NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3256 8.0327 117.3715 63.1710 70.0950 174.5018 3 D 4.2786 8.6687 124.9619 56.6032 41.8673 176.7785 4 I 3.7550 8.8458 121.3414 64.8076 38.0401 178.1394 5 C 4.6838 8.2564 115.5225 58.8859 40.0247 174.4262 6 K 4.4188 7.7835 117.6758 55.9192 32.3342 176.8118 7 L 4.1818 7.6437 120.0655 53.8335 42.0782 175.3941 8 P 4.4333 0.0000 0.0000 61.7663 32.1692 176.0838 9 K 3.0068 8.0944 120.7079 56.6402 31.9124 175.8568 10 D 4.5903 7.6229 124.2822 52.1947 42.4053 175.5732 11 E 4.6507 8.8025 126.9780 57.0828 30.4976 178.8187 12 G 4.1148 8.4003 107.5338 46.1605 0.0000 170.8539 13 T 4.3407 8.1104 114.0309 61.6376 70.4695 173.6192 14 C 4.0201 8.7707 116.6329 57.1226 38.3353 173.1352 15 R 3.6074 7.8361 115.1809 56.1290 30.9572 177.0967 16 D 4.6470 7.4298 119.2155 52.8902 38.3106 176.9605 17 F 4.6730 7.5909 117.2498 58.0925 40.2498 176.3888 18 I 4.8393 9.1334 123.0745 59.2565 41.7808 173.8433 19 L 3.7697 8.3224 129.3437 54.5201 42.0905 176.2017 20 K 4.7742 8.3794 122.8261 54.2416 36.8044 174.7604 21 W 5.6306 9.3161 119.9352 55.3963 32.7347 174.7671 22 Y 5.6412 9.4736 120.9206 55.5263 41.8391 173.3694 23 Y 4.6014 9.7072 122.5757 56.8164 40.7896 173.6030 24 D 4.8758 8.0018 127.4191 51.7566 42.1139 175.1639 25 P 4.2467 0.0000 0.0000 65.1320 31.7730 177.5471 26 N 4.4740 8.4352 116.9462 55.5232 38.5387 175.8970 27 T 4.2696 7.7565 105.3205 60.4118 69.9650 174.1991 28 K 3.9643 7.8928 120.3764 55.9473 30.1660 174.6344 29 S 4.8272 7.0028 110.2324 57.6421 66.6994 173.5748 30 C 5.2328 8.9999 117.8345 55.9994 40.4950 173.2020 31 A 5.0278 8.7105 122.8379 50.2448 22.7653 175.5129 32 R 4.2103 8.1342 117.9231 55.8347 31.2849 176.1700 33 F 4.9559 8.5303 115.7106 55.6165 41.7744 172.9545 34 W 4.8904 8.9510 120.7772 56.1082 30.1404 174.9074 35 Y 5.1866 8.9700 126.9316 56.0428 40.0194 176.6225 36 G 2.8410 8.5331 113.8546 47.0054 0.0000 174.9552 37 G 3.7372 6.1437 106.4997 45.4749 0.0000 174.2504 38 C 4.9504 7.4901 116.5037 55.8380 44.2059 173.7678 39 G 4.1606 8.8137 107.4885 46.7100 0.0000 174.3515 40 G 4.0946 8.2800 109.8982 43.7831 0.0000 171.7007 41 N 5.1060 8.0373 115.9973 51.0908 40.1659 173.4978 42 E 4.0115 8.5749 115.7921 58.5094 30.1537 177.3069 43 N 4.7656 7.9249 119.6386 51.4842 36.6214 173.5875 44 K 4.9261 6.8320 119.7178 55.3676 35.6802 174.7443 45 F 5.0311 9.6950 125.9755 55.6666 42.8992 176.4336 46 G 3.8632 9.1489 109.4086 47.4836 0.0000 174.3940 47 S 4.6506 7.6954 113.8595 55.7164 67.3254 174.5826 48 Q 2.7200 7.2084 123.2480 58.5268 28.6009 178.2870 49 K 3.6472 7.4779 120.2131 59.4417 32.2257 178.2270 50 E 3.7967 7.8745 119.3777 59.2489 29.5892 177.8315 51 C 2.4500 7.5904 118.0709 59.2260 44.2754 175.4998 52 E 3.7744 8.0527 120.2840 59.0894 28.7652 179.4215 53 K 3.8193 7.6161 117.5508 59.5951 32.2420 179.3130 54 V 3.6774 7.3246 116.9380 65.2217 31.5034 176.4335 55 C 4.4557 7.6112 113.7890 57.1042 42.0059 173.7864 56 A 4.1086 7.6041 127.1653 52.3148 17.9300 176.9204 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 T 8.03 4.33 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 1.25 0.00 0.00 3 D 8.67 4.28 0.00 2.85 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 4 I 8.85 3.75 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.94 0.00 0.00 5 C 8.26 4.68 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 6 K 7.78 4.42 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 7 L 7.64 4.18 0.00 1.81 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.43 0.00 2.09 2.02 0.00 3.77 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 1.93 1.92 0.00 9 K 8.09 3.01 0.00 0.79 1.10 0.00 0.96 0.00 0.00 1.19 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.79 0.21 7.81 10 D 7.62 4.59 0.00 2.56 2.42 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 11 E 8.80 4.65 0.00 2.23 2.26 