NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Y 4.6763 8.1293 118.3162 57.4745 39.4141 174.9053 13 P 4.6006 0.0000 0.0000 59.8922 33.9020 172.7214 14 I 4.4621 8.2695 111.3340 59.6598 40.2215 175.7809 15 F 4.9817 8.5890 124.3474 56.9113 42.4662 174.7570 16 T 3.6153 7.1774 121.7979 66.7974 68.7046 175.9808 17 V 3.4837 7.6601 118.6714 65.4923 31.0266 177.9188 18 R 3.6663 8.1551 116.4733 59.6886 30.8992 177.5902 19 W 4.2973 8.5559 125.1028 61.6738 30.7214 178.4030 20 V 3.2005 8.5154 116.6198 66.4361 31.4144 178.0270 21 A 3.7841 7.5681 119.2417 55.5930 18.1750 179.3760 22 V 3.4218 7.6199 115.1876 66.6750 31.7309 178.3876 23 H 4.3133 7.5886 114.6469 58.3861 28.2329 177.9810 24 T 3.8315 7.9243 117.8111 66.2592 68.4992 176.1839 25 L 4.1680 7.6545 119.8855 57.5166 41.8927 179.2642 26 A 3.9611 8.2201 119.3426 54.7853 18.6187 179.5404 27 V 3.7365 7.8023 117.1388 65.4213 31.6032 176.3552 28 P 4.5941 0.0000 0.0000 66.0192 31.1679 178.2931 29 T 3.9755 7.4767 114.0285 67.2025 68.5620 176.3172 30 I 3.7420 7.5713 119.0461 63.4111 37.0247 178.2809 31 F 4.2741 8.6431 122.8352 61.1412 39.0266 177.2758 32 F 3.8524 8.4207 116.9069 60.6968 38.9900 177.3954 33 L 3.8316 9.0165 119.3334 57.9184 41.1217 180.1867 34 G 3.5901 7.8485 104.1721 47.5502 0.0000 175.4719 35 A 4.2129 8.3547 123.9769 54.9712 18.4518 179.7218 36 I 3.6281 8.8609 119.1318 64.6052 36.9837 178.4859 37 A 3.9569 7.8923 120.0755 55.1036 18.1602 179.2253 38 A 4.1877 7.9715 119.4152 55.2837 18.3875 179.5191 39 M 4.0473 8.0280 117.3304 58.8482 31.9602 179.0687 40 Q 3.3408 7.7591 116.2293 58.2721 29.1236 178.1896 41 F 5.0690 7.4356 114.4029 57.3031 40.2425 176.1005 42 I 3.8492 8.4220 122.0599 61.1128 38.3092 174.5716 43 Q 4.5607 8.2878 125.3501 55.1369 31.2534 175.6751 44 R 4.2367 8.4871 119.5687 56.8302 30.0393 176.3940 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 12 Y 8.13 4.68 0.00 2.94 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 13 P 0.00 4.60 0.00 2.31 2.11 0.00 3.83 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 1.94 2.02 0.00 14 I 8.27 4.46 1.50 0.00 0.00 0.65 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 0.64 0.55 0.00 0.00 15 F 8.59 4.98 0.00 3.02 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 16 T 7.18 3.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 17 V 7.66 3.48 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.07 0.00 0.00 18 R 8.16 3.67 0.00 2.06 2.05 0.00 3.37 0.00 0.00 3.30 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 19 W 8.56 4.30 0.00 3.56 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.20 2.17 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 0.90 0.00 0.00 1.04 0.00 0.00 21 A 7.57 3.78 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.42 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 0.68 0.00 0.00 0.94 0.00 0.00 23 H 7.59 4.31 0.00 2.68 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.92 3.83 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 1.18 0.00 0.00 25 L 7.65 4.17 0.00 1.63 1.64 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 3.96 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 27 V 7.80 3.74 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 1.08 0.00 0.00 0.91 0.00 0.00 28 P 0.00 4.59 0.00 2.26 2.28 0.00 3.94 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 29 T 7.48 3.98 4.27 0.00 0.00 0.00 0.00 0.00 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 30 I 7.57 3.74 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.94 0.00 0.00 31 F 8.64 4.27 0.00 3.07 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 32 F 8.42 3.85 0.00 3.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.02 3.83 0.00 1.72 1.79 0.95 0.83 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 G 7.85 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.21 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 3.63 1.91 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 1.51 0.87 0.91 0.00 0.00 37 A 7.89 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.97 4.19 1.46 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 0.00 0.00 39 M 8.03 4.05 0.00 2.09 2.21 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 2.78 2.62 0.00 40 Q 7.76 3.34 0.00 1.59 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 41 F 7.44 5.07 0.00 3.04 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 42 I 8.42 3.85 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.98 0.00 0.00 43 Q 8.29 4.56 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.89 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 44 R 8.49 4.24 0.00 2.02 1.93 0.00 3.46 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00