NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6847 8.2827 119.2062 53.2006 40.2291 175.0794 3 I 3.5930 8.1171 123.7259 63.1963 38.5363 175.9951 4 G 3.9407 9.3699 109.5283 46.7235 0.0000 174.5771 5 D 4.5667 7.6683 119.1189 56.5403 41.1616 177.9020 6 L 4.1031 7.4758 117.4124 56.7465 41.8140 177.2200 7 L 4.5295 7.9954 117.7325 51.9480 42.5121 177.2126 8 G 4.7058 8.6959 124.7397 46.8447 0.0000 172.0549 *12 A 4.1208 7.2933 121.8130 51.5869 19.7130 176.5099 13 K 4.1114 8.6656 120.8990 59.4528 32.4187 177.8392 14 D 4.9188 7.8458 116.3395 54.3950 41.3168 176.0146 15 Q 4.4928 7.4429 116.0220 55.3080 32.6660 175.0374 16 G 3.9088 8.9250 107.1796 46.5272 0.0000 172.0894 17 C 5.0080 7.8618 111.9972 53.1041 46.2282 172.6934 18 S 4.7287 8.2336 114.6661 57.0553 63.1911 174.4553 19 R 4.5735 8.4429 123.7736 55.7502 30.9716 175.4200 20 T 4.4958 7.6131 107.6241 59.7536 71.4076 173.4343 21 C 4.1876 8.4176 121.4807 56.5005 39.3015 173.2054 22 E 4.4758 8.8931 124.8089 55.7406 31.0721 176.9108 23 S 4.9098 8.0279 114.0842 57.6635 63.2459 172.6588 24 Q 4.3719 9.0373 126.9501 55.2796 32.6931 175.4109 25 F 4.0492 8.0676 122.8138 58.1251 36.7076 177.8622 26 C 4.1600 8.4395 118.3850 59.8990 40.3283 175.5295 27 T 4.3313 7.9548 105.5302 61.1167 69.2170 173.8945 28 I 4.2245 7.8517 124.4958 59.5408 36.9698 175.8653 29 A 4.0235 8.7230 129.3932 54.8281 18.2516 178.0812 30 P 4.4108 0.0000 0.0000 64.6494 31.4705 177.1392 31 L 4.4162 6.9909 115.8928 53.8159 43.0535 176.4083 32 L 4.3994 7.8845 121.8867 56.1305 43.1364 176.1719 33 R 4.6243 9.2034 124.1883 54.6423 34.1082 173.5777 34 Y 4.9206 8.9426 125.6288 56.4899 42.0179 175.1770 35 G 3.5975 8.7940 115.3709 46.7724 0.0000 174.9920 36 K 4.2807 9.0753 118.4883 55.8249 33.3589 176.4792 37 Y 4.5075 8.5320 114.2429 57.9846 40.3875 175.0934 38 C 4.6617 8.9133 118.5237 56.4624 40.4647 172.1140 39 G 4.7515 8.4922 112.0939 44.1225 0.0000 172.2083 40 I 3.8484 7.9207 123.5066 62.2971 38.0326 176.4213 41 L 3.6387 8.6266 124.5498 55.2321 38.8436 175.0791 42 Y 4.6524 7.4815 118.3291 56.5638 41.6091 172.8173 43 S 4.2657 7.7995 120.7407 56.5830 66.3742 173.0194 44 G 3.3544 7.2714 110.7591 45.1625 0.0000 174.3708 45 C 4.6039 8.5393 119.1561 55.7031 41.6223 171.7769 46 P 4.4355 0.0000 0.0000 64.7425 31.2512 177.0098 47 G 4.0126 9.0133 110.9663 45.3819 0.0000 173.3978 48 E 4.1075 8.0443 120.3788 56.0053 29.7409 177.0163 49 R 4.2362 8.4843 121.2842 54.8744 30.5058 174.7762 50 P 4.8214 0.0000 0.0000 63.1345 32.0054 177.1342 51 C 4.4442 9.5397 117.9297 59.4554 41.6809 173.0352 52 D 4.5205 7.6710 116.5711 51.5903 41.5768 175.4433 53 A 4.0382 8.7426 119.8236 55.4988 18.3361 179.5280 54 L 3.9045 8.0784 118.3416 58.4505 42.2181 178.5002 55 D 4.5930 9.2044 118.1664 57.3810 41.2468 178.0523 56 A 3.9198 8.2936 121.3584 55.2336 18.4106 178.8769 57 C 4.2282 8.1780 114.9188 60.5734 38.8713 175.8460 58 C 4.2945 8.1937 117.7027 59.9901 35.1491 175.7400 59 M 3.3894 8.1661 120.1431 58.4153 31.6029 178.4417 60 V 3.5156 7.5288 117.9355 66.2215 31.6438 177.3278 61 H 4.1041 8.1279 117.7685 59.4255 29.7983 176.7337 62 D 4.3994 8.4987 120.9364 57.9495 40.7406 178.7097 63 H 4.1683 8.1304 116.3854 58.8312 28.4416 176.9462 64 C 4.2723 8.2900 119.8354 59.7938 37.8950 175.5735 65 V 3.6773 7.9732 119.9005 66.0475 30.9011 177.3687 66 D 4.6394 8.0989 118.0488 56.6853 41.1753 177.5151 67 T 4.3119 7.8459 106.9811 62.0267 70.3714 174.4363 68 H 4.8559 7.8738 119.0665 56.0936 29.0694 173.5901 69 N 3.9772 8.6677 108.4876 54.8921 36.5320 174.5930 70 D 4.4714 8.1402 111.9966 55.4073 38.9200 173.6644 71 D 4.6508 7.8642 120.7864 53.1084 39.5434 176.1789 72 Y 4.3606 8.0611 122.6241 58.3445 38.1507 177.1428 73 L 4.4472 7.5118 