NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4001 8.1476 118.2996 54.6557 34.0390 174.4147 2 Q 4.0454 7.6312 118.3127 54.8129 29.9112 173.4936 3 Y 4.9960 8.7453 119.5740 56.0885 42.7888 175.4798 4 K 4.9117 8.9288 122.2783 54.6186 35.8424 174.1743 5 L 5.7127 8.5350 128.1929 52.7053 44.4615 174.8279 6 I 4.8926 8.3403 126.5401 59.4171 40.4540 174.2386 7 L 4.9440 10.2164 126.3396 53.3204 44.1735 175.4130 8 N 4.9478 8.7907 121.1539 51.9207 42.3128 172.2980 9 G 4.2508 8.4543 104.6847 45.9567 0.0000 173.0937 10 K 4.1025 8.4223 119.0825 59.3794 32.3043 178.4456 11 T 4.4923 7.7559 111.8029 62.7691 69.4024 173.5504 12 L 4.6686 7.8547 123.4389 53.1934 43.8997 175.3629 13 K 4.7885 8.4514 126.9607 54.7793 35.1828 175.2758 14 G 4.4175 9.1638 111.9628 45.3393 0.0000 171.7582 15 E 5.1606 8.7685 119.0686 54.6692 32.5597 174.9325 16 T 4.9001 9.4753 119.2427 62.1666 73.5995 172.8545 17 T 5.0580 8.2299 112.1698 60.7829 71.5466 173.2668 18 T 4.9237 8.9606 120.9862 61.9735 73.6444 172.2332 19 E 5.0204 8.9530 123.9800 54.7122 32.4488 174.4825 20 A 4.7470 8.4761 126.6176 50.8866 22.5627 176.3501 21 V 3.7394 8.6222 118.2300 65.9014 32.0572 175.7382 22 D 4.9777 8.1271 118.4801 51.6386 43.4743 175.9664 23 A 3.4139 8.8437 120.8377 54.7141 17.9850 179.4665 24 A 3.8166 8.1082 119.4565 55.3978 18.1297 179.8294 25 T 3.6396 8.6242 108.3126 64.9018 68.8656 177.0515 26 A 3.8896 7.3472 123.5804 54.2674 18.1458 178.9732 27 E 3.1209 9.1436 117.7308 59.1672 29.3009 179.3931 28 K 3.8229 7.0414 116.8286 59.4449 32.5042 179.5183 29 V 3.7968 7.3886 118.0689 64.6678 31.3340 178.3433 30 F 3.9527 9.3715 119.5222 60.4546 38.7794 177.7303 31 K 3.7966 8.0584 117.9129 59.4481 31.4872 179.1451 32 Q 4.0359 8.0644 119.8548 58.9395 28.8946 177.4532 33 Y 3.8468 8.2349 120.7673 60.5914 38.7975 178.1193 34 A 4.1286 8.4112 121.1574 55.2700 18.4728 178.9800 35 N 4.2869 8.1034 114.4697 57.0218 39.1403 176.6325 36 D 4.4433 9.6159 119.2174 56.0157 41.7946 176.7275 37 N 4.6862 7.6449 116.5218 58.5861 39.0838 177.7492 38 G 3.6445 6.5262 106.3323 46.8970 0.0000 174.7872 39 V 4.1250 8.3252 118.1011 61.1840 33.2103 174.7231 40 D 4.9162 8.5319 126.0474 51.9986 41.0147 174.5561 41 G 3.8616 8.2732 116.2943 45.0671 0.0000 170.0112 42 E 4.7553 10.0563 121.9114 54.4073 31.9215 175.9756 43 W 5.1621 8.8761 135.0000 55.9160 33.0698 174.4701 44 T 4.9287 8.7938 119.8916 60.5431 70.7656 171.8739 45 Y 4.5226 8.4651 126.7094 55.9132 41.8509 173.7061 46 D 4.5974 7.5724 126.3113 52.2803 43.2145 177.2231 47 D 4.0709 8.3369 122.8868 55.7988 40.0821 177.6084 48 A 4.0626 7.5757 122.3162 54.4179 18.4720 178.0645 49 T 4.1968 7.4228 109.5243 63.8403 69.5676 175.0912 50 K 4.3198 7.1846 120.9838 57.9996 31.8640 174.4530 51 T 5.0128 7.4583 117.2576 62.8763 72.9673 173.9300 52 F 5.3703 8.8558 122.6475 56.3035 41.9192 174.7631 53 T 4.9389 8.5782 118.8625 61.9051 73.1937 172.8878 54 V 4.0589 8.1746 123.0756 61.2372 34.3415 174.3714 55 T 4.7442 8.8707 124.3867 61.7251 72.1906 174.2646 56 E 4.2047 8.6618 124.1626 56.5222 29.8086 175.9178 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 8.15 4.40 0.00 2.10 2.53 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 2 Q 7.63 4.05 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 3 Y 8.75 5.00 0.00 2.82 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 4 K 8.93 4.91 0.00 1.89 1.72 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.53 7.81 5 L 8.54 5.71 0.00 1.08 0.80 0.