NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8831 8.1400 114.8086 57.7091 64.7183 173.9917 2 L 3.9602 8.4928 122.1069 58.0290 41.5974 177.1703 3 L 4.0035 8.3715 118.9994 58.3431 41.9445 179.1912 4 E 4.0737 8.0572 117.4490 59.2369 29.4525 179.0417 5 F 4.7133 8.5758 120.9632 61.4476 39.5434 177.2282 6 G 3.6205 8.8041 105.6981 47.8831 0.0000 175.5074 7 K 4.0169 8.0180 121.7238 59.0908 32.2364 178.3882 8 M 4.0416 8.2703 118.6486 58.8846 32.0867 178.1709 9 I 3.5962 7.5508 119.6224 64.2437 37.2580 178.1418 10 L 4.4895 7.6708 122.1673 57.8867 41.7659 178.6614 11 E 4.0169 8.1939 117.3322 59.5646 29.4717 178.8486 12 E 4.1311 8.2098 118.4031 58.6893 29.9134 177.8848 13 T 4.5105 8.2512 107.3969 60.5153 70.6115 175.3968 14 G 3.7465 8.2022 110.0538 46.0648 0.0000 173.0362 *16 K 4.6187 7.4691 117.3353 55.9056 33.5227 175.0905 17 L 4.4520 8.1069 121.6987 54.0319 42.8957 177.8297 18 A 4.0174 8.8447 126.3196 54.9149 18.5480 177.3031 19 I 4.6975 7.6462 115.8224 59.4020 38.3874 173.9371 20 P 5.1091 0.0000 0.0000 61.8462 31.6288 176.4528 21 S 4.3505 7.8702 116.9541 61.0795 62.8294 174.9069 22 Y 4.7252 8.3831 116.2348 57.5207 38.4363 176.1652 23 S 4.9167 8.2447 114.4468 58.4620 64.7079 174.9596 24 S 4.7082 7.8244 115.9238 58.1873 63.5447 172.1976 25 Y 4.8033 7.9709 122.7881 58.1564 40.3030 175.3525 26 G 3.3711 7.8281 115.7897 47.1215 0.0000 173.7127 27 C 4.5746 9.5570 116.1984 57.6780 39.6317 174.7715 28 Y 4.3163 8.9736 115.7370 57.9379 38.7737 175.1006 29 C 4.4286 8.3258 118.4884 61.6702 28.9960 173.1423 30 G 4.2539 9.6863 119.8484 44.3838 0.0000 173.5069 31 W 4.7165 8.8975 130.0072 56.3778 31.3765 175.2777 32 G 3.9915 7.8717 107.0509 45.1517 0.0000 172.3438 33 G 4.0155 7.8472 108.3762 45.9499 0.0000 173.1223 34 K 4.4167 7.1561 116.3811 57.4808 34.9983 174.9206 35 G 4.3587 8.7154 106.8080 44.9376 0.0000 172.3608 36 T 4.3627 7.9856 114.7589 61.4585 69.5371 173.5712 37 P 4.6972 0.0000 0.0000 62.5624 31.9684 176.9791 38 K 3.9150 8.6274 121.5449 58.8302 32.6069 176.0985 39 D 4.4157 7.1381 115.6039 51.5984 41.7507 175.2772 40 A 3.9900 8.6640 119.6610 56.0849 18.4477 179.8520 41 T 4.0256 8.0177 113.8133 67.0724 68.4963 176.1460 42 D 4.6042 8.8469 119.9510 57.2732 41.1787 178.5348 43 R 3.9634 8.0866 118.9549 59.1585 30.0037 177.9998 44 C 4.1324 8.3821 116.4652 60.5094 36.2020 176.1669 45 C 4.2226 8.1591 117.5899 62.6855 27.7039 175.8780 46 F 3.7577 8.4524 122.3971 61.3017 38.9445 177.4352 47 V 3.3057 8.0133 117.8937 65.9080 31.2806 177.4653 48 H 3.8059 8.2093 118.1512 59.2274 29.6149 176.8611 49 D 4.1764 8.3667 120.9237 57.6617 40.4087 178.3144 50 C 4.0347 7.5063 115.8294 59.8045 35.9241 175.0300 51 C 4.2735 8.4371 120.3854 59.9817 42.4049 175.2562 52 Y 4.2870 7.9082 118.3965 61.1270 37.1978 178.8555 53 G 3.6968 8.0705 105.8069 47.6186 0.0000 174.5021 54 N 4.8392 7.6686 115.7659 52.9523 39.6855 175.7395 55 L 4.7040 7.7289 121.4370 51.7094 42.4126 174.2331 56 P 4.2007 0.0000 0.0000 65.4597 32.0385 178.1567 *59 D 4.9572 7.8393 115.1583 54.3723 42.4106 175.4426 *61 C 5.1496 7.6447 116.1251 57.2913 41.4546 172.9359 *67 N 5.3952 7.9411 116.1455 52.8955 38.2646 173.7002 68 P 4.0647 0.0000 0.0000 64.3872 32.1126 178.8198 69 K 4.2425 7.9198 117.7762 57.7344 32.4978 178.3247 70 S 4.6104 7.8059 110.4304 58.0099 64.9687 173.8232 71 D 4.4653 8.2767 121.7055 53.9238 41.4531 175.3151 72 R 4.8096 8.6503 124.8016 53.9927 31.8313 174.7792 73 Y 4.9878 7.4744 118.3009 55.0933 41.4746 174.1412 74 K 4.9905 8.6509 117.7574 55.0156 35.6090 175.1951 75 Y 5.5145 8.2568 120.2443 55.7896 41.3602 173.5906 76 K 4.6332 9.2105 118.4131 55.3555 36.8427 174.9643 77 R 4.9301 8.5325 119.7001 54.9696 31.5888 176.7887 78 V 4.1782 8.5560 124.4972 61.5903 32.3841 176.5818 79 N 4.0327 8.3504 128.1292 54.3600 36.5712 177.6683 80 G 3.6881 8.8149 113.5790 48.4561 0.0000 173.4358 81 A 4.0882 7.8467 123.9241 52.1878 18.9669 176.1161 82 I 4.5675 8.2417 123.7534 60.7970 38.3907 175.5085 83 V 4.4069 8.9068 127.1750 61.0943 34.1072 173.7888 84 C 4.9139 8.8718 126.0406 56.9388 40.6999 173.6287 85 E 4.4998 9.0381 123.9706 55.0898 30.8126 176.3785 86 K 4.0879 8.4805 122.8709 56.4017 33.3059 175.7783 *88 G 4.1400 8.2965 115.2279 45.3990 0.0000 171.8546 89 T 4.2283 8.5147 113.1905 61.1603 