NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3033 8.1631 117.3743 63.2542 69.1915 172.9715 2 G 3.6182 8.2849 116.6957 44.0754 0.0000 171.9407 3 A 4.3634 8.1835 126.0036 53.3818 20.6907 178.2047 4 G 4.1356 7.6040 111.0901 45.6498 0.0000 176.4819 5 T 3.8638 8.8282 117.5821 66.2518 68.3213 173.6930 6 P 4.4207 0.0000 0.0000 64.8763 31.3416 177.3437 7 S 4.5966 8.4420 114.4919 59.0505 63.5200 175.7890 8 Q 3.9666 7.9666 121.7120 58.4332 28.2747 178.3919 9 G 3.6692 8.0378 107.9494 48.1302 0.0000 174.3645 10 K 4.1922 7.4022 117.0339 57.2540 32.3279 178.1592 11 K 4.3407 7.6170 119.4992 55.6208 30.1264 175.8152 12 N 5.0404 8.1338 117.1611 52.3968 38.5535 175.2766 13 T 4.3515 7.8619 114.4427 63.4993 69.7343 174.0909 14 T 4.5508 8.3013 120.7593 62.0672 69.9800 172.4262 15 T 4.2993 7.5569 114.9648 63.0593 71.2866 172.9414 16 H 4.7062 8.1040 119.4757 55.1334 29.8649 174.6650 17 T 4.8131 9.0595 113.1582 59.0156 72.9651 172.9308 18 K 4.1054 8.8112 123.1696 57.2101 32.6988 175.7457 19 C 4.1714 9.0712 129.2928 59.1889 32.1440 174.5176 20 R 3.6913 8.3081 126.3071 59.3839 30.1209 177.7917 21 R 3.6037 7.1255 116.7980 58.8604 29.8733 176.7206 22 C 4.2534 7.8548 110.9384 57.6999 30.6436 175.1701 23 G 3.8610 8.0190 108.0977 45.3168 0.0000 172.9697 24 E 4.3699 7.4028 119.7528 54.7345 31.2086 176.7171 25 K 4.6294 8.4549 125.7167 56.3646 29.4981 176.3480 26 S 4.7240 7.9985 113.5994 57.9040 67.1950 173.4419 27 Y 4.8425 8.7801 123.8496 56.8163 38.7116 173.1457 28 H 4.2395 8.8778 126.5292 56.2743 30.2981 175.3277 29 T 3.8521 9.0485 121.6643 63.5289 66.8400 174.8304 30 K 4.3452 8.1455 118.5809 57.6807 33.3914 177.2137 31 K 4.1413 7.9441 115.8854 55.4702 33.3841 176.1313 32 K 3.2828 8.0437 118.5617 56.6923 30.2836 174.8682 33 V 4.7404 6.6653 115.3817 61.4067 35.1047 172.4323 34 C 5.3511 9.1263 126.4426 57.8847 32.7250 174.7151 35 S 4.4231 8.7643 121.4463 60.0107 63.4549 175.2047 36 S 4.4826 8.3068 115.2663 60.2134 62.9213 174.2575 37 C 4.5126 8.1075 112.2268 57.2933 30.2625 174.9709 38 G 3.9898 8.2729 109.3563 45.5484 0.0000 173.4734 39 F 4.4661 8.0400 122.5996 59.9579 39.6680 175.7794 40 G 3.7538 8.6998 115.4998 45.9727 0.0000 173.4650 41 K 4.3835 7.9119 118.0346 57.0413 33.1910 176.0957 42 S 4.7040 8.1970 112.2426 56.0006 65.5977 174.9044 43 A 4.1965 8.7217 125.8657 54.4588 18.5098 177.8849 44 K 4.4697 7.0786 114.9310 55.1489 33.5028 176.7331 45 R 4.2895 8.1719 120.4783 55.9143 30.9190 176.4787 46 R 3.8613 8.3752 124.4853 56.6830 30.4085 175.2694 47 D 4.7203 7.7412 125.1325 53.0704 44.4854 173.8835 48 Y 4.5139 8.8699 121.6792 56.0924 41.7375 176.3101 49 E 4.0714 8.6333 121.7000 58.0649 29.6173 177.7835 50 W 4.6240 7.5325 115.1244 57.2474 28.7145 177.2141 51 Q 4.5155 7.5442 117.9749 56.6126 28.0940 175.4368 52 S 4.6599 7.5025 110.9080 56.7675 66.0989 174.6161 53 K 4.0915 8.5067 120.3447 56.3657 32.4903 178.0216 54 A 4.0412 8.8529 124.7598 55.1650 18.3530 178.9736 55 G 4.1630 7.7451 103.0131 44.8574 0.0000 173.2125 56 E 4.2237 7.9342 125.9420 56.3546 29.9150 174.2840 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 4.30 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 2 G 8.28 3.62 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 0.00 0.00 0.00 3 A 8.18 4.36 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 4 G 7.60 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 0.00 0.00 0.00 0.00 5 T 8.83 3.86 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 6 P 0.00 4.42 0.00 2.22 2.18 0.00 3.70 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 2.23 2.05 0.00 7 S 8.44 4.60 0.00 4.02 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 8 Q 7.97 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 9 G 8.04 3.67 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 0.00 0.00 0.00 10 K 7.40 4.19 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.40 7.81 11 