NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 740 M 4.4031 8.3044 118.7907 54.4833 33.0906 173.0301 741 N 4.5729 8.4537 114.0335 52.6955 39.9251 170.1318 742 V 3.8570 8.2568 126.5125 63.2068 32.7086 174.9177 743 T 4.5645 8.9087 116.4160 61.1553 69.7960 173.9799 744 L 4.7699 7.5563 122.1453 52.0622 45.6746 176.6019 745 L 3.8834 8.8538 124.4952 58.7739 41.7514 179.3965 746 I 3.6820 7.7050 117.5328 63.9733 37.9300 177.7634 747 Q 3.9361 7.8013 119.1351 58.7680 28.5116 178.1278 748 E 3.9068 8.0833 119.9125 59.0785 29.6415 178.4851 749 L 3.8854 8.0309 120.3610 58.2072 42.1634 178.9746 750 I 3.2528 7.8769 120.0820 64.3639 36.8637 177.8146 751 H 4.0598 8.1663 118.9347 59.4186 29.6790 176.9496 752 N 4.3067 8.2585 118.1914 56.2425 38.3867 177.1907 753 L 3.8316 8.1805 121.9956 57.9701 42.1977 178.6645 754 F 4.3702 8.5657 121.0160 61.5213 39.3848 177.2203 755 V 3.4367 8.0592 118.0014 65.8696 31.0643 177.7957 756 S 4.1172 7.9804 111.8972 61.5139 62.5036 176.0668 757 V 4.0534 7.9330 120.8233 66.4796 31.1240 177.9454 758 M 3.8819 7.7211 116.9609 57.5071 31.7787 177.8798 759 S 4.4895 7.6241 113.0822 57.6456 63.7778 173.9237 760 H 4.1529 7.5086 122.7090 56.1734 30.0825 174.3458 761 Q 4.4528 8.0340 124.5231 53.7685 32.3410 175.0705 762 D 4.7287 7.7705 119.8551 51.5710 41.2126 176.7812 763 D 4.3911 8.4874 117.6447 56.7549 40.7996 177.0973 764 E 4.2770 8.2923 116.9770 55.8101 29.7810 176.5696 765 G 3.8559 8.0803 107.0354 45.8211 0.0000 175.0506 766 R 4.1610 7.9462 126.3173 56.2269 29.5235 177.8204 *768 Y 4.6701 8.4780 109.3634 57.9360 40.1172 177.3654 769 S 4.3065 7.9567 113.5145 60.9062 63.7733 175.8867 770 D 4.4316 8.3096 121.5637 57.3921 40.6267 178.4987 771 S 4.3188 7.8692 111.8122 60.2487 63.3218 174.6949 772 L 4.5065 7.8980 120.4521 54.5537 41.6579 178.1927 773 A 4.0298 8.1772 126.2418 55.3856 18.3550 179.4011 774 E 4.5930 7.9709 108.8883 55.4964 30.1970 178.9840 775 I 3.8688 7.2707 121.3129 61.5446 36.2906 174.5163 776 P 4.3682 0.0000 0.0000 62.4036 31.9194 177.3878 777 A 4.2852 8.6307 123.3544 54.3238 18.6637 177.4735 778 V 4.4268 7.0367 114.8746 60.8159 34.1126 174.3880 779 D 4.5769 8.7300 127.3592 53.0144 41.4771 175.0091 780 P 4.4524 0.0000 0.0000 65.6066 31.3977 177.3639 781 N 4.2090 8.3077 115.7288 55.2781 39.3376 175.3064 782 F 4.8380 8.2645 117.1645 55.2937 39.4106 173.6854 783 P 4.5176 0.0000 0.0000 64.6234 32.0261 177.9162 784 N 4.6262 8.0076 115.1310 54.0509 39.1863 175.5558 785 K 4.0892 7.4813 117.6753 55.4216 32.5495 175.1914 786 P 4.3301 0.0000 0.0000 62.0867 31.8731 174.2584 787 P 4.6021 0.0000 0.0000 63.2241 31.7931 175.4526 788 L 4.7901 8.3060 125.1481 53.9266 45.4138 174.8254 789 T 4.5859 8.3608 114.5865 59.1418 72.4811 174.7063 790 F 4.7735 8.6813 120.1271 60.9079 38.8993 177.5970 791 D 4.5322 8.3511 118.1964 57.5622 40.8243 178.7993 792 I 3.7910 7.9021 120.2418 64.4630 37.1131 178.6183 793 I 3.9626 8.0603 120.7424 64.2398 36.9282 178.3256 794 R 3.3994 8.4117 119.9552 59.3316 30.0324 178.5659 795 K 3.9385 7.9640 117.8815 59.6219 31.9858 179.0226 796 N 4.1648 8.0003 116.1281 56.1757 38.4566 177.4966 797 V 3.6380 8.1539 119.9318 66.3406 31.4158 178.0278 798 E 4.1684 8.5026 116.6487 58.4167 29.2537 177.9739 799 N 4.7871 7.6529 114.4680 51.9077 39.0878 174.2975 800 N 4.2280 7.8883 115.8919 54.4387 36.7623 175.8748 801 R 3.9552 8.0943 118.1762 58.0348 30.5431 176.6060 802 Y 4.4700 7.6451 115.9857 57.2806 38.2088 175.2035 803 R 4.6393 8.6846 122.5505 55.8041 31.0143 176.5395 804 R 4.7054 7.5505 117.1246 53.4700 35.1323 175.6639 805 L 4.0770 8.6021 124.5936 58.1313 42.1767 178.9128 806 D 4.3037 8.0785 118.8520 56.3787 39.3062 178.2698 807 L 3.8427 7.8482 121.3152 57.6091 42.2375 178.4087 808 F 3.3252 7.7495 120.3175 61.1704 39.2495 176.8178 809 Q 3.2028 8.2350 119.3995 58.8476 28.6486 177.9428 810 E 3.7483 8.0186 119.6986 59.7936 29.6111 179.2242 811 H 4.2023 7.9814 115.9133 59.1683 28.7943 177.8088 812 M 4.1073 7.6034 120.4070 58.5278 31.6832 178.9424 813 F 4.2754 8.3234 118.2531 60.1535 38.9696 177.5879 814 E 3.8516 8.3702 118.7760 59.3886 29.3285 179.5277 815 V 3.3777 7.4344 117.4142 66.0228 