71.3441 175.4445 90 S 4.0778 8.4320 114.2141 61.5743 62.3439 176.3546 91 C 4.2429 8.1474 118.8253 60.0605 40.6497 175.7368 92 E 3.9942 7.9191 120.1107 59.5399 29.0740 179.1905 93 N 4.2326 8.0594 116.3420 56.5247 38.6245 177.7988 94 R 3.9118 7.8291 118.9899 58.9576 30.1311 179.2446 95 I 3.5839 8.0966 120.1306 64.4609 37.1452 177.3755 96 C 3.1339 7.6969 119.3637 59.5187 38.4580 175.5065 97 E 3.7889 7.8914 119.8409 59.4761 29.0469 178.5071 98 C 4.0765 7.9794 116.4746 60.3002 41.0857 176.1550 99 D 3.8890 7.9796 120.0583 56.9954 40.4551 178.4652 100 K 3.6994 8.2847 120.3908 59.6318 32.0102 178.5307 101 A 3.8562 7.8127 120.3155 55.0382 18.3031 179.3800 102 A 3.4573 7.7497 118.9716 55.0923 18.3823 179.7284 103 A 3.9009 8.0912 119.3280 55.2194 18.3559 179.9879 104 I 3.5959 7.5629 118.1795 64.5847 37.0777 177.5476 105 C 4.0681 8.1903 119.6400 59.9085 43.1184 175.6283 106 F 4.4830 7.9083 117.9695 60.8160 38.6428 177.3400 107 R 4.0781 8.1172 118.2126 59.5328 29.6796 178.3652 108 Q 4.1150 8.4385 118.5746 58.0667 29.2152 176.2868 109 N 5.0219 7.7365 116.1721 52.7785 39.2522 176.2330 110 L 4.1623 7.8312 123.9900 58.1182 42.2669 179.0199 111 N 4.4737 8.2763 115.0621 55.3986 38.6562 175.5420 112 T 4.5015 7.7201 106.2813 60.9428 69.7584 174.0365 113 Y 4.1025 7.6967 125.0559 58.4184 39.3945 174.9593 114 S 4.7247 9.0120 121.2171 56.1789 65.3643 174.9422 115 K 4.1131 8.6886 126.4543 58.7415 32.1089 178.8385 116 K 3.8043 7.2728 118.1433 58.6024 32.2224 176.6577 117 Y 4.4292 7.3349 114.8634 57.9457 38.4202 175.5723 118 M 4.4516 7.4985 119.8485 56.2055 32.5151 175.6434 119 L 3.7214 8.3187 119.6076 55.5327 40.1776 174.5427 120 Y 4.1529 8.1285 118.5117 56.9097 39.3944 173.9108 121 P 4.4645 0.0000 0.0000 62.3236 32.5871 176.6685 122 D 4.2620 8.9162 120.7407 57.3423 41.2840 178.1665 *124 F 4.7639 7.8308 111.2905 56.5131 39.5445 175.4366 125 L 3.7190 6.8232 119.1558 55.2262 41.6851 175.8995 126 C 4.7173 8.0108 117.8652 55.4239 41.3827 173.1601 127 K 4.6327 8.4916 123.3617 55.6194 35.1518 175.7285 128 G 4.0821 7.8171 106.6650 43.7941 0.0000 172.1445 129 E 4.4251 8.3430 120.5155 54.3246 31.3196 175.0864 130 L 4.5412 8.3867 127.9917 53.1478 44.1603 175.6113 131 K 4.2165 8.5580 126.2133 56.1631 33.0408 177.9715 *133 C 4.4903 8.6686 119.5081 57.3636 41.5270 173.6852 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 S 8.14 4.88 0.00 4.21 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 2 L 8.49 3.96 0.00 2.03 1.82 1.11 0.62 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 3 L 8.37 4.00 0.00 1.81 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.06 4.07 0.00 1.88 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 1.74 2.28 0.00 5 F 8.58 4.71 0.00 3.32 3.28 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 6 G 8.80 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 7 K 8.02 4.02 0.00 1.89 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.52 7.81 8 M 8.27 4.04 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.50 0.00 9 I 7.55 3.60 1.78 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 1.18 0.04 0.60 0.00 0.00 10 L 7.67 4.49 0.00 1.77 1.83 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.19 4.02 0.00 2.18 2.07 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 2.40 2.61 0.00 12 E 8.21 4.13 0.00 2.27 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 2.32 2.43 0.00 13 T 8.25 4.51 4.25 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 1.21 0.00 0.00 14 G 8.20 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 *16 K 7.47 4.62 0.00 1.92 1.69 0.00 1.52 0.00 0.00 1.01 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.27 7.81 17 L 8.11 4.45 0.00 1.77 1.65 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.84 4.02 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 19 I 7.65 4.70 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.93 0.00 0.00 20 P 0.00 5.11 0.00 2.17 2.11 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 21 S 7.87 4.35 0.00 3.83 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 22 Y 8.38 4.73 0.00 2.68 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 23 S 8.24 4.92 0.00 4.07 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 0.00 24 S 7.82 4.71 0.00 4.02 