NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6354 8.4201 119.2049 53.4038 40.8402 175.2034 0 A 3.9231 7.9504 119.6185 53.4104 18.8757 176.0164 1 A 4.3233 8.5097 119.5904 51.8043 20.4069 175.0516 2 I 4.4030 8.0551 121.4637 60.5205 38.9123 175.0980 3 E 4.5950 9.2894 126.3295 54.9182 31.2989 175.0107 4 V 4.9113 8.3822 124.5604 61.0730 33.7934 174.2777 5 E 4.7434 8.9896 127.7298 54.6087 33.4244 173.8371 6 K 4.8017 8.6565 127.4780 56.0505 33.4250 175.3355 7 N 5.0906 9.0621 122.8871 51.1076 40.4236 174.5217 8 N 4.3966 8.7399 114.2770 55.5642 37.7810 176.1221 9 K 4.2382 8.9289 118.7102 56.6642 33.5716 176.8253 10 G 4.1053 6.6425 107.1022 46.5061 0.0000 172.0752 11 I 4.5462 7.8837 126.3018 59.6964 39.0250 174.6932 12 N 4.9694 9.2493 127.7669 52.8781 40.4348 173.6559 13 L 5.2733 9.4315 127.0984 53.2822 43.9471 175.3272 14 S 5.2457 9.1693 120.2724 56.5781 65.8474 173.3778 15 F 5.2020 7.9413 116.8177 56.2074 41.7527 172.0981 16 D 5.3105 8.7794 117.6467 51.6523 42.0232 174.9800 17 I 4.5861 8.5131 122.6256 59.2401 40.5101 174.6111 18 E 4.3110 9.8294 127.9424 56.3172 30.1480 175.9297 19 F 5.1104 8.3669 123.3996 55.4354 41.8235 175.5807 20 Y 4.3131 8.3946 119.3459 57.2707 39.0905 174.2443 21 P 4.4032 0.0000 0.0000 64.7351 31.7977 175.7751 22 N 4.2167 9.0010 118.3590 54.0820 36.2330 173.4389 23 S 4.6950 7.9363 110.5932 56.6480 65.6221 173.1473 24 F 4.6620 7.7332 115.2064 56.3320 38.2098 174.7584 25 Q 4.5568 8.1173 123.4795 55.2842 29.6277 174.7969 26 I 3.8159 8.3697 126.7665 60.3674 38.0430 175.9499 27 L 3.8832 7.7170 125.3880 54.5192 42.2673 177.8038 28 Q 4.1884 9.0775 123.7611 59.5789 28.6604 179.3038 29 K 4.1326 7.8721 117.0137 59.1361 33.1139 177.9642 30 E 4.0370 7.9426 119.6207 58.1729 29.4349 178.0675 31 Y 3.8390 7.4147 117.1779 60.5929 37.9109 178.1950 32 K 4.1120 8.0362 120.3905 59.2653 32.3150 178.6158 33 K 3.8783 7.8773 119.4940 59.6175 32.2202 178.7960 34 I 3.6749 7.5764 119.6091 64.2558 36.9501 178.1276 35 D 4.5440 8.4566 120.3869 57.1782 40.7116 178.5541 36 L 3.9405 7.8344 120.3991 58.1975 42.0726 178.8611 37 I 3.5994 7.6254 119.5572 64.5499 36.9517 178.1692 38 A 4.0155 8.4160 121.7336 55.1429 17.9345 179.8155 39 K 4.0928 7.8777 116.1708 59.5444 32.5073 179.3496 40 L 4.2576 7.8620 118.7558 57.9256 41.6313 179.5530 41 L 4.1518 8.2383 119.0915 57.7982 41.2974 179.0832 42 E 3.9900 8.3248 118.1113 59.6368 29.5271 179.2053 43 K 4.1862 7.9601 115.7441 57.0796 34.0487 178.2466 44 F 4.5868 7.8684 120.7493 55.5483 35.7921 176.1886 45 K 4.1263 7.7715 120.2853 59.6786 33.1783 179.5654 46 K 4.2092 7.9223 116.9712 57.6780 32.5760 177.0704 47 N 4.5777 7.5260 115.4343 53.0752 39.0451 174.6835 48 N 4.9710 8.5259 119.3466 52.9980 40.5066 173.8999 49 I 4.8105 8.8623 113.9067 59.0548 41.6429 173.8047 50 L 5.0298 8.5463 125.1320 53.3627 44.8188 174.9167 51 I 4.9782 8.8022 127.3311 59.5926 40.0482 174.2475 52 E 5.1746 9.4806 127.2534 54.5600 32.3508 175.6320 53 G 4.4833 9.1716 111.9355 45.0769 0.0000 171.9086 54 H 5.6739 8.5465 116.4996 54.2322 33.0990 172.5917 55 T 4.5986 8.8047 110.8607 60.2819 71.7513 174.2752 56 E 4.2072 8.4833 119.4680 57.1934 31.8492 177.2599 57 Q 4.0392 7.7701 118.3862 56.2756 29.8858 176.5990 58 F 4.3510 8.4852 124.4703 56.1783 37.5320 175.2240 59 G 4.0490 7.4643 112.1493 43.5869 0.0000 170.9523 60 L 4.1445 8.2485 118.5002 54.7559 42.1591 178.4207 61 E 4.0440 8.9282 122.7193 59.5971 29.8925 178.2358 62 E 4.0415 8.2415 119.1582 59.2142 30.1105 178.4352 63 E 4.1524 8.2216 114.7563 57.2486 29.3239 178.9387 65 H 3.5822 8.5278 113.4928 57.9847 31.4625 175.9423 66 E 3.7682 8.2413 122.1604 59.2166 29.3712 178.4063 67 L 3.9128 7.9200 120.4282 58.2783 42.0174 179.1243 68 S 4.0100 7.8632 113.6205 61.3861 62.8851 175.9136 69 E 3.8136 8.1889 123.0685 58.8926 29.3067 178.9717 70 K 3.6261 8.0900 118.6651 58.9551 31.8228 179.7111 71 R 3.8281 7.8513 118.5185 59.0969 29.8874 178.6566 72 A 4.1850 7.8048 120.0861 55.5419 18.4064 179.9524 73 R 3.4111 8.2358 116.3724 59.0188 