K 7.62 4.34 0.00 1.91 1.78 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.37 7.81 12 N 8.13 5.04 0.00 2.76 2.81 0.00 0.00 6.32 7.71 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 13 T 7.86 4.35 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 14 T 8.30 4.55 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 15 T 7.56 4.30 3.63 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 0.00 0.00 0.00 1.06 0.00 0.00 16 H 8.10 4.71 0.00 3.08 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.06 4.81 4.34 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 1.32 0.00 0.00 18 K 8.81 4.11 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 C 9.07 4.17 0.00 3.22 2.85 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 20 R 8.31 3.69 0.00 1.58 1.52 0.00 3.22 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 1.46 1.52 0.00 21 R 7.13 3.60 0.00 0.67 1.28 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 22 C 7.85 4.25 0.00 3.11 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 23 G 8.02 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 24 E 7.40 4.37 0.00 1.77 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 2.29 2.41 0.00 25 K 8.45 4.63 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.53 7.81 26 S 8.00 4.72 0.00 3.87 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 27 Y 8.78 4.84 0.00 3.15 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 28 H 8.88 4.24 0.00 3.09 2.98 0.00 5.66 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.05 3.85 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 1.19 0.00 0.00 30 K 8.15 4.35 0.00 1.86 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 31 K 7.94 4.14 0.00 1.52 1.70 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 1.01 7.81 32 K 8.04 3.28 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.49 7.81 33 V 6.67 4.74 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 1.00 0.00 0.00 0.94 0.00 0.00 34 C 9.13 5.35 0.00 3.40 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 35 S 8.76 4.42 0.00 4.14 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.48 0.00 3.91 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 37 C 8.11 4.51 0.00 3.14 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 38 G 8.27 3.99 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 0.00 0.00 0.00 39 F 8.04 4.47 0.00 3.06 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 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 0.00 0.00 0.00 41 K 7.91 4.38 0.00 1.69 1.98 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 42 S 8.20 4.70 0.00 3.99 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 43 A 8.72 4.20 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 44 K 7.08 4.47 0.00 1.89 1.70 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 45 R 8.17 4.29 0.00 1.64 1.81 0.00 3.36 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 46 R 8.38 3.86 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.44 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 47 D 7.74 4.72 0.00 2.49 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 0.00 0.00 0.00 0.00 48 Y 8.87 4.51 0.00 1.49 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.07 0.00 2.01 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 0.00 2.29 2.25 0.00 50 W 7.53 4.62 0.00 3.50 3.33 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 51 Q 7.54 4.52 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.08 1.75 0.00 52 S 7.50 4.66 0.00 3.97 3.80 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 0.00 0.00 0.00 0.00 53 K 8.51 4.09 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.85 4.04 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 55 G 7.75 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 56 E 7.93 4.22 0.00 1.89 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 2.24 2.25 0.00