NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4914 0.0000 0.0000 62.6537 33.2577 174.8148 3 I 4.8697 8.3506 122.3201 59.0078 40.3602 173.0518 4 A 4.7097 8.8265 128.1493 50.1185 21.9710 174.6863 5 Q 4.7590 8.6813 123.8376 54.3219 30.9916 174.4271 6 L 4.5157 9.0677 127.9893 53.3851 43.8936 175.2814 7 Y 5.5352 8.9637 122.0551 55.8226 39.0406 174.8858 8 I 4.6888 8.0940 117.1205 58.8434 41.7347 174.4725 9 I 4.5822 8.1286 123.2411 60.3259 38.0905 175.6545 10 E 4.1043 8.5937 125.8102 57.3545 30.0640 177.4821 11 G 4.0222 8.9998 107.2734 45.6793 0.0000 174.6108 12 R 4.3818 7.6873 118.8614 55.4275 31.2567 176.9333 13 T 4.2028 8.5576 112.2480 61.3934 70.9658 175.5432 14 D 4.3186 8.5314 121.0909 57.5330 40.8612 178.7611 15 E 3.9363 8.0979 119.3399 59.2911 29.7464 178.6814 16 Q 4.0066 8.1065 118.1725 58.9952 28.7007 178.9719 17 K 3.9828 8.2948 119.5853 59.3054 32.0047 179.0599 18 E 3.9152 8.2029 119.8211 59.4519 29.5671 178.9702 19 T 3.8839 7.7800 115.4231 66.3636 68.3979 176.4201 20 L 3.8857 8.0014 122.1728 58.1882 42.2017 178.9296 21 I 3.6450 7.9101 119.9666 64.5712 37.0944 177.9555 22 R 3.8421 8.3865 119.6195 59.8692 29.9893 178.3943 23 Q 3.9919 8.6952 117.6922 58.9964 28.8888 179.1779 24 V 3.6017 8.0828 119.4746 66.1790 31.4939 178.2850 25 S 4.1541 8.1362 114.8666 61.5888 62.5733 176.5832 26 E 3.9338 8.3678 121.1198 59.3360 29.1568 179.1861 27 A 3.9864 7.9157 120.4535 55.3393 18.3854 179.7227 28 M 3.9683 7.9850 116.5125 58.4606 32.1331 178.7599 29 A 4.0089 8.1570 121.0334 55.3305 18.3191 179.3904 30 N 4.3832 8.2205 113.9880 56.1205 38.7686 177.7326 31 S 4.2779 8.1653 116.2575 61.1243 63.1062 175.8111 32 L 4.2737 7.8005 118.3701 54.3139 43.2337 176.7139 33 D 4.3246 7.4619 115.0545 55.1737 38.9948 172.1541 34 A 4.7129 8.0344 125.6490 48.8618 22.1060 175.2042 35 P 4.2311 0.0000 0.0000 62.8686 31.7141 176.8390 36 L 3.9032 8.8713 126.5347 58.1657 41.9419 178.3130 37 E 4.2516 8.1072 113.1640 57.6059 29.7622 177.1478 38 R 4.2969 8.1715 118.4334 56.5368 30.8640 176.5075 39 V 3.9975 7.5292 119.3850 62.8045 32.1327 175.3263 40 R 4.7361 8.6733 126.7777 54.3571 32.8542 175.1249 41 V 4.8449 8.3542 122.2804 61.0044 34.5653 174.3065 42 L 4.7252 9.1053 127.3155 52.9998 44.4236 175.2701 43 I 4.4854 8.3263 124.7254 60.2543 38.9156 175.4293 44 T 4.3785 9.0149 124.9701 61.9449 69.8362 172.8387 45 E 5.0990 8.6190 127.6012 55.0488 31.3912 174.7970 46 M 4.9671 8.6443 121.6676 52.8546 35.4177 172.9276 47 P 4.5820 0.0000 0.0000 62.3449 32.5237 177.5840 48 K 4.0162 8.7028 121.4608 59.2792 32.2196 177.7545 49 N 4.8521 8.1306 113.5616 53.2339 37.5335 174.9400 50 H 4.5795 8.2772 115.2789 55.9917 29.5719 174.5889 51 F 4.3570 7.9586 122.2725 56.1554 39.7965 174.0826 52 G 4.0073 7.5894 117.4873 43.7127 0.0000 171.9787 53 I 4.2136 8.1652 125.3263 60.1123 39.2000 175.8598 54 G 3.7519 10.0011 115.0190 46.4205 0.0000 173.7274 55 G 3.9601 8.7058 106.8486 44.5293 0.0000 173.9578 56 E 4.7113 7.8779 119.1609 53.3612 32.6378 174.0098 57 P 4.6888 0.0000 0.0000 62.3660 32.1656 177.3315 58 A 4.1095 8.9847 125.5870 55.5430 18.3394 179.3780 59 S 4.2324 8.1399 107.4815 58.6751 63.3620 174.3359 60 K 4.2423 7.7867 126.2183 57.2079 32.5848 174.4511 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 2 P 0.00 4.49 0.00 2.13 2.24 0.00 3.59 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 1.97 2.01 0.00 3 I 8.35 4.87 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.92 0.00 0.00 4 A 8.83 4.71 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 5 Q 8.68 4.76 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 1.28 2.00 0.00 6 L 9.07 4.52 0.00 1.50 1.51 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.96 5.54 0.00 2.80 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 8 I 8.09 4.69 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.88 0.00 0.00 9 I 8.13 4.58 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.38 0.91 0.00 0.00 10 E 8.59 4.10 0.00 1.83 1.93 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 2.35 2.44 0.00 11 G 9.00 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 0.00 0.00 0.00 12 R 7.69 4.38 0.00 1.80 2.01 0.00 3.36 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 13 T 8.56 4.20 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 1.20 0.00 0.00 14 D 8.53 4.32 0.00 2.70 2.75 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 15 E 8.10 3.94 0.00 2.02 1.93 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 2.37 2.39 0.00 16 Q 8.11 4.01 0.00 2.