29.8471 179.0488 74 A 4.1762 8.3318 120.8353 55.3137 18.4589 179.8154 75 I 4.0180 8.0148 117.9671 64.5974 37.2019 178.8301 76 G 4.0351 8.6993 106.7331 48.2169 0.0000 175.3109 77 N 4.4447 9.0234 119.3994 56.2375 38.3063 176.9274 78 Y 4.1507 7.8426 120.1343 60.7446 39.2551 177.5358 79 L 4.0919 8.1588 119.8783 57.6909 41.4403 179.5736 80 I 4.1000 7.8599 120.6119 63.5700 37.2617 180.6480 81 K 4.0387 7.7904 119.3213 55.9685 32.2265 176.8415 *83 K 4.2332 7.9652 113.8214 55.9575 33.4818 177.5451 84 V 4.0492 7.7266 114.3005 62.4885 32.3634 176.8437 85 K 4.8044 7.5545 117.3529 54.6511 36.1339 175.1993 86 D 4.8525 9.3518 121.7967 52.6893 42.3308 178.1478 87 K 4.0455 8.5356 119.9436 60.0219 32.7097 178.9142 88 D 4.3690 8.2254 118.5027 56.9261 40.9798 176.7976 89 Q 4.8001 8.1828 116.0167 54.8537 30.2497 175.1104 90 I 4.6877 7.3899 121.0980 59.3288 39.3939 175.0411 91 L 4.4867 8.6376 127.8589 53.3729 43.6403 175.6132 92 F 5.3316 8.6805 121.2160 55.5492 41.7239 174.5948 93 K 4.4039 9.3953 124.9898 54.4396 35.3000 174.7309 94 G 4.3450 8.4095 114.0424 43.6157 0.0000 173.2357 95 W 4.7648 9.1248 123.5760 55.5028 30.9614 177.7991 96 G 3.7190 7.4735 109.1560 47.3942 0.0000 174.7555 97 S 5.0376 8.4798 118.5607 57.6112 62.7345 174.8342 98 Q 4.3931 8.2348 120.9391 57.1329 29.0703 176.4101 99 K 4.0650 8.0834 114.0933 57.6445 34.0876 177.0358 *110 A 4.3823 7.8241 118.7732 52.0896 20.5336 177.6788 111 K 4.2473 7.8106 113.7393 58.3393 33.3276 177.2476 112 N 4.8125 8.1839 118.1313 53.8827 38.9681 174.6234 113 R 4.8085 9.0617 122.2977 54.0846 34.5244 175.1251 114 R 4.4704 8.5997 121.5061 56.3212 31.0935 176.2277 115 V 4.6468 8.1757 122.5766 61.0779 35.3668 173.9005 116 E 5.0395 8.8268 125.1445 54.5529 33.5910 174.8394 117 I 5.0984 8.9945 123.4739 59.9410 41.1050 174.3555 118 T 4.8806 8.9116 124.1614 61.7792 71.0284 173.8859 119 I 4.1234 8.7018 128.5612 60.5308 37.6915 175.3674 120 L 4.6001 8.4945 128.3419 53.9296 42.5728 177.5442 121 N 4.4559 8.6007 119.0669 53.9601 38.5764 174.8284 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 N 8.42 4.64 0.00 2.69 2.91 0.00 0.00 6.99 7.08 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 A 7.95 3.92 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 1 A 8.51 4.32 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 2 I 8.06 4.40 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.98 0.00 0.00 3 E 9.29 4.60 0.00 2.03 1.88 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 2.27 2.27 0.00 4 V 8.38 4.91 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 0.77 0.00 0.00 0.95 0.00 0.00 5 E 8.99 4.74 0.00 2.05 1.70 0.00 0.00 0.00 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 2.25 0.00 6 K 8.66 4.80 0.00 1.81 1.68 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.61 7.81 7 N 9.06 5.09 0.00 2.88 2.88 0.00 0.00 6.72 6.60 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 8 N 8.74 4.40 0.00 2.84 3.01 0.00 0.00 5.93 7.13 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 9 K 8.93 4.24 0.00 2.02 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.39 7.81 10 G 6.64 4.11 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 0.00 0.00 0.00 11 I 7.88 4.55 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.80 0.00 0.00 12 N 9.25 4.97 0.00 2.80 2.80 0.00 0.00 6.63 6.63 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 13 L 9.43 5.27 0.00 1.84 1.73 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.17 5.25 0.00 3.76 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 15 F 7.94 5.20 0.00 3.20 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 16 D 8.78 5.31 0.00 2.64 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 17 I 8.51 4.59 1.69 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.06 0.00 0.00 18 E 9.83 4.31 0.00 1.68 1.65 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 2.37 2.39 0.00 19 F 8.37 5.11 0.00 2.93 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 20 Y 8.39 4.31 0.00 2.99 2.84 