NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4984 0.0000 0.0000 62.6625 33.2348 174.8724 3 I 4.9028 8.3537 122.6253 58.9527 40.5410 173.0880 4 A 4.7596 8.8896 127.8558 50.0304 22.4656 174.3210 5 Q 4.7879 8.6835 122.8700 54.1870 31.3279 174.3745 6 L 4.5502 8.7485 127.1381 53.1882 44.1923 175.0867 7 Y 5.6404 8.9148 122.0256 55.7613 39.1118 174.9919 8 I 4.6788 8.0974 117.4079 58.8291 41.4607 174.6864 9 I 4.6201 8.3692 124.0032 60.7563 38.0362 175.1966 10 E 3.8155 8.8257 125.8573 56.6270 30.4016 177.7697 11 G 4.0613 9.0679 108.6637 45.5022 0.0000 174.1813 12 R 4.4852 7.5907 118.5481 55.0270 31.6429 176.8024 13 T 4.1963 8.2489 111.8743 61.5194 70.9327 175.5008 14 D 4.3575 8.4616 120.3449 57.2189 40.7953 178.5925 15 E 3.8933 8.0870 119.4184 59.4422 29.7852 178.6940 16 Q 3.9924 8.0306 118.0398 58.9712 28.7698 178.9961 17 K 3.9534 7.9101 118.9745 59.4577 32.0670 179.0000 18 E 3.9385 8.2232 119.5844 59.4964 29.5116 179.0574 19 T 3.8504 7.8860 115.8193 66.4020 68.5271 176.3006 20 L 3.9259 7.9187 122.2335 58.3432 42.0716 179.1693 21 I 3.6834 7.8424 119.5854 64.2160 36.9352 178.3100 22 R 3.8545 7.9461 119.4601 59.8068 30.0118 178.7145 23 Q 3.9816 8.4844 118.1820 58.7515 28.6571 178.9519 24 V 3.5988 7.9599 119.4545 65.9978 31.5302 178.2189 25 S 4.1014 8.1876 115.0176 61.5786 62.6899 176.3228 26 E 3.8760 8.5435 122.0162 59.2919 29.4212 178.6543 27 A 4.0245 8.0523 120.7445 55.4349 18.3066 179.6453 28 M 3.9801 8.1237 116.9525 58.3294 32.0306 178.5595 29 A 4.1462 8.0242 122.4117 54.6738 18.0603 179.5131 30 N 4.2697 8.1730 114.6086 56.7796 38.4671 178.0481 31 S 3.9378 8.0432 115.0415 60.8009 63.0261 175.7839 32 L 4.3251 8.0045 119.3969 53.5534 42.5221 175.5187 33 D 4.3189 7.6686 116.7109 55.5645 40.0225 173.1619 34 A 4.7666 8.0352 120.8774 49.1084 22.0557 174.6580 35 P 4.1806 0.0000 0.0000 62.8975 32.2937 177.2879 36 L 3.9518 8.7376 124.8146 58.0084 42.2023 178.6672 37 E 4.0989 8.1226 115.0708 58.6357 29.5411 177.8834 38 R 4.1475 7.9163 117.9223 57.7890 30.6398 176.9806 39 V 4.0240 7.5092 118.4067 62.8366 32.1680 175.5944 40 R 4.7802 8.6697 126.1114 54.3709 33.3987 174.9658 41 V 4.7893 8.2599 121.4207 61.1277 34.7187 174.2596 42 L 4.6736 8.7575 127.7048 53.0942 43.9790 175.2981 43 I 4.5881 8.3021 124.9472 60.0877 39.1302 175.5998 44 T 4.3921 9.2268 124.8366 61.8367 70.1941 172.7972 45 E 5.0396 8.6440 127.5826 55.4363 31.3112 174.9823 46 M 5.0739 8.7486 121.6541 52.7155 35.3412 172.9002 47 P 4.7238 0.0000 0.0000 62.4984 32.1985 177.2511 48 K 3.9691 8.6599 120.6827 59.4530 32.2411 177.7601 49 N 4.8388 8.0891 113.3611 53.4778 37.4549 174.9343 50 H 4.6933 8.3629 115.3125 56.1041 28.9927 174.5270 51 F 4.9565 8.1455 123.8718 56.1071 40.6598 174.1630 52 G 3.6770 7.5970 116.5095 43.4021 0.0000 172.2748 53 I 4.1300 7.9973 123.7731 59.7246 39.1365 175.9680 54 G 3.7865 9.6749 116.1460 46.4982 0.0000 173.7801 55 G 3.9250 8.5552 107.1610 44.7122 0.0000 173.8119 56 E 4.6740 7.4417 119.4738 53.3704 31.9282 173.8454 57 P 4.5047 0.0000 0.0000 62.2556 32.0371 177.2099 58 A 4.1589 9.5342 127.1674 55.5801 18.2941 178.8330 59 S 4.2505 7.9871 107.2113 58.5569 63.5270 174.3411 60 K 4.2512 9.0702 126.9678 57.0572 32.2495 175.5604 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 P 0.00 4.50 0.00 2.13 2.24 0.00 3.59 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 1.96 2.01 0.00 3 I 8.35 4.90 1.86 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 1.27 0.79 0.89 0.00 0.00 4 A 8.89 4.76 1.18 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 0.00 0.00 0.00 5 Q 8.68 4.79 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.65 0.00 0.00 0.00 0.00 0.00 1.20 1.94 0.00 6 L 8.75 4.55 0.00 1.48 1.48 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.91 5.64 0.00 2.74 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 8 I 8.10 4.68 1.85 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 1.32 0.82 0.88 0.00 0.00 9 I 8.37 4.62 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.96 0.00 0.00 10 E 8.83 3.82 0.00 1.80 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 2.35 2.33 0.00 11 G 9.07 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 0.00 0.00 0.00 12 R 7.59 4.49 0.00 1.78 1.85 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 13 T 8.25 4.20 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 14 D 8.46 4.36 0.00 2.70 2.75 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 15 E 8.09 3.89 0.00 2.02 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 2.37 2.40 0.00 16 Q 8.03 3.