1812 115.0513 61.4961 62.8760 176.5151 43 A 4.1140 8.3717 123.6749 54.9017 18.0364 179.5875 44 Q 3.9296 8.3196 118.2620 59.5655 29.0382 178.4718 45 I 3.7349 7.9838 119.9794 64.5111 37.1751 177.3116 46 T 4.1649 8.0791 107.4011 61.3331 69.0305 175.1000 47 G 3.9222 7.9930 109.7506 46.7514 0.0000 173.9911 48 M 4.2994 7.7773 118.6665 55.5576 33.5934 175.6019 49 T 4.8511 8.2317 117.6802 62.7542 70.1630 174.5354 50 V 4.9005 9.0452 119.8764 59.7554 35.6177 174.7798 51 T 4.8717 8.2522 118.7190 61.8909 71.8554 173.0223 52 I 4.5554 8.2138 127.0747 59.5577 39.4008 174.6563 53 K 4.8525 8.3328 126.7355 55.1088 33.4203 175.7892 54 T 4.5291 8.0862 117.6580 61.4121 70.2723 173.3459 55 N 4.4556 9.0675 124.0369 54.7378 39.7392 175.8196 56 A 4.4488 7.6574 124.5430 50.9875 17.9652 177.2058 57 C 4.7457 7.5410 125.3757 53.6740 44.1557 171.5680 58 H 4.8911 7.2259 117.2066 53.8044 31.2083 173.7481 59 N 4.6937 8.6494 118.3313 55.2088 38.6268 175.9180 60 G 4.0744 9.5317 111.9107 45.1102 0.0000 173.8049 61 G 3.9784 7.6692 107.4433 45.2097 0.0000 173.8122 62 G 3.8056 8.4020 108.8364 45.1509 0.0000 172.7448 63 F 5.1689 7.9889 114.5328 55.8115 41.0656 174.9625 64 S 4.5442 8.8117 111.6061 57.3550 64.6486 173.3602 65 E 4.7107 8.2640 121.7412 54.8504 31.1362 175.0877 66 V 4.6894 8.3528 123.4732 61.0231 35.2286 174.2672 67 I 4.4073 8.6011 127.5649 59.4836 40.0360 174.4113 68 F 4.8960 8.9707 126.0738 56.1244 39.8525 176.1072 69 R 4.3502 8.7458 122.7470 56.1692 30.4381 176.2655 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 T 8.16 4.33 4.23 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 1.20 0.00 0.00 2 P 0.00 4.32 0.00 2.17 2.16 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 3 D 8.92 4.50 0.00 2.53 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 4 C 8.87 4.84 0.00 2.89 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 4.71 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 0.65 0.00 0.00 0.78 0.00 0.00 6 T 8.59 4.98 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 1.22 0.00 0.00 7 G 8.02 3.91 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 0.00 0.00 0.00 8 K 8.43 4.86 0.00 1.65 1.75 0.00 1.81 0.00 0.00 1.12 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.27 7.81 9 V 8.24 3.72 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 0.77 0.00 0.00 0.96 0.00 0.00 10 E 8.76 4.28 0.00 1.95 1.84 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 2.44 2.30 0.00 11 Y 7.08 4.97 0.00 3.00 2.97 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 12 T 8.70 5.09 3.65 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 1.46 0.00 0.00 13 K 8.75 4.52 0.00 1.78 1.62 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.38 7.81 14 Y 8.82 4.50 0.00 3.24 2.90 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 0.00 0.00 0.00 15 N 8.19 5.07 0.00 2.75 2.61 0.00 0.00 6.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.84 4.46 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.99 4.82 0.00 2.85 2.73 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 18 D 7.80 3.99 0.00 3.08 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.54 4.45 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 1.33 0.00 0.00 20 F 8.71 5.19 0.00 2.93 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 21 T 8.88 5.29 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 22 V 8.74 4.75 2.27 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 0.67 0.00 0.00 0.95 0.00 0.00 23 K 8.37 4.74 0.00 0.89 0.74 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.02 1.15 7.81 24 V 7.94 4.37 1.91 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 0.78 0.00 0.00 0.79 0.00 0.00 25 G 8.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.77 0.00 2.78 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 27 K 7.83 4.79 0.00 1.63 1.67 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.44 7.81 28 E 9.09 4.97 0.00 2.09 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 2.26 2.27 0.00 29 L 9.01 5.57 0.00 1.71 1.87 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.15 5.65 0.00 3.10 3.12 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 31 T 8.69 4.43 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 1.08 0.00 0.00 32 N 8.71 4.92 0.00 2.96 3.05 0.00 0.00 6.18 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 33 R 7.71 4.31 0.00 1.89 1.93 0.00 3.25 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 34 W 8.97 4.29 0.00 3.37 3.16 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 0.00 0.00 0.00 35 N 8.57 4.34 0.00 2.76 2.96 0.00 0.00 6.93 7.85 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 36 L 7.87 4.27 0.00 1.88 1.87 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.90 2.96 0.00 1.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.60 2.13 0.00 38 S 7.80 4.18 0.00 4.00 4.05 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 0.00 0.00 0.00 39 L 7.78 3.86 0.00 1.79 1.34 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.52 4.30 0.00 2.02 2.07 1.37 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.06 4.15 0.00 2.02 1.72 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.18 4.16 0.00 4.08 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 43 A 8.37 4.11 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.32 3.93 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 45 I 7.98 3.73 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.93 0.00 0.00 46 T 8.08 4.16 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 1.29 0.00 0.00 47 G 7.99 3.92 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 0.00 0.00 0.00 48 M 7.78 4.30 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 49 T 8.23 4.85 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 1.22 0.00 0.00 50 V 9.05 4.90 1.73 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 0.68 0.00 0.00 0.77 0.00 0.00 51 T 8.25 4.87 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 1.12 0.00 0.00 52 I 8.21 4.56 1.54 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.35 0.32 0.00 0.00 53 K 8.33 4.85 0.00 1.59 1.70 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.30 7.81 54 T 8.09 4.53 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 1.18 0.00 0.00 55 N 9.07 4.46 0.00 2.75 2.85 0.00 0.00 6.86 7.35 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 56 A 7.66 4.45 1.22 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 0.00 0.00 0.00 57 C 7.54 4.75 0.00 3.07 3.02 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 58 H 7.23 4.89 0.00 3.36 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.65 4.69 0.00 2.78 2.87 0.00 0.00 7.09 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 60 G 9.53 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 61 G 7.67 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 0.00 0.00 0.00 62 G 8.40 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 63 F 7.99 5.17 0.00 2.92 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 64 S 8.81 4.54 0.00 3.90 3.85 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 65 E 8.26 4.71 0.00 2.14 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 2.33 2.30 0.00 66 V 8.35 4.69 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 0.05 0.00 0.00 1.02 0.00 0.00 67 I 8.60 4.41 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.90 0.00 0.00 68 F 8.97 4.90 0.00 2.92 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 69 R 8.75 4.35 0.00 1.76 1.79 0.00 3.12 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00