NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4375 8.3049 120.3272 55.5074 32.5469 173.6146 2 K 4.0103 8.2649 121.7858 56.7414 34.6853 176.5748 3 A 4.4796 8.5580 120.0954 52.6575 20.7883 178.5037 4 K 4.0515 9.3234 127.1332 58.5869 33.2902 177.4538 5 E 3.9493 8.3293 117.6035 59.3660 29.5470 178.2787 6 L 4.0230 7.7304 118.3613 57.3335 41.7568 177.5406 7 R 4.2786 8.0446 116.3482 56.0259 30.8323 174.4103 8 E 4.6026 8.6510 127.3786 56.1239 35.8092 178.6996 9 K 4.2685 6.3513 121.7665 55.9537 33.7985 175.3314 10 S 4.5821 8.3704 112.4892 57.7629 63.8465 174.3071 11 V 3.9289 7.6032 119.8989 62.1966 32.0018 176.2563 12 E 4.0660 8.8406 127.7670 57.9301 29.9127 177.7428 13 E 3.9209 7.8421 119.2596 60.0075 29.5690 178.1555 14 L 4.0494 7.9786 116.2489 57.7034 42.1383 177.1682 15 N 5.4681 8.0410 117.8261 53.4163 38.4018 174.6753 16 T 4.6987 7.4872 108.0544 61.5716 68.9724 174.6914 17 E 4.0816 8.4425 120.1761 58.5905 29.6933 179.2261 18 L 3.9329 7.9783 118.9867 57.6251 42.1269 176.9918 19 L 4.0347 7.8646 121.6917 55.5940 42.1748 176.2885 20 N 4.1209 8.8934 120.7879 54.1021 36.6610 174.3546 21 L 4.7735 7.9409 115.2716 53.9750 43.5677 177.3949 22 L 4.7563 7.6991 117.5509 54.8454 43.6910 177.9131 23 R 3.2206 8.1313 118.4023 59.4347 29.1797 177.8951 24 E 4.0446 8.2930 118.0634 59.4540 29.7711 178.9273 25 Q 4.0411 8.4443 117.6518 59.3736 28.2115 178.5000 26 F 3.9332 8.1555 118.9597 61.1360 39.1857 176.9157 27 N 4.4955 8.1299 115.1798 56.2987 38.0757 178.6151 28 L 4.3940 7.4916 117.8902 55.1696 40.9698 178.3330 29 R 4.2653 8.7913 117.5257 56.4389 30.3057 176.5461 30 M 4.2834 7.7317 119.0277 54.1550 31.9748 176.6859 31 Q 4.0662 8.3243 124.0298 56.5696 29.4966 177.2933 32 A 3.6387 8.4547 121.2734 52.8925 15.9222 179.1270 33 A 3.6313 6.9145 112.3635 53.9216 15.4781 175.4390 34 S 4.6108 8.9888 117.3532 56.8543 65.5311 172.9809 35 G 3.1863 8.7771 116.8059 45.1282 0.0000 173.1330 36 Q 4.1761 7.7908 120.6523 55.4201 28.1879 174.3221 37 L 4.7422 8.4017 122.1708 56.0667 45.3653 175.9052 38 Q 4.5879 7.4355 116.6329 55.9975 34.0778 178.2681 39 Q 4.3119 8.8863 122.6216 56.7140 26.9060 176.5146 40 S 4.4306 7.5271 117.9755 58.0076 62.3431 175.4057 41 H 4.6660 7.7306 122.1846 56.3929 28.4262 176.1247 42 L 4.4399 7.3577 125.5142 53.5793 40.8548 176.5750 43 L 4.6570 6.9933 118.1872 52.3923 45.0411 177.4942 44 K 4.1723 8.4445 122.7732 56.3080 30.8809 175.9545 45 Q 4.5100 8.3387 125.6490 56.6208 31.3869 178.8056 46 V 3.6249 7.7936 117.0170 66.0219 31.4560 178.1510 47 R 3.9344 7.8473 116.0802 59.2881 30.0859 178.6568 48 R 4.0088 7.9352 117.9259 59.1763 30.4396 177.7940 49 D 4.2392 7.7528 117.1820 56.8205 40.9651 178.0907 50 V 3.4001 7.6128 118.1430 67.5500 32.1930 176.6476 51 A 4.2232 7.8454 123.1702 52.5429 19.1035 174.6668 52 R 4.1057 8.2905 110.6256 58.0421 29.1186 178.8490 53 V 3.6861 7.4953 118.6449 64.5207 31.9880 177.9921 54 K 4.0574 7.7507 120.7591 58.7281 32.4266 176.5197 55 T 4.4371 7.4274 115.1654 63.2696 70.8532 173.7251 56 L 4.4802 8.5785 124.1919 56.9990 40.8961 176.1407 57 L 3.8916 7.8177 118.9283 58.7029 41.8812 178.5924 58 N 4.3162 8.1183 115.8785 56.4937 38.9651 176.1783 59 E 3.9402 8.2115 119.7276 59.8222 29.3333 179.5484 60 K 3.9576 8.1424 116.5179 59.6349 32.4203 178.2899 61 A 3.9412 8.8039 121.1602 53.7248 19.5257 181.1948 62 G 4.0745 6.7858 103.8987 43.8766 0.0000 173.6032 63 A 4.1435 8.8155 128.7360 52.2024 18.3394 177.5960 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 M 8.30 4.44 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 2 K 8.26 4.01 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.56 7.81 3 A 8.56 4.48 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 4 K 9.32 4.05 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 5 E 8.33 3.95 0.00 2.08 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 0.00 2.32 2.30 0.00 6 L 7.73 4.02 0.00 1.81 1.74 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.04 4.28 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 8 E 8.65 4.60 0.00 2.03 1.50 0.00 0.00 0.00 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 2.41 0.00 9 K 6.35 4.27 0.00 1.69 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.37 7.81 10 S 8.37 4.58 0.00 3.80 3.75 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 11 V 7.60 3.93 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 0.92 0.00 0.00 0.93 0.00 0.00 12 E 8.84 4.07 0.00 2.04 