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 7.91 3.95 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 18 E 8.22 3.94 0.00 2.28 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 2.30 2.34 0.00 19 T 7.89 3.85 4.40 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 1.20 0.00 0.00 20 L 7.92 3.93 0.00 1.86 1.85 0.90 0.90 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 21 I 7.84 3.68 1.85 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 1.38 0.51 0.89 0.00 0.00 22 R 7.95 3.85 0.00 1.98 2.11 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 23 Q 8.48 3.98 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 24 V 7.96 3.60 2.19 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 1.01 0.00 0.00 0.92 0.00 0.00 25 S 8.19 4.10 0.00 4.03 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 26 E 8.54 3.88 0.00 2.16 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 2.30 2.32 0.00 27 A 8.05 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.12 3.98 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 29 A 8.02 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.27 0.00 2.83 2.87 0.00 0.00 7.12 6.84 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 31 S 8.04 3.94 0.00 3.92 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 32 L 8.00 4.33 0.00 1.74 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.67 4.32 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.77 1.21 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 35 P 0.00 4.18 0.00 2.18 2.02 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 36 L 8.74 3.95 0.00 1.71 1.66 0.91 0.90 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 37 E 8.12 4.10 0.00 2.11 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 0.00 2.27 2.28 0.00 38 R 7.92 4.15 0.00 1.97 2.02 0.00 3.32 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 39 V 7.51 4.02 2.19 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 0.72 0.00 0.00 0.92 0.00 0.00 40 R 8.67 4.78 0.00 1.76 1.75 0.00 3.27 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 41 V 8.26 4.79 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 0.77 0.00 0.00 0.91 0.00 0.00 42 L 8.76 4.67 0.00 1.49 1.46 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.30 4.59 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.86 0.00 0.00 44 T 9.23 4.39 3.96 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 1.31 0.00 0.00 45 E 8.64 5.04 0.00 1.97 1.83 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 2.25 2.29 0.00 46 M 8.75 5.07 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 47 P 0.00 4.72 0.00 2.37 2.16 0.00 3.24 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 1.59 1.94 0.00 48 K 8.66 3.97 0.00 1.84 1.88 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.51 7.81 49 N 8.09 4.84 0.00 2.89 2.92 0.00 0.00 6.00 7.90 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 50 H 8.36 4.69 0.00 3.29 3.47 0.00 5.80 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.15 4.96 0.00 3.09 2.97 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 0.00 0.00 0.00 52 G 7.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.13 1.75 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.21 0.91 0.00 0.00 54 G 9.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 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 0.00 0.00 0.00 56 E 7.44 4.67 0.00 2.02 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 0.00 2.17 2.35 0.00 57 P 0.00 4.50 0.00 2.16 1.95 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 58 A 9.53 4.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.99 4.25 0.00 4.00 4.02 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 60 K 9.07 4.25 0.00 1.95 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.52 7.81