NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1598 8.2649 123.5834 48.0355 21.1516 175.2252 2 K 3.5195 7.6010 121.7363 54.6894 29.1598 174.4533 3 Q 3.9884 8.2329 124.2078 59.3346 29.9745 177.8007 4 S 4.0755 8.1580 114.2001 62.2504 62.3281 176.1352 5 M 4.0181 8.0159 121.8445 57.5950 32.0578 177.9196 6 K 3.8799 8.7417 119.0867 59.5818 32.3046 178.9636 7 A 4.0217 8.1363 120.6602 55.3757 18.1635 179.7736 8 R 3.8073 7.6224 116.2827 59.7720 30.0356 177.9905 9 E 3.8778 7.8899 118.1875 59.5893 29.3386 178.7427 10 V 3.5948 7.5842 117.0898 66.5081 31.5773 178.1150 11 K 4.0411 8.2685 118.0211 59.3245 31.8929 179.0917 12 R 4.0136 7.9024 118.1785 60.1190 29.9679 178.5409 13 V 3.5348 7.7531 116.9640 65.9423 31.3909 177.4821 14 A 4.8131 7.9079 120.9571 54.7338 18.4545 179.3979 15 L 3.9481 7.8509 116.6141 58.1776 41.7923 179.4660 16 A 4.9870 8.1078 121.7475 55.0420 18.1446 179.3452 17 D 4.3053 8.0540 116.9674 57.5456 40.8201 178.9148 18 K 3.8611 8.0122 118.2411 57.1932 32.0468 177.3541 19 Y 4.1229 8.2259 111.9238 58.0332 38.7231 178.1091 20 F 4.4710 5.4600 127.4136 61.4358 39.7933 177.8514 21 A 4.3421 8.5269 122.7821 54.9019 18.1555 178.3165 22 K 5.3179 9.3509 111.0620 55.2047 34.6555 176.9853 23 R 4.4800 7.7236 118.0103 56.2350 32.4786 176.8907 24 A 4.8500 8.4852 118.3946 52.7926 18.7033 178.8138 25 E 4.2178 8.4803 124.1733 60.1524 29.7041 178.4087 26 L 3.9982 8.0843 119.9205 58.9234 39.8730 179.3058 27 K 3.9089 8.2081 118.9271 59.8742 32.2034 178.7994 28 A 4.0748 8.0984 120.2415 53.8311 18.3806 176.9843 29 I 3.9589 7.5128 116.4150 61.6939 37.6870 177.1035 30 I 3.4992 6.6833 122.6365 66.3874 38.3158 178.9760 31 S 4.6966 7.6518 122.5722 58.3002 62.0708 173.6544 32 D 4.7935 9.0869 118.7694 52.1519 44.4848 175.7508 33 V 3.8884 8.1398 121.5252 63.2273 28.9771 174.1728 34 N 4.8821 7.9307 119.9885 53.1352 42.4981 175.3776 35 A 4.5019 7.6124 120.3622 51.6833 21.1990 176.2186 *40 R 4.3647 7.7660 110.9613 55.7215 30.4665 175.3830 41 W 5.5230 8.3735 128.5355 55.1679 34.2756 175.4642 42 N 4.3156 8.5438 124.2676 56.6527 38.7007 176.4564 43 A 3.8179 7.2902 121.7094 55.3326 18.2171 179.6155 44 V 3.7337 7.5505 115.2058 65.8256 31.4951 177.9439 45 L 4.0614 7.7699 119.0815 57.3699 41.8910 178.1288 46 K 4.3686 7.3264 115.6552 57.2903 33.1630 177.8905 47 L 4.1324 7.8869 121.4912 57.8924 41.8158 178.4291 48 Q 4.3462 8.1512 115.1688 57.6025 29.2791 177.6412 49 T 4.3094 7.6529 118.7990 61.8141 67.0848 172.3603 50 L 4.4353 7.5785 131.5346 55.6599 42.9347 174.8652 51 P 3.8434 0.0000 0.0000 64.4706 33.1622 179.1435 52 R 3.9621 8.6339 120.5883 56.2555 29.1750 176.9146 53 D 4.3193 9.2805 119.5109 56.5221 41.9467 177.4902 54 S 4.4561 7.7582 113.1289 59.8934 62.7644 174.1618 55 S 4.0100 8.6257 117.5878 58.0505 63.3731 172.7952 56 P 4.3464 0.0000 0.0000 65.9857 31.4213 178.2257 57 S 4.3011 7.9137 111.4451 59.0350 62.1585 174.5422 58 R 4.4453 7.6263 117.9036 55.9905 30.5550 176.2862 59 Q 4.4289 7.7364 117.8261 54.9975 29.7543 175.8596 60 R 4.4128 8.9170 119.0371 56.8486 29.2384 179.5359 61 N 3.3638 8.6048 112.4709 51.7817 39.4984 174.9669 62 R 4.5494 7.1982 118.7892 55.2740 30.2167 175.8782 63 C 4.4884 8.2506 119.1977 59.2710 32.2638 174.3325 64 R 3.9775 8.5926 127.3027 59.3966 30.2498 176.9917 65 Q 3.9812 7.9798 115.5721 57.3522 28.2112 176.8986 66 T 3.9271 8.6797 113.1911 66.0127 69.3055 177.2995 67 G 4.5588 8.2113 109.8233 44.7621 0.0000 173.3101 68 R 3.9788 8.2768 120.7878 55.1242 30.1383 175.3082 69 P 4.4191 0.0000 0.0000 65.1646 32.9491 176.5170 70 H 4.6137 7.9092 111.4319 55.8679 28.1000 177.5436 71 G 4.1649 8.5253 126.2803 44.7247 0.0000 172.1712 72 F 5.5295 8.5763 127.9053 56.2700 43.5042 173.9710 73 L 4.2917 6.4265 121.4304 53.2043 44.6992 177.3205 74 R 4.0358 8.9286 123.9238 59.3994 30.1483 177.9971 75 K 3.6222 7.8232 116.4472 59.5769 31.9067 177.2874 76 F 4.3285 7.5459 115.4823 57.6181 39.8268 176.8591 77 G 3.9983 8.8373 109.4286 46.0600 0.0000 172.8645 78 L 5.2331 7.2165 118.1390 51.6252 45.5713 176.2888 79 S 5.1719 8.6604 116.5654 57.7452 64.5532 175.1025 80 R 3.8852 8.6027 120.4786 60.0664 28.6802 178.8331 81 I 3.6814 7.6699 119.5544 63.9863 37.2332 178.0838 82 K 3.8079 8.0777 118.7046 59.8151 31.8360 178.7283 83 V 3.2943 7.7092 117.9273 66.5473 31.3765 177.6563 84 R 3.7804 7.6783 116.8123 59.3077 29.1233 177.8051 85 E 3.8443 8.5070 118.7963 59.5382 29.7273 179.2541 86 A 3.9446 8.3451 120.4012 55.1348 18.4344 179.3134 87 A 3.9372 8.3007 118.1413 55.3091 18.6115 179.6449 88 M 4.1281 7.8315 