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 2.38 2.31 0.00 13 E 7.84 3.92 0.00 1.89 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 0.00 2.33 2.36 0.00 14 L 7.98 4.05 0.00 1.67 1.74 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.04 5.47 0.00 2.63 3.04 0.00 0.00 6.84 7.28 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 16 T 7.49 4.70 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 1.29 0.00 0.00 17 E 8.44 4.08 0.00 2.17 2.23 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 2.38 2.31 0.00 18 L 7.98 3.93 0.00 1.70 1.84 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 4.03 0.00 1.75 1.54 0.89 0.72 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 20 N 8.89 4.12 0.00 2.86 2.86 0.00 0.00 6.94 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 21 L 7.94 4.77 0.00 1.80 1.65 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.70 4.76 0.00 2.04 2.16 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.13 3.22 0.00 1.58 1.85 0.00 2.98 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 24 E 8.29 4.04 0.00 2.10 2.02 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 2.42 2.39 0.00 25 Q 8.44 4.04 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 26 F 8.16 3.93 0.00 3.13 3.23 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 27 N 8.13 4.50 0.00 2.79 2.84 0.00 0.00 7.09 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.49 4.39 0.00 1.69 1.70 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.79 4.27 0.00 1.81 1.91 0.00 3.03 0.00 0.00 3.03 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 30 M 7.73 4.28 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 31 Q 8.32 4.07 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 32 A 8.45 3.64 1.38 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 0.00 0.00 0.00 33 A 6.91 3.63 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 34 S 8.99 4.61 0.00 3.82 3.76 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 35 G 8.78 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 0.00 0.00 0.00 36 Q 7.79 4.18 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 37 L 8.40 4.74 0.00 1.55 1.61 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.44 4.59 0.00 2.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.36 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 39 Q 8.89 4.31 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.70 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 40 S 7.53 4.43 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.73 4.67 0.00 3.09 3.25 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.36 4.44 0.00 1.67 1.61 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 L 6.99 4.66 0.00 1.61 1.53 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.44 4.17 0.00 1.69 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 45 Q 8.34 4.51 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 46 V 7.79 3.62 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 1.08 0.00 0.00 0.93 0.00 0.00 47 R 7.85 3.93 0.00 1.80 1.96 0.00 3.38 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 48 R 7.94 4.01 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 49 D 7.75 4.24 0.00 2.96 2.81 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 50 V 7.61 3.40 2.20 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 0.88 0.00 0.00 0.99 0.00 0.00 51 A 7.85 4.22 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 52 R 8.29 4.11 0.00 2.05 1.95 0.00 3.13 0.00 0.00 3.39 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 53 V 7.50 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 54 K 7.75 4.06 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 55 T 7.43 4.44 4.36 0.00 0.00 0.00 0.00 0.00 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 56 L 8.58 4.48 0.00 1.96 1.82 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.82 3.89 0.00 1.75 1.69 0.92 0.55 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 58 N 8.12 4.32 0.00 2.87 2.93 0.00 0.00 7.01 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 59 E 8.21 3.94 0.00 2.19 2.02 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 2.41 2.44 0.00 60 K 8.14 3.96 0.00 1.71 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.68 7.81 61 A 8.80 3.94 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 62 G 6.79 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 63 A 8.82 4.14 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