NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4150 8.3349 115.4105 57.6910 63.1829 171.8833 4 V 3.2095 7.7474 119.2677 58.2260 32.1878 174.2402 5 P 4.3688 0.0000 0.0000 61.9832 32.6724 174.1773 6 P 4.6547 0.0000 0.0000 62.0897 31.9283 177.5054 7 G 4.0395 8.4976 110.6428 45.2855 0.0000 172.1196 8 D 5.2493 8.5983 118.2886 53.3662 42.8077 176.1230 9 I 4.5535 8.1650 114.5748 59.1796 40.8580 174.2980 10 Q 4.7623 8.7362 120.7029 54.1949 31.8406 175.1229 11 T 5.0986 8.3708 111.9536 60.0343 72.9009 172.9642 12 Q 4.6351 8.6914 120.8533 53.6785 32.3556 173.5216 13 P 4.6749 0.0000 0.0000 62.2769 32.0697 177.1573 14 G 3.8426 8.4913 109.1921 47.2326 0.0000 174.5716 15 T 4.7030 7.4190 106.8624 61.2459 70.7200 173.4240 16 K 4.3351 7.4585 118.8763 56.4419 35.2675 173.9345 17 I 4.4528 7.8988 119.7597 59.1404 41.1052 173.7532 18 V 4.4106 8.3004 128.9328 61.2998 33.1384 174.4838 19 F 4.8946 8.5801 127.2957 56.1265 40.7949 174.6477 20 N 5.3209 9.1756 121.7843 52.1004 39.5777 175.2178 21 A 2.8251 8.5247 125.8731 50.2836 19.4177 175.3446 22 P 3.9578 0.0000 0.0000 62.7118 32.2719 176.2621 23 Y 4.8188 7.9760 118.6928 58.2945 38.5619 176.5005 24 D 4.9818 8.1207 116.1809 52.9240 39.9464 174.5524 25 D 4.8207 7.5094 117.4474 52.9712 44.7746 174.1095 26 K 4.5801 8.6342 123.7653 56.2888 33.1635 175.4316 27 H 5.0160 9.1639 124.3141 54.2911 31.8129 173.1556 28 T 4.7959 8.2315 118.9440 62.1982 70.3517 173.4363 29 Y 4.7056 9.2618 124.3890 56.5659 41.5303 174.3089 30 H 5.5469 8.8679 116.3560 54.2884 32.5904 173.3908 31 I 4.7645 8.7767 122.1962 59.4063 41.0788 174.1810 32 K 4.7720 9.3373 128.6017 55.0112 33.9782 174.9947 33 V 4.6786 8.6440 127.9079 61.1158 33.8697 174.0793 34 I 4.7002 8.5588 128.9620 59.5536 40.2611 174.6403 35 N 4.7590 8.8347 126.3525 52.7875 38.0883 175.2990 36 S 4.3844 8.3277 120.5247 59.8494 63.6984 174.7386 37 S 4.4080 8.0343 114.5210 57.5928 63.8373 173.7447 38 A 4.4041 8.3714 121.1753 52.6069 18.8259 176.9861 39 R 4.8166 7.3026 114.3297 53.6223 33.9393 175.7392 40 R 4.4066 8.4931 121.7309 56.6329 31.3431 175.2813 41 I 5.1708 8.8835 118.5876 59.1810 41.6051 174.1822 42 G 5.0058 9.2034 111.0059 44.9977 0.0000 171.9395 43 Y 6.0435 9.1250 120.4033 55.2710 42.1333 174.2583 44 G 4.4805 10.1938 107.6771 44.6491 0.0000 171.3468 45 I 5.3263 8.7300 123.4833 59.3564 39.7125 175.3593 46 K 4.9440 9.2678 124.5794 54.9325 36.5469 175.3336 47 T 5.2706 8.3862 111.6552 60.1636 71.8383 173.8216 48 T 4.1906 8.2959 111.7546 62.8401 69.7346 175.2031 49 N 4.8768 8.6661 121.9016 52.1959 39.7824 174.0376 50 M 3.9781 8.4657 123.1987 57.9154 32.7072 178.3356 51 K 4.0818 8.1707 116.9515 59.3354 32.6653 177.9234 52 R 4.1579 7.9365 117.0900 57.5033 30.5699 175.6244 53 L 5.3714 8.4978 117.4657 53.0064 44.0802 176.7145 54 G 4.2892 8.8185 108.5308 44.6798 0.0000 171.5595 55 V 5.1443 8.3764 122.6842 61.0962 34.8759 174.4269 56 D 4.8249 8.7661 126.2560 52.4367 44.6512 172.7785 57 P 4.8739 0.0000 0.0000 62.3514 32.1921 174.6118 58 P 4.7431 0.0000 0.0000 63.9655 32.5683 174.7973 59 C 4.3630 7.2502 112.8839 57.9910 31.8693 173.8231 60 G 3.7535 5.8206 105.0375 46.1446 0.0000 172.0655 61 V 5.2340 8.6123 118.4885 61.2382 35.2535 176.1062 62 L 4.8280 9.1446 125.7734 53.1150 45.5789 176.1939 63 D 4.8708 9.7391 124.6900 52.9059 42.5401 174.3156 64 P 4.4197 0.0000 0.0000 64.3766 31.5652 177.2364 65 K 3.9061 8.7792 120.3005 56.7841 30.8491 175.5039 66 E 4.4547 8.0473 120.6374 55.5931 30.9562 175.0384 67 A 5.4128 8.4929 125.9319 50.0895 22.4509 175.7123 68 V 4.4630 8.7547 118.6509 59.7775 35.3160 174.2473 69 L 4.9771 8.5829 124.9108 53.6324 43.4128 175.3186 70 L 4.8476 8.9957 127.0944 53.4875 44.2857 175.5750 71 A 4.8302 8.9143 124.4918 50.3220 21.3704 175.8172 72 V 4.5806 8.9465 124.5182 61.6250 33.1935 174.8064 73 S 5.1094 9.1736 124.0573 57.2767 65.6822 173.1432 74 C 4.7644 8.8619 122.0300 57.3911 33.6942 172.8549 75 D 4.9469 8.8009 126.2193 54.0621 41.6949 175.8593 76 A 4.7653 8.6237 123.5886 52.6330 19.0795 176.5333 77 F 4.7005 8.9570 114.0092 56.6651 41.5837 174.4984 78 A 4.3657 8.5213 123.2925 50.1234 17.6795 177.3184 79 F 3.6147 8.2286 124.1491 61.4454 39.5776 177.8260 80 G 3.8379 8.2792 107.1849 47.7563 0.0000 173.4667 81 Q 4.4336 7.8067 115.8507 55.2096 30.3918 174.3640 82 E 4.6200 7.4043 116.8204 54.1350 32.3929 174.6521 83 D 4.5841 