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 2.95 2.42 0.00 12 G 8.40 4.11 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 0.00 13 T 8.11 4.34 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 1.18 0.00 0.00 14 C 8.77 4.02 0.00 2.98 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 15 R 7.84 3.61 0.00 1.65 1.89 0.00 3.68 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 16 D 7.43 4.65 0.00 2.46 2.55 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 17 F 7.59 4.67 0.00 2.96 3.22 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 18 I 9.13 4.84 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.66 1.03 0.00 0.00 19 L 8.32 3.77 0.00 1.13 1.04 0.49 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.38 4.77 0.00 0.79 1.53 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.27 7.81 21 W 9.32 5.63 0.00 3.42 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 22 Y 9.47 5.64 0.00 3.22 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 23 Y 9.71 4.60 0.00 3.12 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 24 D 8.00 4.88 0.00 2.36 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 25 P 0.00 4.25 0.00 2.27 2.34 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 26 N 8.44 4.47 0.00 2.85 2.90 0.00 0.00 6.88 7.07 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 27 T 7.76 4.27 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 1.21 0.00 0.00 28 K 7.89 3.96 0.00 1.91 1.99 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 29 S 7.00 4.83 0.00 3.82 3.88 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 0.00 0.00 0.00 30 C 9.00 5.23 0.00 2.90 3.26 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 31 A 8.71 5.03 1.05 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 0.00 0.00 32 R 8.13 4.21 0.00 1.17 1.31 0.00 2.69 0.00 0.00 2.73 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 33 F 8.53 4.96 0.00 3.03 3.08 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 34 W 8.95 4.89 0.00 3.27 3.29 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 35 Y 8.97 5.19 0.00 2.71 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 2.84 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 37 G 6.14 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 0.00 0.00 0.00 38 C 7.49 4.95 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 4.16 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 0.00 40 G 8.28 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.04 5.11 0.00 2.74 2.78 0.00 0.00 5.94 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 42 E 8.57 4.01 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 43 N 7.92 4.77 0.00 3.01 2.91 0.00 0.00 6.88 6.83 0.00 0.00 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 K 6.83 4.93 0.00 1.83 1.57 0.00 1.19 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.18 1.41 7.81 45 F 9.69 5.03 0.00 3.17 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 46 G 9.15 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 47 S 7.70 4.65 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.21 2.72 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 49 K 7.48 3.65 0.00 1.69 1.63 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 50 E 7.87 3.80 0.00 2.12 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 2.47 2.48 0.00 51 C 7.59 2.45 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.77 0.00 1.97 1.85 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 2.27 2.33 0.00 53 K 7.62 3.82 0.00 1.77 1.78 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.52 7.81 54 V 7.32 3.68 1.78 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 0.93 0.00 0.00 1.02 0.00 0.00 55 C 7.61 4.46 0.00 2.42 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.11 1.30 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 0.00 0.00 0.00