NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1139 8.2531 123.5812 52.8607 19.7823 177.9016 2 G 3.6898 8.5514 113.5315 44.4740 0.0000 166.6348 3 V 4.6341 7.8812 112.8394 59.1241 34.8438 174.2027 4 M 4.4190 8.2690 121.7137 56.4556 32.8141 175.6940 5 T 4.6828 8.3841 113.8084 59.0445 72.8656 174.8808 6 G 3.7504 9.1059 109.0882 47.3053 0.0000 175.6241 7 A 4.0603 8.0377 122.5863 55.0567 18.5795 179.7725 8 K 3.9953 8.2106 117.0240 59.4547 31.8865 179.3693 9 F 4.2992 8.2643 120.1762 61.7576 39.3838 177.0764 10 T 4.0572 8.1989 114.6457 66.5304 68.3329 176.3484 11 Q 4.0455 8.0084 120.7641 57.9590 29.3942 176.8717 12 I 3.7668 6.9701 120.4745 60.8662 37.9555 175.2478 13 Q 4.5917 7.9635 122.6657 53.4128 31.8349 175.1907 14 F 4.1578 8.3667 119.1808 59.1632 39.4634 175.2479 15 G 4.1595 8.4477 112.4231 45.8891 0.0000 174.3895 16 M 4.3954 7.5914 118.7575 55.3513 32.7103 176.1382 17 T 5.1666 8.4682 113.9693 60.1455 71.6183 176.1981 18 R 3.7240 8.1964 119.9335 59.5056 29.8649 179.0123 19 Q 3.8976 7.9264 118.6081 59.3408 29.1018 178.2489 20 Q 3.9314 7.9216 118.6892 58.6962 28.6760 178.8415 21 V 3.3094 7.8217 119.2298 65.9513 31.5408 177.9795 22 L 3.9499 8.0273 118.7996 58.0477 41.2641 179.2334 23 D 4.3364 8.0403 117.6240 57.4285 40.7936 178.8822 24 I 3.8635 7.4764 118.9047 64.3568 37.3414 178.0340 25 A 4.3574 8.3067 120.6927 52.2530 18.4557 176.3800 26 G 3.6751 8.4271 108.5749 45.6950 0.0000 174.0039 27 A 3.9841 8.5442 129.7211 54.5519 18.6063 179.0022 28 E 4.1027 8.0922 112.4239 58.5986 29.8951 177.3082 29 N 4.6077 8.3835 116.6405 53.8417 39.1686 173.5440 30 C 5.5731 7.7933 115.4664 55.1851 44.9984 172.9151 31 E 4.8715 8.9873 117.7726 55.6806 33.1566 173.5438 32 T 5.0539 7.5168 114.0543 60.9279 71.6065 173.6209 33 G 3.9118 9.3042 113.0392 45.6122 0.0000 175.2251 34 G 3.7399 8.1443 108.9290 46.8382 0.0000 177.9446 35 S 3.9821 8.8071 120.8651 60.1218 62.7624 174.3972 36 F 4.6041 8.3377 118.2488 56.1774 40.5241 176.9390 37 G 3.7872 7.5485 110.4730 47.1803 0.0000 174.9014 38 D 4.7529 8.7827 124.9734 53.3648 39.9246 176.7668 39 S 4.9431 8.1358 117.0495 58.9228 64.8559 172.8279 40 I 4.6522 8.8871 122.0586 59.9901 39.5516 174.3144 41 H 5.1851 8.9467 127.1153 54.3999 32.2075 171.8363 42 C 5.4481 9.1338 123.1420 55.2375 41.4127 173.1189 43 R 4.8956 8.9177 122.7075 54.4179 31.9260 175.7430 44 G 4.3491 8.7773 111.4741 46.3916 0.0000 173.2981 45 H 4.8657 8.7554 120.2028 55.1224 30.3934 174.8798 46 A 3.9956 8.5795 121.9040 52.8684 18.7260 176.9634 47 A 4.3483 8.9894 121.8781 52.0953 23.4922 177.6314 48 G 4.1477 8.2676 109.2294 47.4375 0.0000 173.9022 49 D 4.9702 8.6490 121.5059 53.8000 42.5612 174.8118 50 Y 4.7722 7.8762 126.0344 56.6776 44.6260 175.5220 51 Y 5.1929 8.3645 112.4528 55.3741 42.1791 173.7541 52 A 4.4788 8.9527 124.2658 52.9995 19.8470 176.1935 53 Y 5.2100 8.2598 116.9641 56.2035 41.9511 173.1837 54 A 5.0805 9.0658 121.5348 50.4357 23.0225 175.2293 55 T 4.8955 8.7927 116.4902 61.7332 72.6249 172.9547 56 F 5.2293 9.4018 125.4665 55.6825 41.6753 175.0130 57 G 4.5369 8.9317 111.0165 44.6678 0.0000 172.3898 58 F 5.5676 8.6314 119.5003 55.2056 42.1471 175.4980 59 T 4.3332 9.0886 111.8938 64.6131 69.1163 173.6837 60 S 4.5394 7.7013 113.2976 57.7364 65.1093 173.8514 61 A 4.2449 8.5878 121.4693 53.4842 18.8050 177.9986 62 A 4.1253 7.9041 119.7685 51.5384 19.0316 178.5545 63 A 3.8870 8.6453 124.1013 54.9470 18.5036 178.3661 64 D 4.7034 7.9272 112.3232 52.9896 39.9978 176.5291 65 A 4.2768 7.9782 123.6866 52.7086 19.2041 176.9360 66 K 5.1427 8.5509 118.9367 54.0973 35.8735 176.0162 67 V 3.5406 8.7232 123.9901 63.6151 31.8051 175.6968 68 D 5.1091 8.8997 126.7963 53.1615 41.0718 175.5919 69 S 5.4714 7.8713 114.5365 57.4657 66.3321 172.5424 70 K 4.9323 9.5047 126.1479 54.7926 35.4567 175.4146 71 S 5.5139 9.0767 120.6932 56.9621 66.9183 173.1321 72 Q 4.5498 8.8714 120.0008 54.7910 31.7931 173.6995 73 E 4.1710 7.3575 119.6881 55.1869 33.1338 176.6729 74 K 3.6392 8.6153 121.2464 57.0873 30.2794 176.4821 75 L 4.1611 8.0023 121.2399 56.1691 42.1475 176.7729 76 L 4.5792 7.7361 116.8471 52.7678 43.3951 175.4688 77 A 4.6053 8.1280 125.6356 49.2254 21.1518 174.8831 78 P 4.5140 0.0000 0.0000 62.5715 32.0133 