NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6837 8.1293 118.3446 57.3405 39.7579 175.5540 2 P 4.4204 0.0000 0.0000 60.6358 29.6015 174.9105 3 A 4.4319 7.4532 121.0512 51.4942 23.2461 178.2114 4 K 5.2512 7.6473 133.5846 57.8425 33.2039 174.9367 5 P 4.5883 0.0000 0.0000 62.3766 29.8058 176.8970 6 E 4.3029 7.7771 127.0985 55.0279 28.3967 176.0182 7 A 4.5626 7.0680 120.6327 50.1437 22.5461 174.5624 8 P 4.3871 0.0000 0.0000 62.6258 31.5629 175.2667 9 G 3.9798 7.9904 121.4392 45.4544 0.0000 172.8018 10 E 4.5030 7.9877 122.1091 54.5505 32.8776 175.1556 11 D 4.8091 8.5952 124.4447 51.0177 39.2957 174.7348 12 A 4.6602 7.8838 127.6871 51.3294 22.4692 175.4922 13 S 4.7221 8.2966 114.7128 55.7301 64.2159 173.1161 14 P 4.3046 0.0000 0.0000 62.7209 32.4585 171.7482 15 E 3.5303 8.7034 123.6071 57.2485 26.4446 173.3421 16 E 3.9921 8.7421 128.9929 56.9917 29.2891 175.9780 17 L 3.6900 7.2256 119.0484 58.1499 42.2014 178.5420 18 S 4.1979 7.8003 112.3076 60.5467 62.5487 175.8944 19 R 3.8814 7.1739 120.8036 59.5712 29.5668 178.0731 20 Y 4.2978 7.3823 116.8574 61.2264 37.9917 177.4425 21 Y 3.8714 8.1221 119.6242 60.7026 38.8320 177.6924 22 A 4.0954 8.5775 120.6859 55.1614 18.8729 179.3280 23 S 4.2122 8.0163 111.1143 61.6005 62.5909 176.1147 24 L 3.9962 8.3590 123.4805 58.1690 41.5455 178.7829 25 R 3.9911 8.4406 118.2456 59.6128 30.2334 177.6026 26 H 4.1509 8.1618 117.9417 59.4113 29.8897 176.3446 27 Y 4.0242 8.1516 120.5196 60.8582 38.7578 177.9914 28 L 4.0662 8.1733 120.6601 57.5913 42.0435 178.5372 29 N 4.2527 8.2704 118.9175 56.0034 38.8719 176.8594 30 L 3.9944 7.5932 118.7801 58.0737 40.6705 178.5480 31 V 3.8331 7.3193 119.2354 65.5584 31.2609 177.7523 32 T 4.0249 7.8929 109.6749 64.9294 68.5341 176.5752 33 R 3.9480 7.5993 120.0690 59.1316 30.1867 177.6335 34 Q 4.1453 8.0927 115.7332 59.0137 29.2767 177.9588 35 R 4.6740 8.2288 114.6858 54.8153 31.0811 174.4323 36 Y 4.4082 7.8672 121.6764 57.5774 38.9332 174.9980 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 Y 8.13 4.68 0.00 3.05 2.92 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 2 P 0.00 4.42 0.00 2.29 2.13 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 3 A 7.45 4.43 1.25 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 0.00 0.00 0.00 4 K 7.65 5.25 0.00 1.77 1.93 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.12 7.81 5 P 0.00 4.59 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 E 7.78 4.30 0.00 1.97 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 2.31 2.36 0.00 7 A 7.07 4.56 1.20 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 0.00 0.00 8 P 0.00 4.39 0.00 2.20 2.09 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 G 7.99 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 0.00 0.00 0.00 10 E 7.99 4.50 0.00 1.91 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 2.24 2.32 0.00 11 D 8.60 4.81 0.00 2.75 2.67 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 12 A 7.88 4.66 1.24 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 0.00 0.00 13 S 8.30 4.72 0.00 3.84 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 14 P 0.00 4.30 0.00 2.17 2.05 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 15 E 8.70 3.53 0.00 2.14 2.12 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 2.14 2.24 0.00 16 E 8.74 3.99 0.00 2.11 1.99 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 2.20 2.22 0.00 17 L 7.23 3.69 0.00 1.82 1.63 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.80 4.20 0.00 3.88 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 19 R 7.17 3.88 0.00 1.74 1.65 0.00 3.27 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 20 Y 7.38 4.30 0.00 3.14 2.91 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 21 Y 8.12 3.87 0.00 3.10 2.91 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 22 A 8.58 4.10 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 23 S 8.02 4.21 0.00 4.12 3.95 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 24 L 8.36 4.00 0.00 1.88 1.59 0.85 0.56 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 25 R 8.44 3.99 0.00 2.09 2.31 0.00 3.37 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 26 H 8.16 4.15 0.00 3.40 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.15 4.02 0.00 3.15 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 28 L 8.17 4.07 0.00 1.88 1.94 0.94 0.62 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 29 N 8.27 4.25 0.00 3.11 2.69 0.00 0.00 7.02 6.12 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 30 L 7.59 3.99 0.00 1.70 1.68 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.32 3.83 1.99 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 0.79 0.00 0.00 0.27 0.00 0.00 32 T 7.89 4.02 4.19 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 0.00 0.00 0.00 1.25 0.00 0.00 33 R 7.60 3.95 0.00 1.75 2.06 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 34 Q 8.09 4.15 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.34 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 35 R 8.23 4.67 0.00 1.74 1.83 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 36 Y 7.87 4.41 0.00 2.90 2.82 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 0.00 0.00 0.00