NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3718 8.1227 122.4651 52.2279 20.5906 174.9813 3 Q 4.3780 7.7291 117.7357 55.1209 31.7705 171.4853 4 K 4.3973 8.5320 122.8196 56.3690 35.7878 173.2310 5 T 5.3975 8.5315 124.5807 62.8599 69.9864 173.8989 6 F 4.8936 8.8509 121.8558 55.8073 44.1890 174.1161 7 K 5.6670 8.4664 117.4106 53.7485 33.9448 174.8875 8 V 3.8248 8.4278 119.6046 62.2367 32.0700 176.7192 9 T 4.2633 8.6475 113.5249 62.2140 70.9370 175.0185 10 A 4.0742 7.4338 125.6283 52.0255 18.9108 177.6828 11 D 4.4278 8.9804 123.5169 57.5240 41.1183 178.5314 12 S 4.1984 8.0095 112.2353 59.2353 63.9701 175.7284 13 G 3.7602 7.7395 108.4331 45.6410 0.0000 174.8808 14 I 4.1027 7.5726 117.7489 60.3201 36.1031 173.9072 15 H 4.7332 7.1650 118.0399 56.1902 33.0917 172.9137 16 A 3.4622 8.7273 122.6743 53.9983 17.9007 177.6146 17 R 4.0446 8.6560 110.0140 59.6499 30.1220 176.7523 18 P 4.1779 0.0000 0.0000 65.9417 31.3597 178.3242 19 A 3.9809 8.3420 119.4792 55.2706 18.2118 179.8017 20 T 3.7152 8.1542 114.6532 66.7913 68.5933 176.5443 21 V 3.5457 7.8537 119.6611 66.1658 31.4820 177.4583 22 L 3.8600 7.6080 119.3430 58.3755 41.9675 178.9899 23 V 4.4177 7.5889 119.3060 65.5322 31.2271 178.1059 24 Q 4.1419 8.0489 118.9237 58.8762 28.5321 178.5581 25 T 3.8796 8.1652 115.2695 66.4692 68.5568 175.7413 26 A 4.4525 7.9614 121.9217 54.4170 18.7945 179.3014 27 S 4.3616 8.3872 113.7036 60.3012 62.7205 175.7051 28 K 4.1380 7.6885 119.1378 57.2338 32.9269 176.1324 29 Y 5.0475 7.0071 115.3275 55.1163 40.8527 175.6271 30 D 4.3752 9.2540 122.9659 57.2066 41.2019 176.6988 31 A 4.1992 8.6489 121.7009 51.9491 18.9898 176.9660 32 D 4.3615 8.5803 123.0504 55.4447 42.0174 175.9163 33 V 4.5994 8.2487 124.1239 61.3287 33.2155 174.7215 34 N 5.3995 8.3273 124.1941 51.5193 42.4619 173.2928 35 L 4.8622 9.3042 121.6024 54.0445 45.5176 174.1296 36 E 5.0150 8.9367 127.4647 54.8796 33.0286 174.0635 37 Y 4.9073 9.5310 125.9531 57.5967 42.6019 174.3879 38 N 3.7428 9.2877 122.8529 53.6256 37.9759 172.8199 39 G 3.4692 7.9385 109.6174 45.2140 0.0000 174.1998 40 K 4.7392 7.9623 119.8613 55.3005 35.5331 175.5036 41 T 5.1466 8.4701 118.0991 62.0519 70.9386 173.8916 42 V 4.5547 9.5111 119.1211 59.0328 36.1838 174.5589 43 N 4.7050 8.6811 121.4208 53.5996 38.8314 174.7081 44 L 4.0397 8.9117 129.6184 56.3306 43.0423 177.1514 45 K 5.0654 8.2236 120.2196 54.9243 30.9403 176.0101 *47 I 4.2350 7.4923 123.5936 61.6770 39.8292 178.4508 48 M 4.1118 8.1933 119.3623 58.5916 31.5005 178.5549 49 G 3.6469 8.0443 103.7574 47.9110 0.0000 175.0043 50 V 3.7230 7.6839 120.2443 65.8918 31.6997 177.8298 51 M 4.2694 8.0605 118.3678 58.0424 31.6359 178.2675 52 S 4.3798 8.0196 112.0683 59.7234 63.1801 175.8717 53 L 4.2197 7.4402 123.4203 56.7975 41.7017 178.1374 54 G 3.8436 7.8476 103.7077 45.3506 0.0000 171.8178 55 I 2.6215 6.9266 122.0310 60.6121 36.3616 175.0502 56 A 4.5677 7.9192 127.5669 50.1347 19.9140 177.0183 57 K 3.7073 8.3990 120.5366 58.2584 33.0088 176.2874 58 G 3.6207 9.5158 112.3857 45.4024 0.0000 172.2183 59 A 4.8568 7.3017 119.3293 50.7948 23.6703 176.1351 60 E 5.8960 9.0543 118.5470 54.2623 31.7966 175.6521 61 I 5.0514 8.2873 114.9833 60.0072 41.6611 173.5230 62 T 4.9217 8.7724 119.7280 62.0840 71.4487 173.5966 63 I 4.9525 8.5045 124.5306 58.6061 39.2085 175.4808 64 S 4.7855 8.5271 122.4366 56.8131 66.0063 172.5844 65 A 5.0703 7.9253 116.6707 51.8010 21.0662 176.1165 66 S 4.4831 9.0254 117.3066 56.3093 66.0763 173.3051 67 G 4.0729 9.2998 110.8250 44.1524 0.0000 171.6560 68 A 3.8033 8.7496 124.1359 55.7959 17.8741 179.3821 69 D 4.7099 8.7553 117.9668 51.1405 38.7997 177.6501 70 E 4.1892 7.8298 118.2892 57.7663 30.9339 177.6834 71 N 4.5358 7.4190 117.9574 55.3369 39.5762 175.7077 72 D 4.3492 7.9626 120.1775 56.6647 39.2482 178.4869 73 A 2.5845 7.0326 118.9678 54.4402 18.3459 178.8895 74 L 3.8424 7.7550 117.5663 58.5094 41.9398 178.9697 75 N 4.2929 7.9361 115.2473 56.5560 38.4533 176.7176 76 A 4.0064 7.7600 121.8394 55.3721 18.4631 179.2884 77 L 3.8977 8.1300 116.2763 58.1721 41.9000 179.9188 78 E 4.2397 8.3748 