31.5626 178.0839 816 L 3.9593 7.9178 118.6763 57.8824 41.3601 179.4518 817 E 3.8850 8.5063 118.9622 59.0000 29.2861 179.4020 818 R 3.7990 7.9922 118.8167 59.3277 29.9503 178.3887 819 A 3.9921 7.7319 119.3545 55.1807 18.1961 179.6008 820 R 3.9458 7.8955 116.5255 59.4234 29.9230 179.4602 821 R 4.0357 8.0323 116.8615 59.5076 30.2532 178.4198 822 M 4.4208 8.0484 115.0157 55.3073 32.4728 175.7409 823 N 5.1932 7.1928 115.3106 50.9760 42.8531 174.4593 824 R 4.2746 8.2614 119.0099 56.0031 30.8378 178.2824 825 T 2.6853 8.9556 112.0000 63.8525 68.6096 174.7358 826 D 4.6530 7.8135 119.6879 53.2713 40.2685 176.8719 827 S 4.5946 7.8417 116.4609 57.4928 65.6636 174.3952 828 E 3.9590 8.7675 124.1763 59.8344 29.3104 179.3442 829 I 3.7485 7.8180 119.0550 64.5144 37.2454 177.5414 830 Y 3.9149 8.0265 120.1596 60.8779 38.7018 178.0870 831 E 4.0692 8.3764 119.4345 59.5571 29.4920 179.0526 832 D 4.3639 8.6682 119.1809 57.2465 40.8552 178.8081 833 A 3.9464 8.1638 121.3772 55.1081 18.3205 179.8270 834 V 3.3374 7.5271 116.7605 65.9487 31.4851 177.8417 835 E 3.7698 8.0769 118.9577 59.2646 29.3773 178.6876 836 L 4.0555 8.0123 119.3151 57.9198 41.7121 179.3970 837 Q 4.0091 8.2447 119.4374 59.2621 28.9734 178.2377 838 Q 4.0620 8.3575 119.3520 58.9876 28.6897 178.6634 839 F 4.1543 8.5638 121.8394 61.0285 39.3896 176.6309 840 F 3.9374 8.7575 120.8657 61.6331 39.1410 177.2152 841 I 3.8901 8.0598 118.9667 64.2415 37.0578 178.2220 842 K 3.8074 7.9193 120.3498 59.7682 31.9416 178.9377 843 I 3.4786 7.3779 120.0600 63.8740 36.8649 178.0865 844 R 3.6545 7.8854 120.1257 59.7742 29.7228 178.2520 845 D 4.3099 8.0673 118.2205 57.2984 40.8070 178.6567 846 E 3.9008 7.9468 118.7344 59.4986 29.4361 179.5045 847 L 3.9842 8.0793 119.2213 57.8738 41.5434 179.4295 848 C 4.1002 8.2365 116.8878 62.4556 28.1118 175.8837 849 K 3.8566 8.2014 121.4034 59.7941 31.5844 178.5323 850 N 4.4633 8.0931 115.2891 55.8389 38.5384 176.6985 851 G 3.8684 8.0966 104.0851 43.5137 0.0000 173.1436 852 E 3.7075 7.6919 118.2819 57.1705 27.6101 175.2014 853 I 4.1832 7.8978 120.4380 60.5606 37.1293 175.5504 854 L 4.5922 8.3739 125.3030 55.9216 43.7188 178.3051 855 L 4.1468 7.8221 116.3450 56.3796 42.2820 177.2716 856 S 4.1631 7.9865 114.5090 57.7242 62.8379 173.0240 857 P 4.3080 0.0000 0.0000 65.4925 30.8620 178.2700 858 A 4.0594 7.7445 119.2514 55.1548 17.9940 178.9617 859 L 4.2999 7.8942 115.3048 56.2581 41.8384 178.9874 860 S 4.5254 8.0054 114.5765 59.6760 63.2303 173.2887 861 Y 4.2971 7.8123 124.7463 56.4796 38.3521 174.7536 862 T 4.5080 7.9125 118.3602 60.3848 72.2099 175.2786 863 T 3.7845 8.2581 117.4871 66.8654 68.2423 176.8772 864 K 3.8286 7.7469 119.6494 59.6350 32.0505 178.9129 865 H 3.9931 7.6480 116.0537 58.6053 28.5265 177.5644 866 L 4.1294 7.3574 123.2650 57.9311 41.8863 178.5562 867 H 4.1675 8.3991 116.4007 59.1134 28.6642 177.4516 868 N 4.3278 8.3386 118.1440 56.5682 38.4214 177.3065 869 D 4.3889 8.3763 120.4352 57.2484 40.8348 179.0717 870 V 3.6432 8.3144 119.2451 66.0279 31.5664 177.8726 871 E 3.9769 8.3999 118.5247 59.2703 29.2447 179.2930 872 K 3.9061 8.2258 119.5887 59.4743 32.2618 178.3889 873 E 4.1071 8.2532 119.5179 59.4103 29.5732 178.8245 874 R 3.8415 8.3821 118.4042 59.3260 29.9408 179.1776 875 K 3.9474 7.8007 116.7294 59.4912 32.1326 178.8973 876 E 4.1176 8.1030 117.6737 59.5595 29.4287 179.4380 877 K 4.1076 8.2846 118.3844 58.7482 32.0480 179.0269 878 L 3.9288 7.7547 121.0344 57.9202 41.5636 177.4807 879 P 4.2853 0.0000 0.0000 65.3775 31.5080 178.6959 880 K 4.0687 7.6764 116.2755 58.4928 31.9886 177.4368 881 E 4.4499 7.8228 116.7521 56.0123 29.9094 176.1256 882 I 3.9199 7.2901 125.2419 61.5952 37.0857 175.7240 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 740 M 8.30 4.40 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 741 N 8.45 4.57 0.00 2.73 2.73 0.00 0.00 6.79 6.83 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 0.00 742 V 8.26 3.86 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 0.88 0.00 0.00 0.93 0.00 0.00 743 T 8.91 4.56 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 1.22 0.00 0.00 744 L 7.56 4.77 0.00 1.65 