NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3634 8.1593 117.3760 63.8165 69.8435 172.6285 4 T 4.5662 8.1702 113.8882 59.8258 72.0895 171.3669 5 T 4.5492 9.1561 119.4819 62.0308 71.6837 174.9987 6 M 4.5609 8.5237 125.9208 53.5057 34.0142 175.8076 7 G 3.8812 8.3852 111.1385 44.6156 0.0000 173.2647 8 V 4.2829 8.0963 122.5261 60.8345 33.5430 174.8210 9 M 4.3238 8.5744 127.3634 54.7879 32.6562 175.6941 10 L 4.7339 8.1720 122.6115 52.1259 45.1703 176.9025 11 D 4.5394 8.5346 123.2913 54.2776 42.8254 177.2691 12 D 4.3630 8.6614 121.9479 57.4599 40.9159 179.0086 13 A 3.9879 7.9589 120.8314 55.5191 18.3450 179.7026 14 T 3.8329 7.8010 113.7418 66.7179 68.6144 176.8237 15 R 3.8485 8.0938 120.7039 59.3558 30.0030 178.2031 16 E 3.9273 8.4139 119.3227 59.0272 29.5477 178.7171 17 R 3.8647 8.0864 118.8226 59.4899 30.1266 178.4701 18 I 3.6928 7.9457 119.7388 64.3019 37.1442 178.3746 19 K 3.9171 8.1516 120.3255 59.5235 32.0650 178.7770 20 S 4.0641 8.4100 113.5677 61.3538 61.9315 176.0321 21 A 3.9800 8.4613 123.6763 54.9850 18.1351 179.4821 22 A 3.9913 8.4123 119.7170 55.6871 18.5012 179.8882 23 T 3.7917 7.9224 114.2110 66.9688 68.2907 176.8669 24 R 3.9803 7.8394 119.0491 58.5438 30.0956 178.1150 25 I 4.1760 6.9852 108.5757 59.7642 38.1802 174.7714 26 D 4.2636 7.8920 117.7307 55.9845 39.6336 172.8032 27 R 4.3985 8.1243 116.0632 53.8126 34.3261 175.1222 28 T 4.6598 7.9233 108.0252 59.4910 72.4957 173.1304 29 P 4.2760 0.0000 0.0000 66.4192 31.3505 178.5926 30 H 4.2413 8.1493 114.1601 58.5303 28.5888 177.2840 31 W 4.0885 8.0395 130.1060 60.5409 30.4824 177.6708 32 L 4.1647 8.4073 120.0774 58.3789 41.5669 179.0507 33 I 3.6393 7.8527 119.6524 64.2461 36.9421 178.6143 34 K 3.3581 7.6929 119.2852 59.1152 31.7849 179.1076 35 Q 3.5897 7.6521 119.8169 58.8761 28.7405 178.2254 36 A 3.9507 8.0869 122.0501 55.2235 18.4569 179.6625 37 I 3.6209 7.4956 118.0761 64.5090 37.1788 178.5388 38 F 4.4603 7.9090 118.7781 60.7913 38.7798 177.5407 39 S 4.0975 8.2059 112.4722 61.6915 62.2223 175.4902 40 Y 4.0950 8.2552 122.1259 60.8675 38.5127 178.1337 41 L 3.9746 8.1607 119.7686 57.8830 41.4796 179.4276 42 E 3.9595 8.0094 117.6695 59.4667 29.4452 179.1164 43 Q 4.0848 7.8395 117.3321 58.6979 28.7912 178.4093 44 L 3.9690 7.4391 119.1671 57.7247 41.7800 177.6264 45 E 4.2325 8.0273 121.4955 56.6038 29.5618 176.6662 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 3 T 8.16 4.36 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 1.22 0.00 0.00 4 T 8.17 4.57 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 5 T 9.16 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 1.20 0.00 0.00 6 M 8.52 4.56 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 7 G 8.39 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 0.00 0.00 0.00 8 V 8.10 4.28 2.06 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 0.85 0.00 0.00 0.90 0.00 0.00 9 M 8.57 4.32 0.00 2.04 1.97 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 2.59 2.55 0.00 10 L 8.17 4.73 0.00 1.56 1.52 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.53 4.54 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.36 0.00 2.68 2.71 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 0.00 0.00 0.00 13 A 7.96 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 3.83 4.37 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 1.19 0.00 0.00 15 R 8.09 3.85 0.00 1.88 2.07 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 16 E 8.41 3.93 0.00 2.29 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 2.30 2.35 0.00 17 R 8.09 3.86 0.00 2.15 1.98 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 18 I 7.95 3.69 2.02 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 1.40 0.62 0.92 0.00 0.00 19 K 8.15 3.92 0.00 2.03 1.79 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 20 S 8.41 4.06 0.00 3.94 4.01 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 21 A 8.46 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.99 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 0.00 0.00 23 T 7.92 3.79 4.41 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 1.19 0.00 0.00 24 R 7.84 3.98 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 25 I 6.99 4.18 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.40 0.91 0.00 0.00 26 D 7.89 4.26 0.00 2.73 2.64 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 27 R 8.12 4.40 0.00 1.23 1.14 0.00 2.21 0.00 0.00 2.62 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 28 T 7.92 4.66 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 1.22 0.00 0.00 29 P 0.00 4.28 0.00 2.08 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 30 H 8.15 4.24 0.00 3.26 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.04 4.09 0.00 3.39 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.16 0.00 2.13 1.95 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.85 3.64 1.82 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 1.47 0.79 0.82 0.00 0.00 34 K 7.69 3.36 0.00 1.43 0.84 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.42 7.81 35 Q 7.65 3.59 0.00 1.24 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.56 2.19 0.00 36 A 8.09 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.62 1.66 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.92 0.00 0.00 38 F 7.91 4.46 0.00 3.11 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 S 8.21 4.10 0.00 3.98 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 40 Y 8.26 4.09 0.00 3.12 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 41 L 8.16 3.97 0.00 1.99 1.73 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.01 3.96 0.00 2.11 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 2.33 2.57 0.00 43 Q 7.84 4.08 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 44 L 7.44 3.97 0.00 1.62 1.60 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.03 4.23 0.00 2.12 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 2.31 2.29 0.00