NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8490 8.1976 109.7368 41.0000 0.0000 175.7115 4 I 2.3901 8.0418 116.0272 61.1115 38.5312 173.0438 5 R 4.9855 9.2473 122.5286 54.9883 30.5518 177.5029 6 E 4.0920 8.6023 124.1865 56.2267 31.0643 176.9481 7 K 4.5322 8.5477 123.3079 55.5007 31.2569 176.5160 8 I 4.2132 8.4520 125.6949 60.3725 39.9134 174.1372 9 K 5.1310 8.3696 123.7081 55.1409 35.1322 175.3365 10 L 5.2553 9.3756 125.2559 52.9025 43.5050 175.8583 11 V 4.8013 8.6597 123.8649 61.2176 34.1981 174.8003 12 S 3.7000 8.2265 121.7959 57.5751 61.7664 173.9030 13 S 4.2384 8.5345 123.8945 61.3341 63.0203 174.9538 14 A 4.2007 7.4079 122.7907 51.4151 18.7991 177.5578 15 G 3.6386 8.4490 108.0364 48.5784 0.0000 174.6523 16 T 3.9020 7.8553 113.1609 62.4393 67.5881 173.6462 17 G 3.8286 8.4583 113.6043 46.7202 0.0000 173.8954 18 H 4.4388 8.0717 120.7231 56.8361 30.4539 174.0189 19 F 5.1387 7.3420 116.9557 56.5085 40.4328 172.3809 20 Y 4.5969 9.5624 114.9785 56.7290 42.0963 174.6021 21 T 4.9814 8.3185 116.0345 60.9178 70.3657 172.5735 22 T 4.5255 8.4606 121.2161 61.5565 71.7913 172.6343 23 T 4.8282 8.2805 114.8933 62.0235 71.0040 173.0495 24 K 4.1542 7.8546 120.3226 56.0872 36.5567 174.0670 25 N 5.2077 7.6004 119.4778 51.2594 38.5737 174.5939 26 K 4.1242 8.0416 122.7901 59.7820 32.9523 178.2417 27 R 3.9729 8.1805 116.8140 58.8724 29.9799 177.1194 28 T 4.6608 8.4610 103.9958 61.0447 69.8928 175.0050 29 K 5.2711 7.5474 120.3501 54.7621 33.5777 175.0580 30 P 4.2461 0.0000 0.0000 64.6523 32.3898 176.8253 31 E 3.7951 7.6478 117.2384 56.3539 29.2132 175.7686 32 K 4.1152 8.6640 123.8826 56.4588 32.4481 176.5009 33 L 4.0960 9.0659 128.7342 55.7121 42.5233 176.3513 34 E 5.1829 8.6592 124.5456 55.1540 33.0886 175.1898 35 L 4.4096 9.0649 120.2289 54.5038 44.9569 171.6558 36 K 4.2917 8.5409 128.9527 56.1100 33.9492 173.8731 37 K 4.7263 8.7525 124.6751 56.2585 32.1869 178.9609 38 F 5.2837 9.4160 128.0855 57.7205 42.0725 172.9410 39 D 4.7386 8.1689 127.1269 50.3297 41.1117 174.1150 40 P 3.6559 0.0000 0.0000 65.1050 31.6719 178.9412 41 V 3.4841 6.9047 116.2917 65.1745 31.3417 176.5974 42 V 4.1202 7.8829 116.6598 61.6324 32.3922 175.0759 43 R 4.2570 7.4956 116.5289 57.7755 28.3039 175.8137 44 Q 4.7858 7.7399 113.3542 54.6641 33.7329 175.3278 45 H 5.7350 9.1042 120.7209 54.2426 26.5846 175.0025 46 V 4.1804 7.6158 121.7854 60.3796 34.2544 176.8281 47 I 4.1502 8.1917 121.5549 61.7458 38.4787 174.7491 48 Y 4.9304 8.7528 122.0839 56.4245 40.9866 173.8549 49 K 4.9900 8.7162 128.4944 55.6515 36.1109 172.6577 50 E 3.7146 8.9991 124.2691 57.1275 28.3607 174.3496 51 A 4.9118 8.1434 129.3886 51.5250 21.0316 176.2796 52 K 4.0342 8.9668 120.7771 57.9150 32.1136 177.1807 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 G 8.20 3.85 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 0.00 0.00 0.00 4 I 8.04 2.39 1.87 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 1.42 0.64 0.91 0.00 0.00 5 R 9.25 4.99 0.00 1.63 1.97 0.00 3.39 0.00 0.00 3.08 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 6 E 8.60 4.09 0.00 1.93 1.87 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 2.40 2.35 0.00 7 K 8.55 4.53 0.00 1.66 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 I 8.45 4.21 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.99 0.00 0.00 9 K 8.37 5.13 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.30 7.81 10 L 9.38 5.26 0.00 1.85 1.82 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.66 4.80 2.14 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 0.94 0.00 0.00 0.93 0.00 0.00 12 S 8.23 