1.53 0.92 0.51 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 0.00 745 L 8.85 3.88 0.00 1.69 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 746 I 7.70 3.68 1.86 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 1.64 1.30 0.93 0.00 0.00 747 Q 7.80 3.94 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 748 E 8.08 3.91 0.00 2.01 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 0.00 2.36 2.35 0.00 749 L 8.03 3.89 0.00 1.79 1.75 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 750 I 7.88 3.25 1.68 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 1.03 0.38 -0.19 0.00 0.00 751 H 8.17 4.06 0.00 3.24 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 752 N 8.26 4.31 0.00 2.92 2.83 0.00 0.00 6.73 6.31 0.00 0.00 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 L 8.18 3.83 0.00 1.69 1.81 0.45 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 754 F 8.57 4.37 0.00 3.28 3.19 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 0.00 755 V 8.06 3.44 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 0.93 0.00 0.00 0.87 0.00 0.00 756 S 7.98 4.12 0.00 4.05 4.05 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 0.00 757 V 7.93 4.05 2.21 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 1.08 0.00 0.00 1.16 0.00 0.00 758 M 7.72 3.88 0.00 1.71 1.67 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 759 S 7.62 4.49 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 760 H 7.51 4.15 0.00 2.87 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 761 Q 8.03 4.45 0.00 1.88 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 762 D 7.77 4.73 0.00 2.77 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 0.00 0.00 0.00 763 D 8.49 4.39 0.00 2.67 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 0.00 764 E 8.29 4.28 0.00 1.99 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 0.00 2.22 2.25 0.00 765 G 8.08 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 0.00 766 R 7.95 4.16 0.00 1.72 1.81 0.00 3.07 0.00 0.00 3.09 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 *768 Y 8.48 4.67 0.00 3.05 2.98 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 0.00 0.00 0.00 769 S 7.96 4.31 0.00 3.84 3.99 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 0.00 0.00 0.00 770 D 8.31 4.43 0.00 2.72 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 0.00 771 S 7.87 4.32 0.00 4.00 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 0.00 772 L 7.90 4.51 0.00 2.23 1.86 1.03 0.84 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 0.00 773 A 8.18 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 E 7.97 4.59 0.00 1.99 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 2.15 1.87 0.00 775 I 7.27 3.87 1.79 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 1.44 1.15 0.84 0.00 0.00 776 P 0.00 4.37 0.00 2.41 2.18 0.00 3.69 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 2.07 1.97 0.00 777 A 8.63 4.29 1.32 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 0.00 0.00 0.00 778 V 7.04 4.43 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 779 D 8.73 4.58 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 780 P 0.00 4.45 0.00 2.18 2.16 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 781 N 8.31 4.21 0.00 2.67 2.20 0.00 0.00 6.75 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 782 F 8.26 4.84 0.00 3.00 2.93 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 0.00 783 P 0.00 4.52 0.00 2.17 2.16 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 784 N 8.01 4.63 0.00 2.77 2.93 0.00 0.00 6.