NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 703 M 4.3727 8.3049 120.3535 54.8190 34.1720 175.4601 704 I 4.1459 7.5490 119.3201 58.2699 38.3678 173.1568 705 P 4.4551 0.0000 0.0000 62.6011 32.7696 176.2036 706 S 5.0721 8.5290 118.2469 58.6184 64.0479 173.2718 707 I 4.7755 8.9486 114.3916 59.6267 41.4564 174.4439 708 T 4.5301 8.4054 120.1200 62.8878 68.2210 174.7437 709 A 3.8538 8.5484 130.2604 54.5674 19.2902 176.9777 710 Y 4.5561 7.6076 114.2602 56.9267 42.5198 174.2229 711 S 4.8410 7.7055 121.0092 58.1905 64.0563 172.9771 712 K 4.2559 9.3529 127.1208 56.4519 35.1880 175.0368 713 N 4.3444 9.8275 120.6098 54.4310 36.2563 175.6378 714 G 3.9352 8.3597 105.4458 44.7896 0.0000 172.9642 715 L 5.0528 7.9987 123.0936 53.1613 44.1848 174.9234 716 K 5.1326 9.2184 127.5127 54.6514 35.6215 174.5570 717 I 4.9931 9.1513 127.6374 59.7152 40.2759 174.1437 718 E 4.9767 9.3431 127.4042 54.6890 32.0938 175.0008 719 F 5.4887 9.3518 122.7643 55.8964 41.7535 174.6769 720 T 4.8706 8.7000 113.8476 59.8147 71.6779 173.1076 721 F 5.5116 8.7751 120.8273 56.0869 42.7211 174.2107 722 E 4.8601 9.3144 120.5668 54.7283 34.2129 174.5749 723 R 4.6218 8.6015 123.3472 55.7213 31.1042 176.0401 724 S 4.3153 8.9381 121.6747 58.7252 62.5179 174.1417 725 N 4.5771 8.8956 123.0028 55.6423 39.0368 176.6338 726 T 4.1246 7.9172 114.0889 65.1011 69.2954 174.4518 727 N 4.8271 8.4805 121.1957 50.9853 40.7416 172.8065 728 P 4.4314 0.0000 0.0000 64.5878 31.7120 177.1051 729 S 4.4376 8.9797 115.7087 59.0932 63.5094 173.2027 730 V 4.8819 8.0035 122.5890 61.5358 33.4393 174.4063 731 T 5.0578 9.0240 124.6383 61.8194 71.4230 173.2502 732 V 4.6533 9.3337 127.3265 61.4933 33.5604 174.2510 733 I 4.6292 9.0517 129.7729 59.9021 39.5183 174.7570 734 T 4.8243 8.7329 124.6863 61.8792 70.3301 173.6987 735 I 4.7800 8.8393 121.8538 59.6533 40.3556 174.8736 736 Q 4.9588 9.2250 123.5996 54.2247 32.1634 173.9414 737 A 4.8924 8.9965 127.4048 50.3701 21.1085 175.8861 738 S 4.9061 9.0880 116.5616 56.4865 67.5782 172.7476 739 N 5.3403 8.3872 118.0750 52.1421 41.3882 173.9861 740 S 5.0570 9.6353 121.1854 57.8210 64.7331 174.1381 741 T 4.3965 8.4083 112.8637 60.7327 70.9892 175.1751 742 E 4.8648 8.8787 119.1866 57.4700 29.9038 176.8630 743 L 4.9825 7.8271 118.6317 52.5431 45.2782 176.4317 744 D 4.7136 8.9685 122.4122 55.0271 42.0933 175.8100 745 M 4.9797 9.0280 122.2395 54.4153 33.7412 175.6873 746 T 4.8745 9.0500 114.6150 59.3265 72.5696 173.7581 747 D 4.4748 8.5110 118.2047 55.2144 38.5959 173.6057 748 F 4.6785 8.6385 120.6136 58.0309 40.6907 175.1039 749 V 4.4319 8.3670 125.5586 61.0876 34.5952 173.5479 750 F 5.1294 9.0135 130.0917 56.9809 40.8483 174.6302 751 Q 4.6849 8.4635 123.7981 54.2342 33.0500 173.9748 752 A 5.0247 8.1883 120.8191 50.7241 22.7356 175.3397 753 A 4.7508 9.1693 120.4290 50.4363 22.9314 175.7928 754 V 4.6187 8.1498 112.3910 58.4460 35.9430 173.8478 755 P 4.4673 0.0000 0.0000 62.2842 31.8999 177.6563 756 K 3.8671 8.8631 119.6677 60.2262 31.9039 178.4673 757 T 4.0368 8.0227 105.9682 62.8602 69.1093 173.8094 758 F 5.1653 8.2972 120.7379 55.9763 42.0052 174.7824 759 Q 4.8601 8.9308 118.6586 54.1557 32.7082 174.3866 760 L 5.2973 8.4832 122.3063 53.4101 45.6378 175.2749 761 Q 4.5403 9.3131 126.2756 54.2583 32.1361 173.2829 762 L 4.9643 8.6331 128.5878 53.5817 43.5425 175.9860 763 L 4.5637 8.7698 127.1159 53.3978 43.4299 176.7987 764 S 4.2920 8.4429 116.6185 57.9041 63.0958 173.0761 765 P 4.7281 0.0000 0.0000 62.1512 32.1051 177.5236 766 S 4.1764 8.8121 115.1804 61.2663 63.0938 173.8260 767 S 4.5254 7.1024 110.0554 58.1831 65.7166 174.4973 768 S 4.9170 8.5723 113.5112 58.2266 64.3495 173.7290 769 V 4.8263 7.8937 120.1891 61.0778 33.9741 175.1677 770 V 4.0639 8.9233 129.0023 60.7547 32.0977 173.3259 771 P 4.9562 0.0000 0.0000 62.2014 32.2547 176.2154 772 A 4.2064 9.3415 123.9204 52.9681 19.7449 177.7267 773 F 3.7036 9.2444 116.2935 58.2428 37.0642 175.2791 774 N 4.2366 8.3966 116.0647 54.6740 36.3148 175.8669 775 T 4.1451 7.8550 