NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4199 8.2893 120.3249 54.6128 33.3165 174.3732 8 P 4.3091 0.0000 0.0000 63.2740 31.9363 173.5219 9 Q 4.6173 8.4548 117.3407 54.0328 31.7109 176.7141 10 V 4.2232 8.1427 120.3117 60.9843 33.5180 174.2277 11 N 4.6642 8.7090 126.0461 52.0406 39.5204 173.6663 12 L 4.5058 8.1538 125.4243 52.7238 44.0514 176.1642 13 R 4.4449 8.4731 121.5361 54.2920 31.9293 174.5992 14 W 5.3535 8.3494 121.3821 53.6719 33.4711 173.5585 15 P 4.4399 0.0000 0.0000 62.6806 31.5645 177.6307 16 R 3.9969 9.0808 122.7787 59.7772 29.8881 179.0756 17 E 4.0392 8.2598 116.2259 59.1563 29.3747 179.1536 18 V 3.6731 7.8087 119.4039 65.6363 31.7579 177.7217 19 L 4.1826 8.0393 119.6411 58.4058 42.0248 178.5423 20 D 4.4368 8.6495 119.3134 56.9488 40.5926 178.5639 21 L 3.9734 7.6528 121.2420 58.0652 42.0564 179.0877 22 V 3.6398 8.0375 118.2683 66.0297 31.4761 178.1354 23 R 3.9151 8.1138 117.7119 59.1719 29.9669 178.8680 24 K 3.9077 8.0849 119.2539 59.6597 32.1840 178.9498 25 V 3.5956 8.1410 118.4596 65.8286 31.3305 177.8048 26 A 4.1703 8.3700 120.9032 55.3370 18.3684 179.4921 27 E 3.9192 8.3595 117.0859 59.5796 29.2760 179.4535 28 E 4.0130 8.1615 117.8396 59.3242 29.6537 178.5295 29 N 4.6469 8.2336 114.2535 53.0592 38.9590 175.4100 30 G 3.8614 7.9470 108.3102 46.4005 0.0000 173.2470 31 R 4.7100 8.0625 115.0683 52.8153 33.0620 175.1052 32 S 4.3959 8.2407 112.6646 57.8897 65.0309 175.1729 33 V 3.5803 8.2368 122.0184 66.1591 31.3067 177.5393 34 N 4.2620 8.1811 116.2822 57.1187 38.7309 176.8499 35 S 4.2192 8.0047 115.8585 61.2701 62.9224 176.1817 36 E 3.9724 8.2405 122.1330 59.5041 29.4334 179.0648 37 I 3.8251 8.1505 120.0849 64.3810 37.1152 177.6575 38 Y 4.0697 8.1499 120.4188 60.9604 38.6434 178.2956 39 Q 4.0763 8.7534 119.1762 59.2294 28.9586 179.2180 40 R 3.9281 8.0730 119.0235 59.0945 29.8317 179.3990 41 V 3.4239 7.6584 117.2005 66.2872 31.3557 177.7816 42 M 4.3734 7.9965 118.5230 58.4742 31.6093 178.6569 43 E 4.0990 8.2488 118.9854 59.0766 29.3595 179.3932 44 S 4.0233 7.4778 113.3155 61.2492 62.9179 176.3387 45 F 4.3340 7.3651 120.0643 59.9626 38.7829 175.2433 46 K 4.1812 7.8165 123.4028 56.5890 32.0188 176.1494 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 M 8.29 4.42 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 8 P 0.00 4.31 0.00 2.26 2.08 0.00 3.74 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 2.00 2.06 0.00 9 Q 8.45 4.62 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 10 V 8.14 4.22 2.05 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 0.80 0.00 0.00 0.95 0.00 0.00 11 N 8.71 4.66 0.00 2.66 2.68 0.00 0.00 7.04 7.78 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 12 L 8.15 4.51 0.00 0.93 0.28 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.47 4.44 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 14 W 8.35 5.35 0.00 3.27 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 15 P 0.00 4.44 0.00 2.19 1.99 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 16 R 9.08 4.00 0.00 1.84 2.04 0.00 3.32 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 17 E 8.26 4.04 0.00 2.16 2.23 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 2.36 2.31 0.00 18 V 7.81 3.67 2.25 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 0.86 0.00 0.00 0.86 0.00 0.00 19 L 8.04 4.18 0.00 1.97 1.74 0.92 1.25 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 20 D 8.65 4.44 0.00 2.90 2.72 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 0.00 0.00 0.00 21 L 7.65 3.97 0.00 1.99 1.80 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.04 3.64 2.34 0.00 0.00 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 1.22 0.00 0.00 23 R 8.11 3.92 0.00 2.10 1.98 0.00 3.33 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 K 8.08 3.91 0.00 1.85 2.07 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 V 8.14 3.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.01 0.00 0.00 26 A 8.37 4.17 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.92 0.00 2.21 2.02 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 2.34 2.36 0.00 28 E 8.16 4.01 0.00 2.16 2.02 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 2.35 2.57 0.00 29 N 8.23 4.65 0.00 2.83 2.88 0.00 0.00 7.07 7.18 0.00 0.00 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 G 7.95 3.86 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 0.00 0.00 0.00 31 R 8.06 4.71 0.00 1.86 1.89 0.00 3.10 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 32 S 8.24 4.40 0.00 4.06 4.02 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 33 V 8.24 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.94 0.00 0.00 34 N 8.18 4.26 0.00 2.85 2.80 0.00 0.00 7.21 7.63 0.00 0.00 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 S 8.00 4.22 0.00 3.95 3.92 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 36 E 8.24 3.97 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 37 I 8.15 3.83 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 1.05 0.00 0.00 38 Y 8.15 4.07 0.00 3.16 3.17 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 39 Q 8.75 4.08 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 40 R 8.07 3.93 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 41 V 7.66 3.42 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 0.78 0.00 0.00 0.98 0.00 0.00 42 M 8.00 4.37 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 43 E 8.25 4.10 0.00 2.22 1.98 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 2.34 2.47 0.00 44 S 7.48 4.02 0.00 3.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.37 4.33 0.00 3.10 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 46 K 7.82 4.18 0.00 1.71 1.92 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.45 7.81