NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3310 8.2493 123.5828 51.5337 19.5643 174.1501 3 K 4.3630 7.2592 119.9596 54.2664 35.7258 173.8411 4 H 4.2632 9.0647 121.0056 58.0199 30.8043 174.8528 5 P 4.4124 0.0000 0.0000 62.7050 32.5063 176.3128 6 V 4.4293 7.9555 120.8304 60.1960 34.5601 172.5182 7 P 4.2473 0.0000 0.0000 63.0247 31.1622 176.4048 8 K 4.1276 8.6554 124.6637 58.5861 32.5573 176.5668 9 K 4.6285 7.4591 115.5637 54.2158 36.0484 175.4531 10 K 4.0024 8.5049 123.3948 56.2940 32.5514 176.6912 11 T 3.9797 8.4655 117.4115 61.1767 69.1949 174.9322 12 S 4.2532 8.6860 121.9026 58.3701 64.6583 175.3428 13 K 3.8529 8.6449 122.1405 59.9647 31.7781 178.7423 14 A 3.9245 8.1658 119.9208 56.1012 18.1222 179.5490 15 R 3.8033 8.2019 115.6693 59.0580 29.9820 178.8189 16 R 3.8233 7.8508 118.1993 59.7731 30.4265 178.0035 17 D 4.4260 8.5323 118.6412 57.1801 40.8990 178.6068 18 A 3.9817 8.2880 121.6801 55.1952 18.0784 179.6791 19 R 3.9571 7.7374 116.5131 59.2150 30.3234 177.9804 20 R 4.0183 7.8100 116.4135 55.9971 29.7680 178.0983 21 S 4.0269 7.4877 115.3812 61.9364 62.7180 175.3859 22 H 4.5615 7.9365 114.3051 56.4976 28.6278 175.5969 23 H 4.3476 8.4136 116.7569 56.4934 28.8686 175.5391 24 A 4.0110 7.8235 122.2595 52.4888 18.6680 176.4303 25 L 4.5619 8.2048 121.7535 53.6311 43.8220 175.6049 26 T 4.4534 8.1210 119.0633 59.5743 68.5407 172.7400 27 P 4.3672 0.0000 0.0000 61.7139 31.9952 174.5262 28 P 4.3685 0.0000 0.0000 63.1664 31.7840 175.4732 29 T 4.4960 8.2835 109.9345 60.6276 70.2844 173.4668 30 L 5.0971 8.5027 125.5199 52.8769 45.5029 176.2666 31 V 4.6076 8.6953 114.5527 58.9006 36.0537 173.5534 32 P 4.6583 0.0000 0.0000 62.5180 32.3703 175.5725 33 C 4.4090 8.4186 123.9870 57.3444 31.9991 173.5247 34 P 4.6156 0.0000 0.0000 61.7909 30.3606 177.1859 35 E 5.6447 7.9041 121.0456 55.2742 31.3458 175.9794 36 C 4.3632 8.2633 114.3894 56.2548 29.6313 174.9681 37 K 3.9814 8.9048 120.2709 59.9346 32.7052 177.1410 38 A 3.8234 7.5357 119.9831 50.3027 19.2782 176.3759 39 M 4.9250 8.6402 123.3048 54.4872 33.1923 175.8690 40 K 4.8329 8.9766 121.9830 54.2256 36.9182 173.7470 41 P 5.0546 0.0000 0.0000 61.4068 31.9612 174.4293 42 P 4.2136 0.0000 0.0000 63.9802 32.0407 175.3830 43 H 3.9857 8.7436 117.0099 57.2517 25.8519 174.8615 44 T 4.4378 7.6328 114.8128 61.3167 71.3753 174.2007 45 V 3.3099 8.3826 126.9406 62.8791 31.9490 174.5232 46 C 4.8169 8.0287 126.9837 57.2442 34.3612 171.9026 47 P 4.2621 0.0000 0.0000 66.0661 31.3937 176.5402 48 E 4.7318 7.7308 123.5248 55.2830 27.0338 176.4115 49 C 4.0819 9.0274 122.9140 61.2374 28.2206 180.2764 50 G 3.2141 7.9338 105.6118 45.3422 0.0000 177.6192 51 Y 4.8152 8.0046 123.5184 56.6813 43.2010 172.0356 52 Y 4.0149 5.3700 117.7843 58.8949 38.7960 175.4582 53 A 4.2962 7.4616 130.0553 52.5463 25.0377 179.7919 54 G 4.2021 8.9825 108.9022 46.4427 0.0000 171.1997 55 R 4.6385 8.1004 123.7275 54.4420 37.7400 175.2071 56 K 4.2451 7.9857 122.5981 56.9709 31.6154 176.4062 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 2 A 8.25 4.33 1.28 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 0.00 0.00 0.00 3 K 7.26 4.36 0.00 1.92 1.79 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.64 7.81 4 H 9.06 4.26 0.00 3.11 3.16 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.41 0.00 2.08 1.95 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 6 V 7.96 4.43 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 0.81 0.00 0.00 0.98 0.00 0.00 7 P 0.00 4.25 0.00 2.21 2.08 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 8 K 8.66 4.13 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.46 4.63 0.00 1.73 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.50 4.00 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.47 3.98 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 