176.9636 79 S 4.1834 8.8910 115.1762 61.3645 63.2630 173.1520 80 A 4.6990 7.5707 118.3735 50.4252 20.5597 172.7039 81 P 4.5335 0.0000 0.0000 63.1019 32.1920 177.9228 82 T 4.5931 8.9926 112.1639 61.1145 69.5835 173.6950 83 L 4.2221 7.6850 123.4871 56.0799 42.9131 175.8669 84 T 4.8108 8.0876 120.3032 60.8709 73.7237 174.9621 85 L 4.0244 8.1322 123.6997 58.1533 41.7607 179.1505 86 A 3.9982 7.9383 119.6365 55.2352 18.6405 179.2722 87 K 4.2422 8.0539 116.4735 59.5609 32.3151 179.0832 88 F 4.0744 8.3456 120.9646 61.5562 39.0326 177.0089 89 N 4.3082 8.0888 114.9031 56.0431 38.4250 177.0101 90 Q 4.1077 7.5517 117.8300 56.5445 29.0478 176.6563 91 V 3.6198 6.7205 120.6517 62.6781 32.2260 175.1866 92 T 4.4289 7.9777 122.9372 61.0102 71.3898 173.5918 93 V 3.5070 8.0854 125.3242 64.6337 31.7711 175.9995 94 G 4.0091 8.6514 115.3639 45.5314 0.0000 174.0434 95 M 4.3667 7.7879 120.1022 55.4176 32.7113 176.2902 96 T 4.6975 8.9806 113.2922 61.0839 71.2479 175.6750 97 R 3.8832 8.3308 120.9173 59.6510 29.8082 178.4470 98 A 3.9611 7.8995 119.7581 55.4130 18.6047 179.3890 99 Q 3.9696 8.0842 116.6070 59.0750 28.7313 179.5146 100 V 3.5996 8.0147 119.1653 66.1244 31.6183 178.1897 101 L 4.0774 8.2894 118.6449 57.6758 41.1676 179.3207 102 A 4.0668 7.8811 120.0736 55.0556 18.4406 179.5211 103 T 3.9931 7.6252 113.4770 66.2588 68.6299 176.5330 104 V 4.2960 7.5700 112.1439 59.5860 32.9954 176.7302 105 G 4.1156 8.2014 108.4500 45.3282 0.0000 174.4181 106 Q 3.9774 9.0707 124.2892 59.1769 29.0412 178.0972 107 G 4.0325 8.0719 104.0706 46.2532 0.0000 174.7573 108 S 4.6170 8.2361 116.3087 59.0729 63.4891 173.2195 109 C 5.7097 8.0418 116.9495 55.1950 43.3953 172.7300 110 T 4.9677 8.9804 111.4488 60.2209 72.5246 172.8803 111 T 4.6113 8.5543 119.1713 63.0912 68.8804 174.7204 112 W 4.7426 9.6564 135.0000 60.0393 32.0689 175.9491 113 S 5.2863 8.0863 112.9237 56.9080 65.9878 172.3026 114 E 5.1470 9.0739 126.4164 55.3656 33.2683 173.0460 115 Y 5.4371 9.0095 128.0148 56.3286 42.7733 173.4991 116 Y 4.7267 8.7984 125.0950 55.2812 38.4241 174.6774 117 P 3.8733 0.0000 0.0000 64.2354 32.0087 177.5769 118 A 4.6693 7.7013 121.1976 51.6534 19.4618 174.6208 119 Y 4.2612 7.7912 119.0642 59.0197 38.9426 175.1187 120 P 2.9700 0.0000 0.0000 62.8716 31.9683 176.4616 121 S 4.1039 7.5472 114.9286 58.6208 62.8189 173.7671 122 T 4.4049 8.2376 114.7841 61.5749 69.3548 174.3818 123 A 4.0826 7.6859 126.9762 53.8576 18.6470 178.0832 124 G 3.9339 9.7921 112.0224 44.5912 0.0000 173.9380 125 V 3.6669 7.4271 120.2133 62.4672 32.1280 175.3216 126 T 5.1778 8.5604 114.3216 59.9346 71.8631 172.9707 127 L 5.1382 8.8771 125.0091 53.8737 46.0006 174.6281 128 S 5.5385 9.5037 122.6158 56.9611 65.6673 172.9318 129 L 5.3463 9.8206 125.4412 53.3527 44.0349 175.4779 130 S 5.2518 9.2456 118.6876 57.0445 65.1004 172.5221 131 C 5.4631 8.7128 121.0993 55.0262 42.7415 173.0731 132 F 5.5301 8.8908 119.4241 55.7396 43.1135 174.9390 133 D 5.1535 8.6032 120.6554 51.5783 40.7818 177.1007 134 V 3.9233 8.3191 117.4254 64.8095 31.3373 176.1938 135 D 4.7180 7.8180 116.6743 55.0887 42.2635 176.9380 136 G 4.0171 8.7617 107.2538 44.4518 0.0000 172.8252 *145 G 3.9804 8.7071 107.3787 46.0524 0.0000 172.0097 146 S 5.3565 8.9135 118.1763 57.4476 67.4375 172.3520 147 A 5.1454 9.1137 120.6449 50.8511 23.2302 174.4215 148 H 5.8149 9.8822 119.3495 54.5688 32.9263 172.6744 149 L 5.2104 9.4743 125.6127 52.6272 44.8233 175.5021 150 W 5.6371 7.9401 120.4574 54.7275 31.5258 174.5609 151 F 5.3822 9.6782 119.6594 56.1917 43.2776 173.8581 152 T 5.0312 8.5173 117.2120 62.6538 72.1677 174.0992 153 D 4.2030 10.0806 125.6210 55.4483 39.2827 174.9091 154 G 3.9109 8.5252 104.0621 45.3981 0.0000 173.3465 155 V 4.7049 7.6593 119.7493 60.1148 33.7496 174.6426 156 L 3.4031 9.0011 129.7156 55.4441 42.0494 177.3163 157 Q 3.9829 8.2539 125.4374 56.1326 29.9140 175.5396 158 G 3.2701 5.9202 104.5393 45.7164 0.0000 171.7875 159 K 4.7464 7.4301 117.5555 55.4747 35.5448 175.4362 160 R 4.8843 9.2112 121.5539 55.1446 33.8995 173.5430 161 Q 4.4206 7.5736 121.2770 54.1020 32.4590 174.2540 162 W 4.8250 8.6258 119.1400 55.6164 33.2135 175.3644 163 D 4.2405 9.0176 123.9529 55.1514 38.0228 173.9978 164 L 4.2817 7.7911 