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 21 P 0.00 4.40 0.00 2.08 2.06 0.00 4.03 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 2.11 2.20 0.00 22 N 9.00 4.22 0.00 2.83 2.88 0.00 0.00 6.76 7.57 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 23 S 7.94 4.70 0.00 3.74 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 24 F 7.73 4.66 0.00 3.21 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 25 Q 8.12 4.56 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 26 I 8.37 3.82 1.47 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 0.13 0.00 0.00 27 L 7.72 3.88 0.00 1.39 1.32 -0.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 9.08 4.19 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 29 K 7.87 4.13 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 30 E 7.94 4.04 0.00 1.57 1.69 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 2.02 2.26 0.00 31 Y 7.41 3.84 0.00 2.87 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 32 K 8.04 4.11 0.00 1.88 1.79 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.56 7.81 33 K 7.88 3.88 0.00 1.77 1.84 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.42 7.81 34 I 7.58 3.67 1.99 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.37 1.16 0.00 0.00 35 D 8.46 4.54 0.00 2.97 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 36 L 7.83 3.94 0.00 1.77 1.80 0.92 0.67 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 37 I 7.63 3.60 1.91 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.09 0.85 0.00 0.00 38 A 8.42 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.88 4.09 0.00 2.02 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 40 L 7.86 4.26 0.00 1.91 1.81 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.24 4.15 0.00 1.73 1.77 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.32 3.99 0.00 2.20 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 2.36 2.57 0.00 43 K 7.96 4.19 0.00 1.87 1.64 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.58 7.81 44 F 7.87 4.59 0.00 3.06 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 45 K 7.77 4.13 0.00 1.86 1.95 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 46 K 7.92 4.21 0.00 1.80 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 47 N 7.53 4.58 0.00 2.83 2.92 0.00 0.00 7.02 7.88 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 48 N 8.53 4.97 0.00 2.63 2.78 0.00 0.00 6.60 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 49 I 8.86 4.81 1.83 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 1.05 1.21 0.89 0.00 0.00 50 L 8.55 5.03 0.00 1.74 1.51 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.80 4.98 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.48 1.12 0.00 0.00 52 E 9.48 5.17 0.00 2.01 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 0.00 2.35 2.32 0.00 53 G 9.17 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 54 H 8.55 5.67 0.00 2.97 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.80 4.60 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 1.14 0.00 0.00 56 E 8.48 4.21 0.00 1.89 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 0.00 2.15 2.21 0.00 57 Q 7.77 4.04 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.43 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 58 F 8.49 4.35 0.00 3.13 3.03 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 59 G 7.46 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 0.00 0.00 0.00 60 L 8.25 4.14 0.00 1.74 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.93 4.04 0.00 1.99 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 2.40 2.37 0.00 62 E 8.24 4.04 0.00 2.04 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 0.00 2.37 2.36 0.00 63 E 8.22 4.15 0.00 2.09 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 2.31 2.26 0.00 65 H 8.53 3.58 0.00 3.30 3.63 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.24 3.77 0.00 2.15 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 2.26 2.27 0.00 