12 S 8.69 4.25 0.00 4.06 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 13 K 8.64 3.85 0.00 1.86 1.90 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.57 7.81 14 A 8.17 3.92 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 15 R 8.20 3.80 0.00 1.93 1.93 0.00 3.11 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 7.85 3.82 0.00 1.83 2.20 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.53 4.43 0.00 2.69 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 18 A 8.29 3.98 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 19 R 7.74 3.96 0.00 1.93 2.21 0.00 3.26 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 20 R 7.81 4.02 0.00 1.94 1.72 0.00 3.13 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.66 0.00 21 S 7.49 4.03 0.00 3.87 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 22 H 7.94 4.56 0.00 3.23 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.41 4.35 0.00 3.26 3.38 0.00 5.89 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 24 A 7.82 4.01 1.26 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 0.00 0.00 25 L 8.20 4.56 0.00 1.61 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.12 4.45 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 27 P 0.00 4.37 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 P 0.00 4.37 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 29 T 8.28 4.50 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 30 L 8.50 5.10 0.00 1.49 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.70 4.61 2.07 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 0.72 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.66 0.00 1.93 1.97 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 33 C 8.42 4.41 0.00 3.07 3.05 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 34 P 0.00 4.62 0.00 2.17 2.11 0.00 3.91 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 1.99 1.99 0.00 35 E 7.90 5.64 0.00 1.96 1.92 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 1.94 1.84 0.00 36 C 8.26 4.36 0.00 3.14 3.27 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 37 K 8.90 3.98 0.00 1.88 1.98 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 A 7.54 3.82 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 39 M 8.64 4.92 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 40 K 8.98 4.83 0.00 1.73 1.82 0.00 1.23 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.32 7.81 41 P 0.00 5.05 0.00 2.09 2.08 0.00 3.36 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 42 P 0.00 4.21 0.00 2.23 2.12 0.00 3.99 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 43 H 8.74 3.99 0.00 3.32 3.46 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.63 4.44 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 1.19 0.00 0.00 45 V 8.38 3.31 2.04 0.00 0.00 0.00 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 0.83 0.00 0.00 46 C 8.03 4.82 0.00 2.88 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 47 P 0.00 4.26 0.00 2.27 2.28 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 48 E 7.73 4.73 0.00 1.98 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 2.32 2.30 0.00 49 C 9.03 4.08 0.00 3.21 3.39 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 50 G 7.93 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.00 4.82 0.00 3.18 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 52 Y 5.37 4.01 0.00 1.43 2.33 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 0.00 53 A 7.46 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.98 4.20 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 0.00 55 R 8.10 4.64 0.00 1.79 1.86 0.00 3.38 0.00 0.00 3.52 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 56 K 7.99 4.25 0.00 1.95 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.43 7.81