8.2814 119.8064 54.2781 41.4322 176.8115 84 T 4.5062 8.1387 111.3317 61.1903 70.0179 173.6518 85 N 4.8714 8.1828 117.7870 53.3808 37.5859 174.6743 86 N 5.0662 7.8915 115.3078 53.4205 40.1321 173.3992 87 D 5.1423 8.1078 117.5222 53.1149 43.2677 175.8434 88 R 4.9344 9.2396 117.5290 55.1764 33.5134 173.5217 89 I 4.6826 8.7355 121.5287 59.9857 39.9314 174.7307 90 T 4.9737 9.2634 123.1944 61.7788 71.6017 173.0974 91 V 4.7238 8.8962 127.1215 61.6604 33.1827 174.2432 92 E 5.5496 9.5972 128.4524 54.6990 32.5454 175.1860 93 W 6.1084 8.8077 118.9738 56.3114 32.1342 173.1298 94 T 4.9681 9.3700 114.6562 60.4021 70.8701 172.6275 95 N 4.8777 8.7788 123.3276 53.6880 39.8248 174.1669 96 T 3.3567 8.1371 119.0858 60.5075 67.8989 172.7241 97 P 4.2421 0.0000 0.0000 62.2946 32.0471 175.5367 98 D 4.1004 8.7196 118.9372 56.1362 41.5053 177.7473 99 G 3.9695 8.6528 112.0024 46.7025 0.0000 171.8508 100 A 4.8106 7.3304 118.9782 49.9575 22.7087 176.2786 101 A 4.2806 8.4707 122.7189 51.9485 19.6863 177.9797 102 K 4.4459 8.2947 120.9040 55.1948 31.3487 177.6036 103 Q 4.4082 7.6895 119.4296 54.2930 32.0609 173.5771 104 F 3.4572 8.9218 128.0615 58.2694 40.0235 174.1705 105 R 3.9182 5.8400 125.6194 53.6295 32.7861 176.7597 106 R 3.6400 8.1289 121.6889 58.8459 30.6477 178.4664 107 E 3.9090 7.7622 118.1616 58.9565 29.2814 178.4307 108 W 4.7524 7.5059 118.2778 59.4283 29.1476 177.3886 109 F 4.9896 7.9366 114.5047 57.9556 38.8680 176.1558 110 Q 4.4818 8.4855 117.8222 56.6861 30.4278 176.3374 111 G 3.9238 7.9116 105.6582 44.1464 0.0000 172.4794 112 D 4.2897 8.5404 118.3574 53.6641 41.0139 177.9101 113 G 3.9891 7.5377 110.3144 45.5053 0.0000 170.4745 114 M 4.5712 8.0400 118.8245 53.2514 34.1581 175.3838 115 V 4.2306 8.1222 123.0665 60.9344 33.7389 174.5086 116 R 4.3964 8.2629 128.2664 54.3541 32.6648 174.7002 117 R 5.1686 7.7950 118.9497 54.3883 33.0267 174.0587 118 K 4.6932 9.5329 122.2573 54.9555 35.1361 174.7404 119 N 5.1080 8.9296 124.7255 52.6473 40.3720 175.3914 120 L 4.6764 8.7886 122.0505 51.6778 43.4104 173.7854 121 P 4.6293 0.0000 0.0000 62.6949 32.9031 174.8235 122 I 4.2203 8.3604 124.2669 59.8648 38.5257 174.8375 123 E 4.5209 8.4034 127.4838 54.4622 32.5072 173.8622 124 Y 5.0580 8.6847 124.1419 56.7621 39.8377 174.9687 125 N 4.9514 9.3572 124.4423 51.1171 40.0577 172.8734 126 P 4.2198 0.0000 0.0000 62.5585 31.6605 176.6178 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 3 S 8.33 4.42 0.00 3.98 3.98 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 4 V 7.75 3.21 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 0.70 0.00 0.00 0.92 0.00 0.00 5 P 0.00 4.37 0.00 2.15 2.02 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 6 P 0.00 4.65 0.00 1.90 2.05 0.00 3.61 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.03 0.00 7 G 8.50 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 0.00 0.00 0.00 8 D 8.60 5.25 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 9 I 8.17 4.55 1.50 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.25 -0.12 0.00 0.00 10 Q 8.74 4.76 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 11 T 8.37 5.10 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 1.08 0.00 0.00 12 Q 8.69 4.64 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 13 P 0.00 4.67 0.00 2.20 1.97 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 14 G 8.49 3.84 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 0.00 15 T 7.42 4.70 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 16 K 7.46 4.34 0.00 1.72 1.72 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.26 7.81 17 I 7.90 4.45 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.61 0.55 0.00 0.00 18 V 8.30 4.41 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 0.86 0.00 0.00 0.86 0.00 0.00 19 F 8.58 4.89 0.00 2.95 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 20 N 9.18 5.32 0.00 2.79 2.79 0.00 0.00 7.03 7.40 0.00 0.00 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 A 8.52 2.