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 25 Y 7.97 4.80 0.00 3.24 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.83 3.37 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 0.00 0.00 0.00 0.00 27 C 9.56 4.57 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 4.32 0.00 3.46 3.14 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 29 C 8.33 4.43 0.00 3.41 3.34 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 30 G 9.69 4.25 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 0.00 31 W 8.90 4.72 0.00 3.29 3.38 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 32 G 7.87 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 33 G 7.85 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 34 K 7.16 4.42 0.00 1.87 1.79 0.00 1.22 0.00 0.00 2.35 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.48 7.81 35 G 8.72 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 0.00 0.00 0.00 0.00 36 T 7.99 4.36 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 1.14 0.00 0.00 37 P 0.00 4.70 0.00 1.93 1.99 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 38 K 8.63 3.92 0.00 0.79 1.00 0.00 1.58 0.00 0.00 1.20 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 0.25 7.81 39 D 7.14 4.42 0.00 2.76 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 40 A 8.66 3.99 1.41 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 0.00 0.00 41 T 8.02 4.03 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 1.03 0.00 0.00 42 D 8.85 4.60 0.00 2.95 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 43 R 8.09 3.96 0.00 2.12 1.97 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 44 C 8.38 4.13 0.00 3.30 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 45 C 8.16 4.22 0.00 3.46 3.38 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 46 F 8.45 3.76 0.00 2.52 3.01 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 47 V 8.01 3.31 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 0.66 0.00 0.00 1.02 0.00 0.00 48 H 8.21 3.81 0.00 3.14 3.33 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 49 D 8.37 4.18 0.00 2.70 2.61 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 0.00 0.00 0.00 50 C 7.51 4.03 0.00 2.75 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.44 4.27 0.00 2.91 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 52 Y 7.91 4.29 0.00 3.09 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 53 G 8.07 3.70 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 0.00 54 N 7.67 4.84 0.00 2.85 2.82 0.00 0.00 6.78 7.84 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 55 L 7.73 4.70 0.00 1.47 1.49 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 2.15 2.08 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.84 4.96 0.00 2.74 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 *61 C 7.64 5.15 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 5.40 0.00 2.74 2.78 0.00 0.00 7.62 8.03 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 68 P 0.00 4.06 0.00 0.86 0.77 0.00 3.33 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.52 0.00 69 K 7.92 4.24 0.00 1.88 1.90 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.61 7.81 70 S 7.81 4.61 0.00 3.93 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 71 D 8.28 4.47 0.00 2.67 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 72 R 8.65 4.81 0.00 1.80 1.76 0.00 3.24 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.50 0.00 73 Y 7.47 4.99 0.00 3.10 3.01 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 74 K 8.65 4.99 0.00 1.74 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.37 7.81 75 Y 8.26 5.51 0.00 3.15 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 76 K 9.21 4.63 0.00 1.78 1.87 0.00 1.30 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.42 7.81 77 R 8.53 4.93 0.00 1.75 2.15 0.00 3.39 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 78 V 8.56 4.18 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 79 N 8.35 4.03 0.00 2.91 2.44 0.00 0.00 7.15 7.65 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 80 G 8.81 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 81 A 7.85 4.09 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 82 I 8.24 4.57 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.81 