106.7375 61.7359 69.3947 174.3240 776 G 3.8934 6.4856 108.7944 46.3153 0.0000 171.5011 777 T 4.8071 8.0188 108.2524 60.2096 72.6050 172.9917 778 I 4.3565 8.2658 122.4947 60.1810 39.2210 175.1530 779 T 5.0937 8.7682 123.2758 61.2005 71.3634 173.2091 780 Q 4.7522 8.7719 125.3124 54.8627 33.3064 172.9580 781 V 4.7360 8.3572 125.1754 61.3152 34.0976 174.1405 782 I 4.9778 8.7681 128.1781 59.4608 40.3599 174.4529 783 K 5.0070 9.3791 126.5782 54.6630 34.8085 175.3742 784 V 4.8490 8.9399 124.3419 61.0431 34.5628 173.6875 785 L 4.9171 9.2540 130.6113 53.6942 43.9085 174.8388 786 N 5.3617 9.0834 125.7437 50.8346 38.2903 172.7387 787 P 4.2591 0.0000 0.0000 64.6360 32.0536 178.2007 788 Q 4.3611 7.8013 116.3396 54.4548 28.9178 175.5099 789 K 4.1282 7.5189 115.5474 57.4126 30.3176 175.1957 790 Q 4.1898 7.1860 115.8712 54.9938 29.6347 176.2269 791 Q 2.0000 7.8567 121.1241 54.9974 29.3565 175.5407 792 L 3.6486 6.8055 127.7144 54.6613 42.8056 175.6198 793 R 5.0519 7.2606 120.3653 55.5802 32.7281 173.5309 794 M 4.9533 9.0851 118.3504 54.4690 36.4852 173.0327 795 R 5.1462 9.2547 125.5384 54.5073 32.7003 174.6664 796 I 4.8241 9.2428 120.0152 58.9232 41.1545 174.3096 797 K 4.8791 8.6364 124.5283 54.6843 35.4973 174.6359 798 L 4.9895 9.0538 127.4208 53.1800 44.7279 175.6173 799 T 5.0563 8.1284 120.0069 61.9936 72.4773 172.6515 800 Y 5.2583 8.2234 122.2898 57.5658 41.9979 172.4249 801 N 5.5022 9.4575 117.4967 52.1393 41.5042 173.9579 802 H 4.8795 9.4022 121.8503 55.6553 34.0278 173.4766 803 K 3.9002 9.8622 123.9344 57.3922 29.6222 176.3787 804 G 3.9928 8.5773 106.4296 45.4112 0.0000 174.3360 805 S 4.6643 7.7978 115.8810 56.4891 64.7749 173.0586 806 A 4.6962 8.2932 125.4985 51.5921 18.7501 176.7245 807 M 4.5615 9.0273 123.0392 53.7565 35.1819 175.0693 808 Q 4.8997 8.0767 121.5678 55.1092 32.5297 172.9293 809 D 4.8862 9.4090 125.2567 52.6236 45.2389 173.6072 810 L 5.2810 8.5990 123.9329 53.1544 44.0693 175.5295 811 A 4.8203 9.1861 123.7057 50.7747 23.1616 174.7153 812 E 4.9835 8.7735 118.6381 54.9216 32.0607 176.3029 813 V 4.1742 9.4143 123.7901 61.2801 33.3345 175.0083 814 N 5.0327 8.7688 124.1021 52.8852 39.3917 174.7903 815 N 5.0866 7.8003 114.6911 52.3560 37.8846 174.6495 816 F 4.3190 8.3857 117.8122 57.5747 39.9193 173.7400 817 P 4.4898 0.0000 0.0000 61.8602 32.0933 175.4034 818 P 2.9700 0.0000 0.0000 65.5089 31.2810 178.5094 819 Q 3.7593 7.6198 115.4694 58.0337 28.6519 177.2548 820 S 4.3134 7.8701 111.7984 59.0439 63.4602 174.9514 821 W 5.2473 7.5793 115.0247 56.3581 30.1340 174.9524 822 Q 4.2338 7.5449 123.4115 56.2604 28.4024 175.2460 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 703 M 8.30 4.37 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 704 I 7.55 4.15 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.72 0.00 0.00 705 P 0.00 4.46 0.00 2.08 2.02 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 706 S 8.53 5.07 0.00 3.82 4.06 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 0.00 707 I 8.95 4.78 1.86 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 1.12 0.00 0.00 708 T 8.41 4.53 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 709 A 8.55 3.85 0.15 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 0.00 0.00 0.00 0.00 0.00 710 Y 7.61 4.56 0.00 3.06 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 0.00 711 S 7.71 4.84 0.00 3.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 712 K 9.35 4.26 0.00 1.09 1.25 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.32 1.27 7.81 713 N 9.83 4.34 0.00 3.09 3.01 0.00 0.00 7.07 7.65 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 0.00 714 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 715 L 8.00 5.05 0.00 1.69 1.94 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 716 K 9.22 5.13 0.00 1.78 1.57 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.46 7.81 717 I 9.15 4.99 1.93 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 1.39 1.05 1.03 0.00 0.00 718 E 9.34 4.98 0.00 1.81 