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.96 0.00 2.29 1.95 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 23 Y 7.98 4.82 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.12 4.98 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.51 4.82 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.58 0.00 1.85 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.49 7.81 27 H 9.16 5.02 0.00 3.09 2.82 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.23 4.80 4.15 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 1.11 0.00 0.00 29 Y 9.26 4.71 0.00 3.00 2.99 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 30 H 8.87 5.55 0.00 2.99 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.78 4.76 1.88 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 1.14 0.89 0.88 0.00 0.00 32 K 9.34 4.77 0.00 1.78 1.72 0.00 1.56 0.00 0.00 1.92 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 33 V 8.64 4.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.70 0.00 0.00 34 I 8.56 4.70 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 0.86 0.00 0.00 35 N 8.83 4.76 0.00 2.79 2.91 0.00 0.00 6.91 7.22 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 36 S 8.33 4.38 0.00 3.88 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 37 S 8.03 4.41 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.37 4.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.30 4.82 0.00 1.66 1.81 0.00 3.18 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 40 R 8.49 4.41 0.00 1.89 1.75 0.00 3.06 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 41 I 8.88 5.17 2.27 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 1.14 0.00 0.00 42 G 9.20 5.01 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 43 Y 9.13 6.04 0.00 3.33 3.23 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 44 G 10.19 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.73 5.33 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 1.02 0.00 0.00 46 K 9.27 4.94 0.00 1.69 1.68 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 T 8.39 5.27 4.27 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 0.00 0.00 1.25 0.00 0.00 48 T 8.30 4.19 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 49 N 8.67 4.88 0.00 2.66 2.66 0.00 0.00 7.12 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 50 M 8.47 3.98 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 51 K 8.17 4.08 0.00 1.73 1.87 0.00 1.73 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 1.45 1.43 7.81 52 R 7.94 4.16 0.00 1.73 1.94 0.00 2.74 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 53 L 8.50 5.37 0.00 1.61 1.62 0.97 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.82 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 0.00 0.00 0.00 0.00 55 V 8.38 5.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 56 D 8.77 4.82 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.87 0.00 2.35 2.07 0.00 3.87 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 2.16 2.07 0.00 58 P 0.00 4.74 0.00 2.09 2.45 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 59 C 7.25 4.36 0.00 1.27 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 0.00 0.00 0.00 60 G 5.82 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 61 V 8.61 5.23 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 0.97 0.00 0.00 1.32 0.00 0.00 62 L 9.14 4.83 0.00 1.77 1.57 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.74 4.87 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.42 0.00 2.04 2.15 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 65 K 8.78 3.91 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.36 7.81 66 E 8.05 4.45 0.00 2.08 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 0.00 2.31 2.28 0.00 67 A 8.49 5.41 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 68 V 8.75 4.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.99 0.00 0.00 69 L 8.58 4.98 0.00 1.63 1.62 0.95 0.93 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 70 L 9.00 4.85 0.00 1.62 1.57 0.83 0.51 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 71 A 8.91 4.83 1.17 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 0.00 0.00 72 V 8.95 4.58 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 1.19 0.00 0.00 1.01 0.00 0.00 73 S 9.17 5.11 0.00 3.89 3.95 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 0.00 0.00 0.00 0.00 74 C 8.86 4.76 0.00 2.60 2.63 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 0.00 0.00 0.00 0.00 75 D 8.80 4.95 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.62 4.77 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 77 F 8.96 4.70 0.00 2.98 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 