0.00 0.00 83 V 8.91 4.41 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 1.01 0.00 0.00 0.97 0.00 0.00 84 C 8.87 4.91 0.00 2.87 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 85 E 9.04 4.50 0.00 1.90 1.92 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 2.39 2.50 0.00 86 K 8.48 4.09 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.30 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 0.00 0.00 0.00 89 T 8.51 4.23 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 1.27 0.00 0.00 90 S 8.43 4.08 0.00 3.89 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 91 C 8.15 4.24 0.00 2.99 3.09 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 92 E 7.92 3.99 0.00 2.26 2.10 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 2.63 2.61 0.00 93 N 8.06 4.23 0.00 2.86 2.82 0.00 0.00 7.09 7.72 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 94 R 7.83 3.91 0.00 1.83 1.91 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 95 I 8.10 3.58 1.86 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 1.18 0.90 0.98 0.00 0.00 96 C 7.70 3.13 0.00 1.63 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 97 E 7.89 3.79 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 98 C 7.98 4.08 0.00 3.19 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 99 D 7.98 3.89 0.00 2.77 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 0.00 100 K 8.28 3.70 0.00 1.63 1.93 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 101 A 7.81 3.86 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 0.00 102 A 7.75 3.46 1.03 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 0.00 103 A 8.09 3.90 1.36 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 0.00 0.00 104 I 7.56 3.60 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.88 0.00 0.00 105 C 8.19 4.07 0.00 2.91 2.94 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 0.00 106 F 7.91 4.48 0.00 2.98 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 0.00 107 R 8.12 4.08 0.00 1.96 2.10 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.44 4.11 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.74 5.02 0.00 2.83 2.85 0.00 0.00 6.48 7.25 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 0.00 110 L 7.83 4.16 0.00 2.03 1.71 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.28 4.47 0.00 2.80 2.91 0.00 0.00 6.79 7.54 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 0.00 112 T 7.72 4.50 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 1.27 0.00 0.00 113 Y 7.70 4.10 0.00 2.97 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 0.00 114 S 9.01 4.72 0.00 3.90 3.80 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 0.00 115 K 8.69 4.11 0.00 1.87 1.86 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.60 7.81 116 K 7.27 3.80 0.00 1.50 1.41 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 1.05 7.81 117 Y 7.33 4.43 0.00 1.76 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 0.00 0.00 0.00 118 M 7.50 4.45 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 119 L 8.32 3.72 0.00 1.81 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.13 4.15 0.00 3.06 3.01 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 0.00 121 P 0.00 4.46 0.00 2.39 2.26 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 122 D 8.92 4.26 0.00 2.83 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 *124 F 7.83 4.76 0.00 3.21 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 0.00 125 L 6.82 3.72 0.00 1.06 1.49 0.24 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.01 4.72 0.00 3.09 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 0.00 127 K 8.49 4.63 0.00 1.89 1.85 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.44 7.81 128 G 7.82 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 0.00 0.00 0.00 129 E 8.34 4.43 0.00 1.89 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 2.21 2.23 0.00 130 L 8.39 4.54 0.00 1.39 1.23 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.56 4.22 0.00 1.83 1.76 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.63 7.81 *133 C 8.67 4.49 0.00 2.92 2.94 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 * Residues marked with a * may have inaccurate shift predictions.