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 8.29 3.98 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.63 7.81 18 E 8.20 3.92 0.00 2.11 2.11 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 2.29 2.34 0.00 19 T 7.78 3.88 4.39 0.00 0.00 0.00 0.00 0.00 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 20 L 8.00 3.89 0.00 1.79 1.88 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.91 3.65 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.89 0.00 0.00 22 R 8.39 3.84 0.00 1.99 2.04 0.00 3.24 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 23 Q 8.70 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 24 V 8.08 3.60 2.14 0.00 0.00 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 0.97 0.00 0.00 25 S 8.14 4.15 0.00 4.05 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 26 E 8.37 3.93 0.00 2.02 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 2.32 2.48 0.00 27 A 7.92 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.99 3.97 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.55 0.00 29 A 8.16 4.01 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 30 N 8.22 4.38 0.00 2.70 2.88 0.00 0.00 7.10 7.48 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 31 S 8.17 4.28 0.00 3.85 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 32 L 7.80 4.27 0.00 1.75 1.70 0.92 0.95 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 33 D 7.46 4.32 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.71 1.23 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 0.00 0.00 0.00 35 P 0.00 4.23 0.00 2.22 2.23 0.00 3.74 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 2.07 1.96 0.00 36 L 8.87 3.90 0.00 1.73 1.75 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.11 4.25 0.00 2.11 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 0.00 2.27 2.27 0.00 38 R 8.17 4.30 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 39 V 7.53 4.00 2.20 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 0.72 0.00 0.00 0.96 0.00 0.00 40 R 8.67 4.74 0.00 1.85 1.77 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 41 V 8.35 4.84 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 0.78 0.00 0.00 0.91 0.00 0.00 42 L 9.11 4.73 0.00 1.44 1.45 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.33 4.49 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.87 0.00 0.00 44 T 9.01 4.38 4.08 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 0.00 0.00 0.00 1.30 0.00 0.00 45 E 8.62 5.10 0.00 1.96 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 2.22 2.28 0.00 46 M 8.64 4.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 47 P 0.00 4.58 0.00 2.27 1.97 0.00 3.35 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 48 K 8.70 4.02 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.51 7.81 49 N 8.13 4.85 0.00 2.90 2.94 0.00 0.00 5.98 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.28 4.58 0.00 3.38 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.96 4.36 0.00 3.28 3.07 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 0.00 0.00 0.00 0.00 52 G 7.59 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.17 4.21 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.96 0.00 0.00 54 G 10.00 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 0.00 0.00 0.00 55 G 8.71 3.96 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 0.00 0.00 0.00 56 E 7.88 4.71 0.00 1.98 1.80 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 2.18 2.36 0.00 57 P 0.00 4.69 0.00 2.19 1.98 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 58 A 8.98 4.11 1.60 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 0.00 0.00 59 S 8.14 4.23 0.00 4.01 4.04 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 60 K 7.79 4.24 0.00 1.90 1.79 0.00 1.76 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 1.52 7.81