118.0404 54.7542 42.4235 177.8529 165 V 4.0383 8.0987 113.7139 61.7025 32.5131 175.6259 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 1 A 8.25 4.11 1.27 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 0.00 0.00 0.00 2 G 8.55 3.69 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 0.00 3 V 7.88 4.63 2.15 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 0.95 0.00 0.00 0.69 0.00 0.00 4 M 8.27 4.42 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 5 T 8.38 4.68 4.26 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 1.26 0.00 0.00 6 G 9.11 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 7 A 8.04 4.06 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 8 K 8.21 4.00 0.00 2.07 1.93 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.47 7.81 9 F 8.26 4.30 0.00 3.10 3.32 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 10 T 8.20 4.06 4.44 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 1.26 0.00 0.00 11 Q 8.01 4.05 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 I 6.97 3.77 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.51 0.23 0.00 0.00 13 Q 7.96 4.59 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 14 F 8.37 4.16 0.00 3.03 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 15 G 8.45 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 16 M 7.59 4.40 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 17 T 8.47 5.17 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 1.23 0.00 0.00 18 R 8.20 3.72 0.00 1.61 1.78 0.00 2.77 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 19 Q 7.93 3.90 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 20 Q 7.92 3.93 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 21 V 7.82 3.31 2.24 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 0.77 0.00 0.00 0.73 0.00 0.00 22 L 8.03 3.95 0.00 1.82 1.69 0.88 1.30 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 23 D 8.04 4.34 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 24 I 7.48 3.86 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.90 0.00 0.00 25 A 8.31 4.36 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.43 3.68 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 0.00 0.00 0.00 27 A 8.54 3.98 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 28 E 8.09 4.10 0.00 2.07 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 2.25 2.26 0.00 29 N 8.38 4.61 0.00 2.90 2.85 0.00 0.00 6.60 7.39 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 30 C 7.79 5.57 0.00 2.94 2.97 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 31 E 8.99 4.87 0.00 2.00 1.97 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 2.23 2.15 0.00 32 T 7.52 5.05 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 1.22 0.00 0.00 33 G 9.30 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 0.00 0.00 0.00 0.00 34 G 8.14 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.81 3.98 0.00 3.13 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.60 0.00 3.24 3.11 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 37 G 7.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.78 4.75 0.00 2.82 2.81 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 0.00 0.00 0.00 39 S 8.14 4.94 0.00 4.17 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 0.00 40 I 8.89 4.65 2.29 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 1.17 0.77 1.08 0.00 0.00 41 H 8.95 5.19 0.00 2.00 2.10 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 9.13 5.45 0.00 2.96 2.97 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 43 R 8.92 4.90 0.00 1.48 1.49 0.00 2.73 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.00 44 G 8.78 4.35 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 0.00 45 H 8.76 4.87 0.00 3.11 3.20 0.00 5.65 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 46 A 8.58 4.00 0.97 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 47 A 8.99 4.35 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 48 G 8.27 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 0.00 0.00 0.00 0.00 49 D 8.65 4.97 0.00 2.61 2.66 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 0.00 50 Y 7.88 4.77 0.00 3.02 