NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3235 8.1844 120.6306 54.9342 42.1917 175.5331 8 K 4.1249 8.0215 123.1392 54.7517 34.9422 173.1898 9 S 4.6518 8.6705 121.2300 56.8819 67.5506 173.8489 10 F 4.9990 8.0586 119.2561 55.1803 39.5185 173.9813 11 P 4.3798 0.0000 0.0000 64.8373 31.8509 179.1870 12 E 4.0356 8.0337 116.0136 58.2590 30.1131 177.8674 13 V 3.7134 7.3702 112.7351 62.0342 32.2341 176.3052 14 V 3.8172 7.3070 120.4816 64.2472 31.5989 176.0497 15 G 4.0045 9.0977 115.6009 45.0715 0.0000 173.4690 16 K 4.5235 7.2894 118.4021 55.2881 33.4564 177.2480 17 T 4.1870 8.5635 112.7881 61.1826 70.7758 175.8557 18 V 3.3806 8.2175 120.4259 66.3031 31.2182 177.6126 19 D 4.2582 7.9372 117.8794 57.5312 40.8348 178.7863 20 Q 3.9926 7.9349 117.7434 58.8974 28.7506 178.6417 21 A 4.1086 8.3195 122.1000 55.1320 18.4665 179.5381 22 R 4.2255 8.3251 117.5827 59.7798 30.2648 178.3219 23 E 3.9837 8.1080 118.9954 59.3408 29.6015 178.1826 24 Y 4.0270 8.0427 119.1170 60.9021 38.9348 178.1041 25 F 4.3497 8.5604 118.7304 60.7973 38.7651 177.7873 26 T 3.9260 7.8920 114.7176 66.5602 68.3111 176.1759 27 L 3.9542 7.5424 120.6692 58.5469 42.3258 178.3051 28 H 4.1214 7.5919 114.8001 57.3216 30.1172 175.5525 29 Y 5.3259 8.2973 116.9691 55.2306 38.5055 174.7648 30 P 4.4239 0.0000 0.0000 65.2705 31.9610 177.9431 31 Q 4.0941 8.0537 116.0719 57.2795 29.1744 174.8755 32 Y 4.3636 7.4504 116.7705 56.7036 39.1900 174.9089 33 N 4.4598 8.6118 122.5496 52.1382 38.7196 174.0548 34 V 3.6284 7.6149 125.7605 61.2446 32.6635 174.6295 35 Y 4.4700 7.8324 123.9688 56.0191 40.5722 174.7556 36 F 4.6608 8.8481 123.2590 55.8857 40.3314 175.2817 37 L 4.8759 8.3522 125.1163 51.9313 44.9066 174.7540 38 P 4.4018 0.0000 0.0000 62.8932 31.9561 176.2949 39 E 4.3722 8.4915 121.6774 55.7948 30.2481 174.1272 40 G 4.1314 8.4319 115.0821 45.0042 0.0000 172.3787 41 S 4.3213 7.9255 114.3254 56.8963 63.6535 172.4193 42 P 4.4662 0.0000 0.0000 62.0932 32.0222 176.2871 43 V 3.6586 8.1310 120.2446 63.2457 31.9375 175.9129 44 T 4.4402 8.1050 116.7840 60.3194 70.3352 173.6377 45 L 4.1836 8.5160 125.5557 54.8675 41.7676 177.0387 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 7 L 8.18 4.32 0.00 1.63 1.69 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.02 4.12 0.00 1.62 1.40 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.04 7.81 9 S 8.67 4.65 0.00 3.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.00 0.00 3.08 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 11 P 0.00 4.38 0.00 2.19 2.29 0.00 3.64 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 2.04 1.91 0.00 12 E 8.03 4.04 0.00 1.89 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 0.00 1.78 2.10 0.00 13 V 7.37 3.71 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 0.23 0.00 0.00 1.11 0.00 0.00 14 V 7.31 3.82 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 0.82 0.00 0.00 0.97 0.00 0.00 15 G 9.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.29 4.52 0.00 1.95 1.73 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.38 1.28 7.81 17 T 8.56 4.19 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 1.20 0.00 0.00 18 V 8.22 3.38 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 0.53 0.00 0.00 0.88 0.00 0.00 19 D 7.94 4.26 0.00 2.76 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 20 Q 7.93 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 21 A 8.32 4.11 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.23 0.00 1.79 2.08 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 23 E 8.11 3.98 0.00 2.07 2.15 0.00 0.00 0.00 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 2.34 0.00 24 Y 8.04 4.03 0.00 3.19 3.05 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 0.00 0.00 0.00 0.00 25 F 8.56 4.35 0.00 3.21 3.05 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 0.00 0.00 0.00 0.00 26 T 7.89 3.93 4.46 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 1.22 0.00 0.00 27 L 7.54 3.95 0.00 1.55 1.54 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.59 4.12 0.00 2.45 2.33 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.30 5.33 0.00 3.29 3.42 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 30 P 0.00 4.42 0.00 2.17 2.39 0.00 3.77 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 1.98 1.93 0.00 31 Q 8.05 4.09 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.93 0.00 0.00 0.00 0.00 0.00 1.85 2.08 0.00 32 Y 7.45 4.36 0.00 3.12 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.61 4.46 0.00 2.68 2.81 0.00 0.00 6.83 7.49 0.00 0.00 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 V 7.61 3.63 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 35 Y 7.83 4.47 0.00 2.91 2.78 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 0.00 0.00 0.00 36 F 8.85 4.66 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 37 L 8.35 4.88 0.00 1.61 1.56 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.40 0.00 2.20 2.08 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 39 E 8.49 4.37 0.00 1.92 1.89 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 2.20 2.27 0.00 40 G 8.43 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.32 0.00 4.04 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 42 P 0.00 4.47 0.00 2.20 2.09 0.00 3.77 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 1.99 1.95 0.00 43 V 8.13 3.66 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 0.79 0.00 0.00 0.94 0.00 0.00 44 T 8.10 4.44 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 1.29 0.00 0.00 45 L 8.52 4.18 0.00 1.66 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00