67 L 7.92 3.91 0.00 1.80 1.61 1.04 0.84 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 68 S 7.86 4.01 0.00 4.15 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 69 E 8.19 3.81 0.00 1.84 1.76 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 2.16 2.26 0.00 70 K 8.09 3.63 0.00 1.45 0.74 0.00 1.54 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.02 1.46 7.81 71 R 7.85 3.83 0.00 1.83 1.61 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 72 A 7.80 4.19 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 73 R 8.24 3.41 0.00 1.67 1.61 0.00 2.76 0.00 0.00 2.70 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 74 A 8.33 4.18 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 4.02 2.26 0.00 0.00 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 1.99 1.47 1.16 0.00 0.00 76 G 8.70 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 77 N 9.02 4.44 0.00 3.03 3.00 0.00 0.00 6.70 7.34 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 78 Y 7.84 4.15 0.00 3.12 3.36 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 0.00 79 L 8.16 4.09 0.00 2.01 1.75 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.86 4.10 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.94 0.00 0.00 81 K 7.79 4.04 0.00 1.84 1.83 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 *83 K 7.97 4.23 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 84 V 7.73 4.05 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 0.66 0.00 0.00 1.00 0.00 0.00 85 K 7.55 4.80 0.00 1.73 1.63 0.00 1.67 0.00 0.00 2.01 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.39 7.81 86 D 9.35 4.85 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.05 0.00 2.04 2.14 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.51 7.81 88 D 8.23 4.37 0.00 2.70 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 89 Q 8.18 4.80 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 90 I 7.39 4.69 1.54 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 1.11 0.70 -0.12 0.00 0.00 91 L 8.64 4.49 0.00 1.45 1.49 0.89 0.69 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 92 F 8.68 5.33 0.00 2.86 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 93 K 9.40 4.40 0.00 1.66 1.51 0.00 0.95 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.63 7.81 94 G 8.41 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 95 W 9.12 4.76 0.00 3.45 3.20 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 96 G 7.47 3.72 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 0.00 0.00 0.00 97 S 8.48 5.04 0.00 3.32 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 98 Q 8.23 4.39 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 99 K 8.08 4.06 0.00 1.49 1.49 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.31 7.81 *110 A 7.82 4.38 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 0.00 111 K 7.81 4.25 0.00 1.79 2.05 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.45 7.81 112 N 8.18 4.81 0.00 2.59 2.84 0.00 0.00 6.72 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 0.00 113 R 9.06 4.81 0.00 2.00 1.85 0.00 3.29 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 114 R 8.60 4.47 0.00 1.56 1.88 0.00 3.05 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 115 V 8.18 4.65 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 1.03 0.00 0.00 1.08 0.00 0.00 116 E 8.83 5.04 0.00 2.02 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 0.00 2.17 2.19 0.00 117 I 8.99 5.10 2.08 0.00 0.00 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 1.39 1.24 0.96 0.00 0.00 118 T 8.91 4.88 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 1.24 0.00 0.00 119 I 8.70 4.12 1.51 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.63 0.00 0.00 120 L 8.49 4.60 0.00 1.62 1.59 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.60 4.46 0.00 2.87 2.75 0.00 0.00 6.89 6.91 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 * Residues marked with a * may have inaccurate shift predictions.