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.34 4.89 1.84 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 1.34 1.11 0.87 0.00 0.00 7 L 10.22 4.94 0.00 1.67 1.56 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.79 4.95 0.00 2.52 2.69 0.00 0.00 7.08 7.51 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 9 G 8.45 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 0.00 0.00 0.00 0.00 10 K 8.42 4.10 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.40 7.81 11 T 7.76 4.49 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 L 7.85 4.67 0.00 1.60 1.53 0.93 0.54 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 13 K 8.45 4.79 0.00 1.74 1.60 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.55 7.81 14 G 9.16 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 5.16 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 2.16 2.30 0.00 16 T 9.48 4.90 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 1.12 0.00 0.00 17 T 8.23 5.06 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 1.25 0.00 0.00 18 T 8.96 4.92 4.64 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 1.35 0.00 0.00 19 E 8.95 5.02 0.00 2.00 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 2.20 2.29 0.00 20 A 8.48 4.75 1.36 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 0.00 0.00 0.00 21 V 8.62 3.74 2.13 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 0.97 0.00 0.00 0.97 0.00 0.00 22 D 8.13 4.98 0.00 3.03 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.84 3.41 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.82 1.32 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 0.00 0.00 0.00 25 T 8.62 3.64 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 1.22 0.00 0.00 26 A 7.35 3.89 0.16 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 0.00 0.00 27 E 9.14 3.12 0.00 1.38 1.71 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 1.90 1.63 0.00 28 K 7.04 3.82 0.00 1.66 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.49 7.81 29 V 7.39 3.80 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 0.82 0.00 0.00 1.09 0.00 0.00 30 F 9.37 3.95 0.00 2.89 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 31 K 8.06 3.80 0.00 1.77 1.66 0.00 1.32 0.00 0.00 0.89 0.00 0.00 2.26 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.06 1.35 7.81 32 Q 8.06 4.04 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 33 Y 8.23 3.85 0.00 2.97 3.06 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 34 A 8.41 4.13 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 0.00 0.00 0.00 0.00 0.00 35 N 8.10 4.29 0.00 2.89 2.98 0.00 0.00 7.32 8.62 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 36 D 9.62 4.44 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.64 4.69 0.00 2.64 2.66 0.00 0.00 6.92 6.88 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 38 G 6.53 3.64 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 0.00 0.00 0.00 39 V 8.33 4.13 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 0.86 0.00 0.00 0.96 0.00 0.00 40 D 8.53 4.92 0.00 2.81 2.66 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 41 G 8.27 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 10.06 4.76 0.00 2.09 1.82 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 2.31 2.30 0.00 43 W 8.88 5.16 0.00 3.68 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.79 4.93 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 1.26 0.00 0.00 45 Y 8.47 4.52 0.00 2.59 2.76 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 46 D 7.57 4.60 0.00 2.21 2.32 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 0.00 47 D 8.34 4.07 0.00 2.69 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 48 A 7.58 4.06 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 49 T 7.42 4.20 4.18 0.00 0.00 0.00 0.00 0.00 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 50 K 7.18 4.32 0.00 2.15 2.20 0.00 1.50 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.28 7.81 51 T 7.46 5.01 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 1.41 0.00 0.00 52 F 8.86 5.37 0.00 3.21 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.94 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 1.22 0.00 0.00 54 V 8.17 4.06 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 -0.18 0.00 0.00 55 T 8.87 4.74 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 1.18 0.00 0.00 56 E 8.66 4.20 0.00 2.01 2.00 0.00 0.00 0.00 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