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 0.00 0.00 0.00 0.00 51 Y 8.36 5.19 0.00 2.30 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 52 A 8.95 4.48 1.24 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 0.00 0.00 53 Y 8.26 5.21 0.00 3.09 3.12 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 0.00 0.00 0.00 0.00 54 A 9.07 5.08 1.07 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 0.00 0.00 55 T 8.79 4.90 4.35 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 1.32 0.00 0.00 56 F 9.40 5.23 0.00 2.99 2.60 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 57 G 8.93 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.63 5.57 0.00 3.03 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 59 T 9.09 4.33 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 1.42 0.00 0.00 60 S 7.70 4.54 0.00 4.01 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 61 A 8.59 4.24 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 62 A 7.90 4.13 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 63 A 8.65 3.89 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 64 D 7.93 4.70 0.00 2.81 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 65 A 7.98 4.28 1.46 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 0.00 0.00 66 K 8.55 5.14 0.00 1.75 1.68 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.45 7.81 67 V 8.72 3.54 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 0.66 0.00 0.00 0.58 0.00 0.00 68 D 8.90 5.11 0.00 3.19 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 69 S 7.87 5.47 0.00 4.08 3.81 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 0.00 0.00 0.00 70 K 9.50 4.93 0.00 1.76 1.62 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.04 0.23 7.81 71 S 9.08 5.51 0.00 3.82 3.85 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 72 Q 8.87 4.55 0.00 1.41 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 73 E 7.36 4.17 0.00 1.43 1.55 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 1.49 2.00 0.00 74 K 8.62 3.64 0.00 1.82 1.85 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.32 7.81 75 L 8.00 4.16 0.00 1.53 1.55 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.74 4.58 0.00 1.55 1.57 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.13 4.61 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.51 0.00 2.42 2.27 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 79 S 8.89 4.18 0.00 4.05 4.19 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 80 A 7.57 4.70 1.24 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 0.00 0.00 81 P 0.00 4.53 0.00 2.46 2.34 0.00 3.65 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 2.10 1.97 0.00 82 T 8.99 4.59 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 1.30 0.00 0.00 83 L 7.69 4.22 0.00 1.95 1.83 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.09 4.81 4.28 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 1.33 0.00 0.00 85 L 8.13 4.02 0.00 1.68 1.68 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.94 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.24 0.00 1.99 2.10 0.00 1.88 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 88 F 8.35 4.07 0.00 3.14 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 89 N 8.09 4.31 0.00 2.94 2.85 0.00 0.00 7.10 7.69 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 90 Q 7.55 4.11 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 91 V 6.72 3.62 1.78 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 0.45 0.00 0.00 0.81 0.00 0.00 92 T 7.98 4.43 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 1.11 0.00 0.00 93 V 8.09 3.51 1.94 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 0.67 0.00 0.00 0.68 0.00 0.00 94 G 8.65 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 95 M 7.79 4.37 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 96 T 8.98 4.70 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 1.27 0.00 0.00 97 R 8.33 3.88 0.00 1.45 1.86 0.00 2.80 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.00 98 A 7.90 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 100 V 8.01 3.