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 2.26 2.39 0.00 719 F 9.35 5.49 0.00 2.55 2.01 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 0.00 720 T 8.70 4.87 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 1.19 0.00 0.00 721 F 8.78 5.51 0.00 2.93 3.02 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 0.00 722 E 9.31 4.86 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 723 R 8.60 4.62 0.00 1.83 1.84 0.00 3.52 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 724 S 8.94 4.32 0.00 3.91 4.10 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 0.00 725 N 8.90 4.58 0.00 2.76 2.86 0.00 0.00 6.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 726 T 7.92 4.12 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 727 N 8.48 4.83 0.00 2.65 2.64 0.00 0.00 7.00 8.56 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 0.00 728 P 0.00 4.43 0.00 2.22 2.16 0.00 3.81 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 1.99 1.99 0.00 729 S 8.98 4.44 0.00 4.04 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 0.00 730 V 8.00 4.88 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 1.01 0.00 0.00 0.96 0.00 0.00 731 T 9.02 5.06 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 732 V 9.33 4.65 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 1.04 0.00 0.00 0.95 0.00 0.00 733 I 9.05 4.63 1.66 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.05 0.00 0.00 734 T 8.73 4.82 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 735 I 8.84 4.78 1.80 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.67 0.26 0.00 0.00 736 Q 9.23 4.96 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 737 A 9.00 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 738 S 9.09 4.91 0.00 3.77 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 0.00 739 N 8.39 5.34 0.00 2.68 2.83 0.00 0.00 6.56 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 0.00 740 S 9.64 5.06 0.00 3.81 4.07 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 0.00 741 T 8.41 4.40 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 742 E 8.88 4.86 0.00 2.11 2.27 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 2.47 2.38 0.00 743 L 7.83 4.98 0.00 1.50 1.53 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 744 D 8.97 4.71 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 745 M 9.03 4.98 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 746 T 9.05 4.87 4.32 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 1.28 0.00 0.00 747 D 8.51 4.47 0.00 2.89 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 0.00 748 F 8.64 4.68 0.00 3.06 3.08 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 0.00 749 V 8.37 4.43 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 750 F 9.01 5.13 0.00 3.29 3.20 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 0.00 751 Q 8.46 4.68 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 752 A 8.19 5.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 753 A 9.17 4.75 1.15 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 0.00 0.00 0.00 0.00 0.00 754 V 8.15 4.62 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 0.64 0.00 0.00 0.95 0.00 0.00 755 P 0.00 4.47 0.00 2.41 2.03 0.00 2.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 756 K 8.86 3.87 0.00 1.77 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 757 T 8.02 4.04 3.91 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 1.22 0.00 0.00 758 F 8.30 5.17 0.00 2.90 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 0.00 759 Q 8.93 4.86 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 760 L 8.48 5.30 0.00 1.61 1.50 1.00 0.68 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 0.00 761 Q 9.31 4.54 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 762 L 8.63 4.96 0.00 1.73 1.59 1.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 763 L 8.77 4.56 0.00 1.62 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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