3.70 0.00 3.67 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 13 S 8.53 4.24 0.00 3.85 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 0.00 14 A 7.41 4.20 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 3.64 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 0.00 0.00 0.00 16 T 7.86 3.90 4.22 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 1.35 0.00 0.00 17 G 8.46 3.83 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 0.00 0.00 0.00 18 H 8.07 4.44 0.00 3.13 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.34 5.14 0.00 3.45 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 20 Y 9.56 4.60 0.00 2.45 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.98 4.33 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 1.21 0.00 0.00 22 T 8.46 4.53 4.21 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 1.21 0.00 0.00 23 T 8.28 4.83 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 1.21 0.00 0.00 24 K 7.85 4.15 0.00 1.85 1.64 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.23 7.81 25 N 7.60 5.21 0.00 2.78 2.64 0.00 0.00 6.48 6.75 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 26 K 8.04 4.12 0.00 1.87 2.12 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 R 8.18 3.97 0.00 2.05 2.00 0.00 3.37 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 28 T 8.46 4.66 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 29 K 7.55 5.27 0.00 1.87 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.51 7.81 30 P 0.00 4.25 0.00 2.04 2.12 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 31 E 7.65 3.80 0.00 2.14 2.14 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 2.30 2.45 0.00 32 K 8.66 4.12 0.00 1.65 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 33 L 9.07 4.10 0.00 1.61 1.62 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.66 5.18 0.00 1.86 1.82 0.00 0.00 0.00 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 2.56 0.00 35 L 9.06 4.41 0.00 1.74 1.73 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.54 4.29 0.00 1.99 1.96 0.00 2.07 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.81 7.81 37 K 8.75 4.73 0.00 1.69 0.74 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.17 1.22 7.81 38 F 9.42 5.28 0.00 2.59 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 39 D 8.17 4.74 0.00 2.75 2.41 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 40 P 0.00 3.66 0.00 1.90 2.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 41 V 6.90 3.48 2.22 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 0.68 0.00 0.00 0.82 0.00 0.00 42 V 7.88 4.12 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 0.85 0.00 0.00 0.93 0.00 0.00 43 R 7.50 4.26 0.00 2.10 2.13 0.00 3.25 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 44 Q 7.74 4.79 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.14 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 45 H 9.10 5.73 0.00 3.08 3.41 0.00 5.94 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.62 4.18 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 0.54 0.00 0.00 0.87 0.00 0.00 47 I 8.19 4.15 1.85 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 1.36 0.50 0.95 0.00 0.00 48 Y 8.75 4.93 0.00 2.94 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 49 K 8.72 4.99 0.00 1.85 1.64 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.49 7.81 50 E 9.00 3.71 0.00 2.26 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 2.28 2.64 0.00 51 A 8.14 4.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 4.03 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81