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 101 L 8.29 4.08 0.00 1.87 1.74 0.92 0.96 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 0.00 102 A 7.88 4.07 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 0.00 103 T 7.63 3.99 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 1.21 0.00 0.00 104 V 7.57 4.30 2.15 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 0.79 0.00 0.00 1.02 0.00 0.00 105 G 8.20 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 9.07 3.98 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 107 G 8.07 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.24 4.62 0.00 4.13 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 0.00 109 C 8.04 5.71 0.00 3.01 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 0.00 110 T 8.98 4.97 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 1.32 0.00 0.00 111 T 8.55 4.61 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 112 W 9.66 4.74 0.00 3.47 3.35 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 0.00 113 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.24 4.40 4.34 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 1.02 0.00 0.00 123 A 7.69 4.08 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 0.00 124 G 9.79 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 0.00 0.00 0.00 125 V 7.43 3.67 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 0.84 0.00 0.00 0.41 0.00 0.00 126 T 8.56 5.18 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 127 L 8.88 5.14 0.00 1.75 1.59 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 S 9.50 5.54 0.00 3.70 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 0.00 129 L 9.82 5.35 0.00 1.86 1.77 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 130 S 9.25 5.25 0.00 3.55 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 0.00 131 C 8.71 5.46 0.00 2.86 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 0.00 132 F 8.89 5.53 0.00 3.02 2.91 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 0.00 133 D 8.60 5.15 0.00 3.04 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 0.00 134 V 8.32 3.92 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 1.03 0.00 0.00 0.99 0.00 0.00 135 D 7.82 4.72 0.00 2.76 2.69 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 0.00 136 G 8.76 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 *145 G 8.71 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 0.00 0.00 0.00 146 S 8.91 5.36 0.00 3.66 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 0.00 147 A 9.11 5.15 1.27 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 0.00 0.00 0.00 148 H 9.88 5.81 0.00 3.88 3.71 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.47 5.21 0.00 1.81 1.43 1.01 0.46 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 0.00 150 W 7.94 5.64 0.00 3.39 3.16 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 0.00 0.00 0.00 151 F 9.68 5.38 0.00 2.98 2.97 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 0.00 152 T 8.52 5.03 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 1.25 0.00 0.00 153 D 10.08 4.20 0.00 2.77 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 0.00 154 G 8.53 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 0.00 0.00 0.00 0.00 155 V 7.66 4.70 2.22 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 0.99 0.00 0.00 1.01 0.00 0.00 156 L 9.00 3.40 0.00 1.24 1.23 -0.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.25 3.98 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 158 G 5.92 3.27 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 0.00 0.00 0.00 0.00 159 K 7.43 4.75 0.00 1.54 1.26 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.41 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.89 1.21 7.81 160 R 9.21 4.88 0.00 2.18 1.81 0.00 3.14 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 161 Q 7.57 4.42 0.00 1.41 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 162 W 8.63 4.82 0.00 3.28 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 0.00 163 D 9.02 4.24 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.79 4.28 0.00 1.67 1.54 0.64 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 0.00 165 V 8.10 4.04 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 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.