118.0800 59.6755 29.2331 179.3388 79 E 4.1491 8.2369 117.6832 59.5877 29.7897 179.3808 80 T 4.5494 8.0461 117.3237 66.5699 68.5655 176.5360 81 M 3.9036 8.3880 121.2360 58.0396 31.7972 178.3864 82 K 4.3266 7.7851 116.5634 58.1795 33.7426 178.2451 83 S 4.4992 8.0705 114.1794 59.4572 62.8610 174.5784 84 E 4.3666 7.5782 121.6846 54.9198 30.6101 175.4880 85 G 4.0925 7.7053 104.1902 46.9664 0.0000 174.3554 86 L 5.1935 8.9807 112.1164 54.2631 43.0541 178.3405 87 G 4.1473 8.6566 103.4461 45.0214 0.0000 174.2785 88 E 4.3974 8.4975 117.4471 56.3256 29.9407 176.3164 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 2 A 8.12 4.37 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 3 Q 7.73 4.38 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 4 K 8.53 4.40 0.00 1.93 1.83 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.95 0.94 7.81 5 T 8.53 5.40 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 1.30 0.00 0.00 6 F 8.85 4.89 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 7 K 8.47 5.67 0.00 1.81 1.94 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.34 7.81 8 V 8.43 3.82 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 0.78 0.00 0.00 1.04 0.00 0.00 9 T 8.65 4.26 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 1.37 0.00 0.00 10 A 7.43 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 11 D 8.98 4.43 0.00 2.68 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 12 S 8.01 4.20 0.00 3.99 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 13 G 7.74 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 0.00 0.00 0.00 14 I 7.57 4.10 1.64 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 1.14 0.72 0.79 0.00 0.00 15 H 7.16 4.73 0.00 3.09 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.73 3.46 1.25 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 0.00 0.00 0.00 17 R 8.66 4.04 0.00 1.90 1.99 0.00 3.22 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 18 P 0.00 4.18 0.00 2.13 2.12 0.00 3.64 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 2.12 2.18 0.00 19 A 8.34 3.98 1.38 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 0.00 0.00 20 T 8.15 3.72 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 1.20 0.00 0.00 21 V 7.85 3.55 2.18 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 0.98 0.00 0.00 1.01 0.00 0.00 22 L 7.61 3.86 0.00 1.69 1.80 0.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.59 4.42 2.16 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 0.89 0.00 0.00 0.95 0.00 0.00 24 Q 8.05 4.14 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 25 T 8.17 3.88 4.40 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 1.33 0.00 0.00 26 A 7.96 4.45 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.36 0.00 3.82 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 28 K 7.69 4.14 0.00 1.06 1.61 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.41 7.81 29 Y 7.01 5.05 0.00 3.03 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 30 D 9.25 4.38 0.00 2.82 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 31 A 8.65 4.20 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 32 D 8.58 4.36 0.00 2.64 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 33 V 8.25 4.60 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 1.32 0.00 0.00 1.09 0.00 0.00 34 N 8.33 5.40 0.00 2.55 2.71 0.00 0.00 6.03 6.62 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 35 L 9.30 4.86 0.00 1.66 1.57 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.94 5.01 0.00 2.09 1.79 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 2.35 2.38 0.00 37 Y 9.53 4.91 0.00 2.97 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 38 N 9.29 3.74 0.00 1.44 2.45 0.00 0.00 7.21 7.98 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 39 G 7.94 3.47 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 0.00 0.00 0.00 0.00 40 K 7.96 4.74 0.00 1.86 1.93 0.00 1.31 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.59 7.81 41 T 8.47 5.15 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 1.27 0.00 0.00 42 V 9.51 