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 785 K 7.48 4.09 0.00 1.85 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.48 7.81 786 P 0.00 4.33 0.00 2.01 2.00 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 787 P 0.00 4.60 0.00 2.06 2.06 0.00 3.74 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 1.98 1.97 0.00 788 L 8.31 4.79 0.00 1.49 1.45 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 789 T 8.36 4.59 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 1.19 0.00 0.00 790 F 8.68 4.77 0.00 3.22 3.24 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 0.00 791 D 8.35 4.53 0.00 2.77 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 0.00 792 I 7.90 3.79 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.14 0.93 0.00 0.00 793 I 8.06 3.96 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 1.09 0.00 0.00 794 R 8.41 3.40 0.00 2.26 2.23 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 795 K 7.96 3.94 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.81 7.81 796 N 8.00 4.16 0.00 2.94 2.15 0.00 0.00 6.69 6.96 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 0.00 797 V 8.15 3.64 1.90 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 0.99 0.00 0.00 0.72 0.00 0.00 798 E 8.50 4.17 0.00 1.95 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 2.54 2.56 0.00 799 N 7.65 4.79 0.00 2.79 2.78 0.00 0.00 7.07 7.60 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 0.00 800 N 7.89 4.23 0.00 2.83 2.85 0.00 0.00 6.91 7.07 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 0.00 801 R 8.09 3.96 0.00 1.48 1.72 0.00 3.33 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 802 Y 7.65 4.47 0.00 2.91 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 0.00 803 R 8.68 4.64 0.00 1.78 1.92 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 804 R 7.55 4.71 0.00 1.84 1.91 0.00 3.14 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 805 L 8.60 4.08 0.00 1.77 1.68 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 806 D 8.08 4.30 0.00 2.95 2.90 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 0.00 0.00 0.00 0.00 807 L 7.85 3.84 0.00 1.81 1.82 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 808 F 7.75 3.33 0.00 2.45 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 Q 8.24 3.20 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 810 E 8.02 3.75 0.00 2.11 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 2.23 2.46 0.00 811 H 7.98 4.20 0.00 3.25 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 M 7.60 4.11 0.00 1.71 1.43 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 1.81 2.10 0.00 813 F 8.32 4.28 0.00 2.93 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 0.00 814 E 8.37 3.85 0.00 2.10 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 2.50 2.43 0.00 815 V 7.43 3.38 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 0.16 0.00 0.00 0.81 0.00 0.00 816 L 7.92 3.96 0.00 1.62 1.58 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 817 E 8.51 3.89 0.00 1.96 1.86 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 2.12 2.11 0.00 818 R 7.99 3.80 0.00 1.92 2.00 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 819 A 7.73 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 820 R 7.90 3.95 0.00 1.94 2.22 0.00 2.82 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.42 0.00 821 R 8.03 4.04 0.00 2.04 2.06 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 822 M 8.05 4.42 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 823 N 7.19 5.19 0.00 2.97 2.77 0.00 0.00 6.97 7.32 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 0.00 824 R 8.26 4.27 0.00 1.88 1.86 0.00 3.12 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 825 T 8.96 2.69 3.82 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 0.00 0.00 0.65 0.00 0.00 826 D 7.81 4.65 0.00 2.77 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 0.00 827 S 7.84 4.59 0.00 4.13 4.05 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 0.00 828 E 8.77 3.96 0.00 2.10 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 2.53 2.50 0.00 829 I 7.82 3.75 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.46 0.95 0.00 0.00 830 Y 8.03 3.91 0.00 3.23 3.13 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 0.00 831 E 8.38 4.07 0.00 2.14 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 2.64 2.59 0.00 832 D 8.67 4.36 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 A 8.16 3.