117.0604 58.5267 32.0978 178.7216 89 R 4.1809 7.0883 112.5673 57.1634 30.2012 177.3785 90 G 3.8991 7.7929 106.6763 46.1001 0.0000 175.1258 91 E 4.0616 8.0595 120.9378 58.7679 29.6050 177.9160 92 I 4.2568 7.4477 118.7653 59.3621 38.4426 173.9954 93 P 4.3666 0.0000 0.0000 63.4953 31.9698 176.5932 94 G 3.9037 8.6345 106.4230 46.1673 0.0000 172.5960 95 L 4.5513 7.6267 121.4934 53.2728 43.0439 175.6039 96 K 4.4165 8.1497 123.1944 55.3904 35.0692 174.9526 97 K 3.8484 8.6132 118.5581 56.7239 31.8260 177.1539 98 A 4.4410 8.5340 127.3994 52.1709 19.2405 176.7070 99 S 4.5996 8.4862 112.5390 57.4533 65.6530 175.2299 100 W 4.3553 8.1773 120.9176 57.1758 27.2099 174.0162 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 8.26 4.16 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 2 K 7.60 3.52 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.23 3.99 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 4 S 8.16 4.08 0.00 4.08 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 5 M 8.02 4.02 0.00 2.06 2.10 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 2.66 2.57 0.00 6 K 8.74 3.88 0.00 2.01 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.71 7.81 7 A 8.14 4.02 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 R 7.62 3.81 0.00 2.11 2.00 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 9 E 7.89 3.88 0.00 2.06 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 2.28 2.35 0.00 10 V 7.58 3.59 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 8.27 4.04 0.00 1.96 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.62 7.81 12 R 7.90 4.01 0.00 1.90 2.14 0.00 3.30 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 13 V 7.75 3.53 2.31 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 1.02 0.00 0.00 0.98 0.00 0.00 14 A 7.91 4.81 1.39 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 0.00 0.00 0.00 15 L 7.85 3.95 0.00 1.86 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.11 4.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.05 4.31 0.00 2.70 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 18 K 8.01 3.86 0.00 1.99 2.01 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.90 7.81 19 Y 8.23 4.12 0.00 2.99 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 0.00 0.00 0.00 20 F 5.46 4.47 0.00 3.18 3.05 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 21 A 8.53 4.34 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 22 K 9.35 5.32 0.00 1.66 1.73 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 23 R 7.72 4.48 0.00 1.78 1.84 0.00 3.03 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.00 24 A 8.49 4.85 1.63 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 0.00 0.00 25 E 8.48 4.22 0.00 2.01 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 2.41 2.46 0.00 26 L 8.08 4.00 0.00 1.92 2.00 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.21 3.91 0.00 2.09 2.19 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.68 7.81 28 A 8.10 4.07 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 29 I 7.51 3.96 1.96 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 1.30 0.78 0.90 0.00 0.00 30 I 6.68 3.50 2.07 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 1.33 0.69 1.05 0.00 0.00 31 S 7.65 4.70 0.00 3.98 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 32 D 9.09 4.79 0.00 2.78 2.82 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 0.00 33 V 8.14 3.89 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 0.87 0.00 0.00 0.95 0.00 0.00 34 N 7.93 4.88 0.00 2.65 2.66 0.00 0.00 6.90 7.35 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 35 A 7.61 4.50 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 *40 R 7.77 4.36 0.00 2.06 2.06 0.00 3.02 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 41 W 8.37 5.52 0.00 3.23 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 42 N 8.54 4.32 0.00 2.69 2.53 0.00 0.00 7.06 8.41 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 43 A 7.29 3.82 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 44 V 7.55 3.