4.55 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 0.98 0.00 0.00 43 N 8.68 4.70 0.00 2.74 2.76 0.00 0.00 6.97 7.78 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 44 L 8.91 4.04 0.00 1.68 1.64 0.93 0.41 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 45 K 8.22 5.07 0.00 1.94 1.77 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.39 7.81 *47 I 7.49 4.24 1.86 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 1.40 0.95 0.90 0.00 0.00 48 M 8.19 4.11 0.00 2.05 2.12 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 2.69 2.61 0.00 49 G 8.04 3.65 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 0.00 0.00 0.00 50 V 7.68 3.72 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 0.84 0.00 0.00 0.90 0.00 0.00 51 M 8.06 4.27 0.00 2.13 2.15 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 2.79 2.55 0.00 52 S 8.02 4.38 0.00 4.03 4.08 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 53 L 7.44 4.22 0.00 1.78 1.50 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.85 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 55 I 6.93 2.62 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.35 0.67 0.00 0.00 56 A 7.92 4.57 1.29 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 57 K 8.40 3.71 0.00 2.02 1.76 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.49 7.81 58 G 9.52 3.62 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 0.00 0.00 0.00 59 A 7.30 4.86 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 60 E 9.05 5.90 0.00 1.88 1.91 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 2.26 2.14 0.00 61 I 8.29 5.05 2.01 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 1.45 0.70 1.11 0.00 0.00 62 T 8.77 4.92 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 1.31 0.00 0.00 63 I 8.50 4.95 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 2.14 0.91 0.00 0.00 64 S 8.53 4.79 0.00 3.91 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 65 A 7.93 5.07 1.23 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 0.00 0.00 66 S 9.03 4.48 0.00 3.86 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 67 G 9.30 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 0.00 0.00 0.00 68 A 8.75 3.80 1.25 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 0.00 0.00 0.00 69 D 8.76 4.71 0.00 3.20 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 70 E 7.83 4.19 0.00 2.27 2.17 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 2.34 2.27 0.00 71 N 7.42 4.54 0.00 2.74 2.72 0.00 0.00 6.92 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 72 D 7.96 4.35 0.00 2.93 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 73 A 7.03 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.76 3.84 0.00 1.81 1.69 1.03 0.66 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 75 N 7.94 4.29 0.00 3.04 3.01 0.00 0.00 6.92 7.46 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 76 A 7.76 4.01 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.13 3.90 0.00 1.70 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.37 4.24 0.00 2.41 2.16 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 2.91 2.73 0.00 79 E 8.24 4.15 0.00 2.08 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 0.00 2.37 2.69 0.00 80 T 8.05 4.55 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 1.20 0.00 0.00 81 M 8.39 3.90 0.00 1.82 2.32 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.49 0.00 82 K 7.79 4.33 0.00 2.07 2.13 0.00 1.35 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.57 7.81 83 S 8.07 4.50 0.00 4.10 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 0.00 84 E 7.58 4.37 0.00 1.97 1.87 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 2.15 2.31 0.00 85 G 7.71 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 0.00 0.00 0.00 86 L 8.98 5.19 0.00 1.70 1.55 0.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.66 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 88 E 8.50 4.40 0.00 1.90 1.80 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 2.22 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.