78 A 8.52 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.23 3.61 0.00 2.47 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 80 G 8.28 3.84 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 0.00 81 Q 7.81 4.43 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 82 E 7.40 4.62 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 2.23 2.30 0.00 83 D 8.28 4.58 0.00 2.60 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 84 T 8.14 4.51 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 85 N 8.18 4.87 0.00 2.87 2.97 0.00 0.00 5.94 8.04 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 86 N 7.89 5.07 0.00 2.67 2.80 0.00 0.00 6.97 8.06 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 87 D 8.11 5.14 0.00 2.65 2.57 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 0.00 0.00 0.00 88 R 9.24 4.93 0.00 1.74 1.93 0.00 2.72 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 89 I 8.74 4.68 1.97 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 1.26 0.75 0.93 0.00 0.00 90 T 9.26 4.97 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 91 V 8.90 4.72 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 1.03 0.00 0.00 0.93 0.00 0.00 92 E 9.60 5.55 0.00 2.13 1.61 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 0.00 2.20 2.31 0.00 93 W 8.81 6.11 0.00 3.78 3.44 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 94 T 9.37 4.97 4.38 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 1.72 0.00 0.00 95 N 8.78 4.88 0.00 2.66 2.68 0.00 0.00 6.53 7.05 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 96 T 8.14 3.36 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 0.98 0.00 0.00 97 P 0.00 4.24 0.00 2.18 1.95 0.00 2.41 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 98 D 8.72 4.10 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 99 G 8.65 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.33 4.81 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 0.00 101 A 8.47 4.28 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 0.00 102 K 8.29 4.45 0.00 1.80 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 103 Q 7.69 4.41 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 104 F 8.92 3.46 0.00 2.88 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 0.00 105 R 5.84 3.92 0.00 0.67 1.12 0.00 2.94 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.75 0.00 106 R 8.13 3.64 0.00 1.75 1.96 0.00 3.13 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 107 E 7.76 3.91 0.00 1.91 1.73 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 2.35 2.48 0.00 108 W 7.51 4.75 0.00 3.13 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 0.00 109 F 7.94 4.99 0.00 3.13 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 0.00 110 Q 8.49 4.48 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 111 G 7.91 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 0.00 0.00 0.00 112 D 8.54 4.29 0.00 2.67 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 0.00 113 G 7.54 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 0.00 0.00 0.00 114 M 8.04 4.57 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 115 V 8.12 4.23 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 0.14 0.00 0.00 0.51 0.00 0.00 116 R 8.26 4.40 0.00 1.17 0.66 0.00 2.90 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.16 0.00 117 R 7.80 5.17 0.00 1.78 1.70 0.00 2.99 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 118 K 9.53 4.69 0.00 2.15 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 119 N 8.93 5.11 0.00 2.65 2.72 0.00 0.00 6.93 7.85 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 0.00 120 L 8.79 4.68 0.00 1.63 1.48 0.89 1.30 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 0.00 121 P 0.00 4.63 0.00 1.98 1.92 0.00 3.72 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 2.06 2.09 0.00 122 I 8.36 4.22 1.46 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 -0.60 0.00 0.00 123 E 8.40 4.52 0.00 1.85 1.56 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 0.00 2.16 2.23 0.00 124 Y 8.68 5.06 0.00 3.21 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 0.00 125 N 9.36 4.95 0.00 2.88 2.78 0.00 0.00 6.56 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.22 0.00 2.03 1.09 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00