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.28 0.00 0.00 45 L 7.77 4.06 0.00 1.73 1.93 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.33 4.37 0.00 1.86 1.82 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.51 7.81 47 L 7.89 4.13 0.00 1.98 1.88 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.15 4.35 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 49 T 7.65 4.31 4.31 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 1.21 0.00 0.00 50 L 7.58 4.44 0.00 1.66 1.70 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.84 0.00 2.00 1.69 0.00 3.93 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.59 0.00 52 R 8.63 3.96 0.00 2.07 1.75 0.00 3.26 0.00 0.00 3.36 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 53 D 9.28 4.32 0.00 2.67 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 54 S 7.76 4.46 0.00 3.73 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 55 S 8.63 4.01 0.00 3.97 3.64 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 56 P 0.00 4.35 0.00 2.15 2.25 0.00 3.27 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 57 S 7.91 4.30 0.00 3.81 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 58 R 7.63 4.45 0.00 2.01 1.92 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 Q 7.74 4.43 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.52 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 60 R 8.92 4.41 0.00 1.77 1.89 0.00 3.15 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 61 N 8.60 3.36 0.00 2.04 1.44 0.00 0.00 7.21 7.66 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 62 R 7.20 4.55 0.00 1.93 2.01 0.00 3.23 0.00 0.00 3.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 63 C 8.25 4.49 0.00 3.06 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 64 R 8.59 3.98 0.00 2.26 2.03 0.00 3.40 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 65 Q 7.98 3.98 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 66 T 8.68 3.93 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 1.23 0.00 0.00 67 G 8.21 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.28 3.98 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 69 P 0.00 4.42 0.00 2.06 2.11 0.00 3.79 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 1.91 1.95 0.00 70 H 7.91 4.61 0.00 3.19 2.62 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.53 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 72 F 8.58 5.53 0.00 3.13 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 73 L 6.43 4.29 0.00 1.47 1.54 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.93 4.04 0.00 1.80 2.08 0.00 3.32 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.81 0.00 75 K 7.82 3.62 0.00 1.30 1.15 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.55 4.33 0.00 2.96 3.04 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 77 G 8.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 5.23 0.00 1.71 1.53 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.66 5.17 0.00 4.10 4.09 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 80 R 8.60 3.89 0.00 2.05 2.30 0.00 2.97 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 81 I 7.67 3.68 1.87 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 1.64 0.68 0.91 0.00 0.00 82 K 8.08 3.81 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.48 7.81 83 V 7.71 3.29 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 0.30 0.00 0.00 0.84 0.00 0.00 84 R 7.68 3.78 0.00 1.88 1.99 0.00 3.16 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 85 E 8.51 3.84 0.00 2.13 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 0.00 2.30 2.35 0.00 86 A 8.35 3.94 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 A 8.30 3.94 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 88 M 7.83 4.13 0.00 2.06 2.26 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 2.59 2.84 0.00 89 R 7.09 4.18 0.00 1.78 1.98 0.00 3.17 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 90 G 7.79 3.90 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 0.00 0.00 0.00 91 E 8.06 4.06 0.00 1.99 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 2.33 2.49 0.00 92 I 7.45 4.26 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 1.10 0.00 0.00 93 P 0.00 4.37 0.00 2.24 2.19 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 94 G 8.63 3.90 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 0.00 0.00 0.00 95 L 7.63 4.55 0.00 1.84 1.58 1.07 0.21 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 96 K 8.15 4.42 0.00 1.87 1.75 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.48 7.81 97 K 8.61 3.85 0.00 1.79 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 98 A 8.53 4.44 1.54 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 99 S 8.49 4.60 0.00 3.97 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 0.00 100 W 8.18 4.36 0.00 3.37 3.15 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 * Residues marked with a * may have inaccurate shift predictions.