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 V 7.53 3.34 2.06 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 1.00 0.00 0.00 0.53 0.00 0.00 835 E 8.08 3.77 0.00 1.85 1.57 0.00 0.00 0.00 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 1.68 0.00 836 L 8.01 4.06 0.00 1.91 1.81 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 837 Q 8.24 4.01 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 838 Q 8.36 4.06 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 839 F 8.56 4.15 0.00 3.08 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 0.00 840 F 8.76 3.94 0.00 3.40 3.38 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 0.00 841 I 8.06 3.89 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.21 0.99 0.00 0.00 842 K 7.92 3.81 0.00 1.79 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.43 7.81 843 I 7.38 3.48 1.36 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.29 0.69 0.00 0.00 844 R 7.89 3.65 0.00 1.45 2.03 0.00 3.21 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 845 D 8.07 4.31 0.00 2.83 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 0.00 846 E 7.95 3.90 0.00 2.10 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 2.28 2.48 0.00 847 L 8.08 3.98 0.00 1.71 1.65 0.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 848 C 8.24 4.10 0.00 2.99 3.18 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 0.00 849 K 8.20 3.86 0.00 1.86 1.95 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 850 N 8.09 4.46 0.00 2.86 2.85 0.00 0.00 7.04 7.04 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 0.00 851 G 8.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 E 7.69 3.71 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 853 I 7.90 4.18 1.86 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 1.29 0.49 0.91 0.00 0.00 854 L 8.37 4.59 0.00 1.59 1.67 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 855 L 7.82 4.15 0.00 1.64 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 856 S 7.99 4.16 0.00 3.86 3.76 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 0.00 857 P 0.00 4.31 0.00 2.20 2.11 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 858 A 7.74 4.06 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 859 L 7.89 4.30 0.00 1.76 1.76 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 860 S 8.01 4.53 0.00 4.08 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 0.00 861 Y 7.81 4.30 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 T 7.91 4.51 4.17 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 1.23 0.00 0.00 863 T 8.26 3.78 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 0.99 0.00 0.00 864 K 7.75 3.83 0.00 1.72 1.69 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.10 7.81 865 H 7.65 3.99 0.00 2.47 2.77 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 L 7.36 4.13 0.00 1.82 1.77 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 867 H 8.40 4.17 0.00 3.35 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 N 8.34 4.33 0.00 2.87 2.87 0.00 0.00 7.10 8.49 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 0.00 869 D 8.38 4.39 0.00 2.94 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 0.00 870 V 8.31 3.64 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 1.18 0.00 0.00 0.95 0.00 0.00 871 E 8.40 3.98 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 872 K 8.23 3.91 0.00 1.90 2.03 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.46 7.81 873 E 8.25 4.11 0.00 2.22 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 0.00 2.45 2.44 0.00 874 R 8.38 3.84 0.00 2.04 1.95 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 875 K 7.80 3.95 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 876 E 8.10 4.12 0.00 2.10 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 2.36 2.50 0.00 877 K 8.28 4.11 0.00 1.93 1.91 0.00 1.57 0.00 0.00 1.38 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.43 1.50 7.81 878 L 7.75 3.93 0.00 1.92 1.65 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 879 P 0.00 4.29 0.00 2.20 2.07 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 880 K 7.68 4.07 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.40 7.81 881 E 7.82 4.45 0.00 2.03 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 0.00 2.22 2.38 0.00 882 I 7.29 3.92 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.