NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2764 8.0433 122.7532 54.6654 44.1286 175.7329 10 L 4.2436 8.4938 125.0066 53.5387 41.9146 174.6145 11 L 4.7103 8.3457 126.7117 53.0047 44.9249 175.2082 12 E 4.5737 8.7417 124.9745 54.3727 30.6288 175.5680 13 C 4.4477 8.1966 123.9398 60.5750 29.6380 172.8582 14 T 4.8612 7.9663 114.0201 60.5234 70.2979 172.7933 15 E 4.1914 8.0513 127.2998 55.2428 30.6914 175.8811 16 C 4.2276 8.4816 123.6723 60.8290 28.8849 173.8754 17 K 4.1375 8.6383 121.6410 56.8763 30.1271 175.6512 18 R 4.1730 7.2112 119.0229 55.7570 34.1957 177.2478 19 R 4.2151 7.9890 120.5843 57.1076 30.3835 174.0781 20 N 4.2217 7.8105 119.8313 53.5205 42.4990 173.2926 21 Y 5.6924 8.6310 124.5660 57.1991 40.7470 174.2132 22 A 4.5759 8.1269 118.1771 51.5602 22.5441 176.1320 23 T 4.2498 8.4177 111.1432 61.8833 69.6269 173.5619 24 E 4.6190 8.4328 123.7734 55.8076 34.3838 174.8569 25 K 4.6457 8.0879 120.7113 56.7680 33.3615 174.5041 26 N 4.6965 8.7288 126.3941 53.2755 40.1226 173.7651 27 K 4.7628 8.2328 120.3564 53.9826 36.3292 177.2348 28 R 4.1197 8.8011 120.5456 57.7350 28.8459 178.2997 29 N 4.4578 9.3937 116.1629 55.8192 39.6654 174.0979 30 T 3.8619 7.8459 113.6939 63.1279 68.9327 170.9009 31 P 4.2828 0.0000 0.0000 62.8633 30.3673 174.5129 32 N 4.4871 7.7471 114.3248 53.1977 40.1849 173.4124 33 K 4.4123 8.5834 122.8951 56.3872 33.8881 177.2258 34 L 5.0261 7.5598 116.2737 52.5706 43.2673 175.0022 35 E 4.7695 8.8404 122.0796 54.4000 32.3684 175.4393 36 L 5.4822 7.9662 124.3775 54.0912 40.7266 176.6628 37 R 4.2314 7.8228 117.4421 56.4795 31.2988 176.9663 38 K 4.6724 8.3579 122.4532 56.6167 34.0973 175.8633 39 Y 4.2401 7.6445 123.7759 57.0155 42.0318 175.7816 40 C 4.3177 8.2467 116.6044 57.9838 32.3097 171.6284 41 P 4.6990 0.0000 0.0000 61.7477 31.8235 176.8006 42 W 5.1618 8.5989 128.7014 60.6373 30.9911 176.0053 43 C 4.1024 8.1124 115.4858 60.9711 28.5259 175.4328 44 R 3.5895 8.3996 122.9544 57.2498 28.7819 175.0771 45 K 4.4225 8.4961 116.3939 57.4917 36.1272 171.9635 46 H 4.1006 9.2022 126.9291 55.8657 27.5221 174.2607 47 T 4.6984 8.1677 112.5890 59.7649 71.3797 173.9453 48 V 3.8135 8.3868 117.2285 62.4437 32.7460 175.1245 49 H 4.8117 8.4407 118.3354 54.2282 31.3788 173.9583 50 R 4.7748 8.4307 122.2093 55.6567 32.6736 178.9608 51 E 4.0242 9.0396 124.5767 56.4061 28.3568 176.9477 52 V 3.6656 9.1567 116.5138 63.3855 32.5861 170.9469 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 9 L 8.04 4.28 0.00 1.74 1.83 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.49 4.24 0.00 1.63 1.59 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.35 4.71 0.00 1.64 1.49 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.74 4.57 0.00 1.87 1.85 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 2.15 2.20 0.00 13 C 8.20 4.45 0.00 2.84 2.83 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 14 T 7.97 4.86 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 1.32 0.00 0.00 15 E 8.05 4.19 0.00 2.02 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 16 C 8.48 4.23 0.00 2.99 2.80 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 17 K 8.64 4.14 0.00 1.86 1.86 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.37 7.81 18 R 7.21 4.17 0.00 1.81 1.65 0.00 3.52 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 19 R 7.99 4.22 0.00 1.70 1.85 0.00 3.07 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 N 7.81 4.22 0.00 2.73 2.75 0.00 0.00 7.03 7.56 0.00 0.00 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 8.63 5.69 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.13 4.58 0.78 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 0.00 0.00 23 T 8.42 4.25 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 1.20 0.00 0.00 24 E 8.43 4.62 0.00 2.08 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 2.10 2.16 0.00 25 K 8.09 4.65 0.00 1.71 1.68 0.00 1.59 0.00 0.00 0.91 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 26 N 8.73 4.70 0.00 2.75 2.70 0.00 0.00 7.09 6.68 0.00 0.00 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 K 8.23 4.76 0.00 1.75 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.32 7.81 28 R 8.80 4.12 0.00 1.74 1.34 0.00 3.28 0.00 0.00 3.15 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 29 N 9.39 4.46 0.00 2.72 2.83 0.00 0.00 6.85 7.70 0.00 0.00 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 T 7.85 3.86 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 31 P 0.00 4.28 0.00 2.03 2.06 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 32 N 7.75 4.49 0.00 2.62 2.78 0.00 0.00 7.18 6.68 0.00 0.00 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 K 8.58 4.41 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.35 7.81 34 L 7.56 5.03 0.00 1.68 1.58 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.84 4.77 0.00 1.90 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 2.17 2.25 0.00 36 L 7.97 5.48 0.00 1.74 1.65 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.82 4.23 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 38 K 8.36 4.67 0.00 1.79 1.81 0.00 1.97 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.52 7.81 39 Y 7.64 4.24 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 4.32 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.36 2.15 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 42 W 8.60 5.16 0.00 3.20 3.06 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 0.00 0.00 0.00 0.00 43 C 8.11 4.10 0.00 3.03 2.85 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 44 R 8.40 3.59 0.00 1.91 1.92 0.00 3.25 0.00 0.00 3.21 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 45 K 8.50 4.42 0.00 1.74 1.75 0.00 2.02 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.44 7.81 46 H 9.20 4.10 0.00 3.33 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.17 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 V 8.39 3.81 2.10 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 0.72 0.00 0.00 0.93 0.00 0.00 49 H 8.44 4.81 0.00 3.40 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 4.77 0.00 1.73 1.85 0.00 3.30 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 51 E 9.04 4.02 0.00 2.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 52 V 9.16 3.67 2.10 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 0.80 0.00 0.00 0.94 0.00 0.00