NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6261 8.2076 120.5291 54.5390 43.1727 177.4466 2 Y 3.9977 8.1546 117.6866 59.1348 37.8136 176.8242 3 L 3.4946 7.3201 121.9425 57.6160 42.2228 180.1129 4 R 3.8481 7.8124 117.4919 59.7659 29.7689 178.7602 5 E 4.0028 8.0308 116.5838 58.8116 29.5552 179.2247 6 L 4.1891 7.5692 119.3242 57.6388 42.1556 178.7056 7 L 3.8580 8.3987 120.5532 58.4514 41.6630 179.1230 8 K 3.9872 8.0087 118.5494 59.2685 32.3500 178.7161 9 L 4.1413 8.2530 119.6116 57.8750 41.6516 178.8532 10 E 3.9852 8.2949 118.1047 59.7464 28.9234 179.3816 11 L 3.9718 7.7933 118.0759 58.1199 41.7601 179.4806 12 Q 3.7958 8.3013 119.1892 59.0642 28.9003 178.3019 13 A 3.9942 7.5494 121.5861 55.1674 18.5824 179.4481 14 I 3.8148 8.1031 118.5754 64.6266 37.0003 178.4914 15 K 3.9714 8.0628 120.3616 59.4616 31.9158 179.0261 16 Q 3.9270 7.7803 117.7531 59.0733 28.7842 177.4603 17 Y 4.3497 7.6432 117.6996 61.6085 37.7596 179.1788 18 R 3.7636 7.8460 117.0617 59.4607 30.4614 178.6603 19 E 4.0708 7.9659 118.0794 59.3381 29.5007 178.8157 20 A 4.0283 8.7343 121.4806 55.7424 18.2631 179.7444 21 L 4.2666 8.8902 118.0818 57.1141 41.7200 179.2734 22 E 4.1608 8.1491 116.4978 58.3678 29.7544 177.7316 23 Y 4.3269 7.9150 120.0298 58.0430 39.6544 175.6296 24 V 4.3866 7.1849 117.5668 59.6360 34.5164 174.6900 25 K 4.4211 8.5059 121.4908 54.9016 31.9366 175.4190 26 L 4.6934 8.0413 124.0319 51.8982 43.8789 175.7660 27 P 4.2531 0.0000 0.0000 65.7477 31.2690 178.6715 28 V 3.6190 7.8911 117.1902 65.0553 30.9264 178.0033 29 L 3.9753 8.0227 119.1318 57.7368 41.4406 179.5274 30 A 3.9748 8.3293 120.9044 54.6843 18.2035 179.5468 31 K 3.8208 7.7865 117.7158 59.7093 32.1295 178.4898 32 I 3.4202 7.1499 118.5362 64.5130 37.2913 177.3560 33 L 3.6724 7.3064 120.6544 58.5165 41.6421 178.8361 34 E 3.9452 8.6413 119.4656 58.9760 29.5270 178.3879 35 D 4.1327 8.2029 119.4122 56.8172 40.7143 178.3618 36 E 3.8712 8.3556 119.5095 58.8620 29.5982 178.4788 37 E 3.9890 8.0422 118.1345 59.2411 29.4729 179.3801 38 K 3.4764 7.4176 119.5525 59.6087 32.2392 178.1828 39 H 4.1507 8.1365 116.8382 60.1133 28.7192 177.1979 40 I 3.5391 8.1800 119.9827 65.1800 36.8457 177.7295 41 E 4.2258 8.2676 119.1168 59.3779 29.3597 179.8145 42 W 4.5594 7.9068 118.4174 59.8712 29.2017 178.4310 43 L 4.0504 8.6695 119.1968 58.0662 40.9007 179.4611 44 E 4.0054 8.5992 117.2987 59.8306 29.3988 179.2025 45 T 4.0414 8.2644 115.9721 66.6173 68.4422 176.6998 46 I 3.8348 7.6536 121.4118 64.2757 37.1717 178.1128 47 L 4.0599 7.5245 116.3390 55.4637 41.4979 177.6640 48 G 4.1589 7.9677 113.9038 45.9756 0.0000 173.6568 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 D 8.21 4.63 0.00 2.82 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 2 Y 8.15 4.00 0.00 3.41 3.24 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 3 L 7.32 3.49 0.00 1.32 1.49 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.81 3.85 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 5 E 8.03 4.00 0.00 2.18 2.05 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 2.37 2.58 0.00 6 L 7.57 4.19 0.00 1.84 1.72 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.40 3.86 0.00 1.74 1.84 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.01 3.99 0.00 1.93 1.95 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 L 8.25 4.14 0.00 1.86 1.73 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.29 3.99 0.00 2.00 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 0.00 2.63 2.46 0.00 11 L 7.79 3.97 0.00 2.00 1.74 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.30 3.80 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 A 7.55 3.99 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 0.00 0.00 0.00 0.00 0.00 14 I 8.10 3.81 2.03 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 1.41 0.99 0.93 0.00 0.00 15 K 8.06 3.97 0.00 1.84 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 16 Q 7.78 3.93 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 17 Y 7.64 4.35 0.00 3.07 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 18 R 7.85 3.76 0.00 1.84 2.04 0.00 3.19 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 19 E 7.97 4.07 0.00 2.18 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 2.48 2.33 0.00 20 A 8.73 4.03 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.89 4.27 0.00 1.74 1.79 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.15 4.16 0.00 2.17 2.25 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 2.70 2.39 0.00 23 Y 7.91 4.33 0.00 2.96 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 24 V 7.18 4.39 2.21 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 1.00 0.00 0.00 0.97 0.00 0.00 25 K 8.51 4.42 0.00 1.72 1.81 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.48 7.81 26 L 8.04 4.69 0.00 1.70 1.58 0.96 1.08 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 27 P 0.00 4.25 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 V 7.89 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 0.85 0.00 0.00 0.93 0.00 0.00 29 L 8.02 3.98 0.00 2.02 1.87 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.33 3.97 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 31 K 7.79 3.82 0.00 1.83 1.92 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 32 I 7.15 3.42 1.39 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.18 0.00 0.00 33 L 7.31 3.67 0.00 1.76 1.65 0.93 0.95 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 34 E 8.64 3.95 0.00 2.05 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 2.19 2.26 0.00 35 D 8.20 4.13 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.87 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 37 E 8.04 3.99 0.00 1.88 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 2.34 2.45 0.00 38 K 7.42 3.48 0.00 1.54 1.44 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.88 7.81 39 H 8.14 4.15 0.00 3.30 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.18 3.54 2.05 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 1.63 0.90 0.90 0.00 0.00 41 E 8.27 4.23 0.00 1.94 2.01 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 2.30 2.40 0.00 42 W 7.91 4.56 0.00 3.73 3.16 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 43 L 8.67 4.05 0.00 1.84 1.74 1.02 1.18 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 44 E 8.60 4.01 0.00 2.04 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 2.36 2.52 0.00 45 T 8.26 4.04 4.47 0.00 0.00 0.00 0.00 0.00 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 46 I 7.65 3.83 2.06 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 1.51 0.84 0.88 0.00 0.00 47 L 7.52 4.06 0.00 1.62 1.70 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.97 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