120.5751 54.4043 42.3287 175.4407 74 N 4.4839 8.0280 119.5645 54.0894 39.7187 175.5890 75 T 3.9238 8.5512 118.9676 65.0347 69.0043 176.4222 76 M 3.9811 8.0284 121.0146 58.3964 32.1299 178.9956 77 C 4.2050 8.4113 116.4075 60.3842 39.9390 176.2349 78 N 4.3898 8.1461 117.6283 56.3603 38.1746 177.4587 79 E 4.0233 8.7093 120.4411 59.4895 29.4936 179.1784 80 N 4.3649 8.4860 116.8016 56.0950 38.5493 177.1888 81 L 3.9509 7.9446 121.6771 58.0436 42.2585 178.8218 82 L 3.9648 7.9255 118.8895 58.1690 41.4073 179.7239 83 S 4.1305 7.8070 113.3585 61.6859 63.0386 175.8100 84 C 4.4123 8.3801 121.0625 59.7950 37.7915 175.4414 85 I 3.6429 8.1079 121.8184 64.7341 36.5473 178.0290 86 D 4.5801 7.9753 117.4399 56.1095 40.5744 177.3482 87 R 4.5579 7.4635 116.8938 55.5161 30.8502 175.8514 88 V 3.7468 7.5419 119.2682 62.8734 31.7685 175.3698 89 S 4.4253 8.4692 120.2487 57.6243 65.6713 173.1346 90 G 3.8329 8.5959 106.5183 44.1582 0.0000 172.8735 91 A 4.0486 8.1283 120.8562 52.4955 18.7454 177.0724 92 T 4.5260 7.9693 115.3660 59.8593 69.6663 174.0238 93 F 4.5523 7.9806 117.6250 55.2602 38.7042 173.1467 94 P 4.1641 0.0000 0.0000 64.5161 31.3890 176.5465 95 G 3.7936 8.8472 108.8746 45.6436 0.0000 172.6444 96 N 4.1434 7.3434 118.5774 53.1527 38.2763 175.0933 97 K 4.1955 8.5940 125.5208 57.4036 32.6781 176.7443 98 C 4.7263 8.2105 116.9892 55.5606 43.0188 173.2919 99 N 4.6381 8.4768 120.7721 52.8344 39.5323 175.8149 100 V 3.7189 8.5487 127.7674 66.2126 31.9072 177.9473 101 G 3.6365 8.1257 104.7898 47.8881 0.0000 175.1539 102 Q 3.9595 8.4694 122.1165 59.2140 29.1361 178.4267 103 T 3.8100 8.0631 116.5772 66.5270 68.3662 176.4545 104 A 3.8852 8.1411 122.9670 55.2555 18.3646 179.6708 105 S 4.0030 7.9601 111.1769 61.2959 62.3761 176.5356 106 V 3.5626 7.7628 121.0569 66.0188 31.3192 178.1041 107 I 3.7638 7.7960 119.4831 64.3738 36.8989 178.1872 108 R 3.9754 8.3164 120.0283 59.4109 29.6709 178.4007 109 G 3.7558 8.0407 105.3860 48.0768 0.0000 175.6958 110 V 3.6322 7.3841 119.5831 65.7045 31.4788 178.2101 111 I 3.7852 7.9039 119.5480 64.2332 36.9285 178.1351 112 E 3.9994 8.5792 119.9617 59.9646 29.3453 179.6641 113 T 3.9869 7.8285 115.4498 66.4631 68.4667 176.7119 114 A 4.0844 8.2035 122.8976 55.0084 18.3952 179.7342 115 V 3.5504 8.1788 117.1529 66.1701 31.5536 178.0082 116 F 4.1024 8.2511 119.9171 61.2832 39.3989 176.8252 117 A 3.9398 8.3294 120.5178 55.0178 18.0280 179.8306 118 G 3.4671 8.0119 105.4216 47.3902 0.0000 176.0554 119 K 3.9158 7.9896 121.4500 58.9733 31.5935 179.5292 120 I 3.4421 7.4628 120.1568 64.3550 36.9388 178.5452 121 L 3.9797 7.6028 118.8771 57.3846 41.1173 178.8837 122 H 4.5161 7.4580 115.4698 57.9636 29.1327 177.4605 123 K 4.0945 7.9970 119.3404 58.6008 31.8317 178.7724 124 R 4.1674 7.4486 117.9075 58.2088 30.4786 176.2229 125 D 4.6513 7.6910 121.5411 54.3499 41.2519 176.1106 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 N 8.28 4.68 0.00 2.75 3.11 0.00 0.00 6.71 6.56 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 3 I 8.12 3.59 1.87 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 1.35 1.30 0.91 0.00 0.00 4 G 9.37 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 0.00 0.00 0.00 5 D 7.67 4.57 0.00 2.83 2.74 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 6 L 7.48 4.10 0.00 1.79 1.73 0.92 0.93 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 7 L 8.00 4.53 0.00 1.69 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.70 4.71 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 0.00 0.00 0.00 *12 A 7.29 4.12 1.31 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 0.00 0.00 0.00 13 K 8.67 4.11 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 14 D 7.85 4.92 0.00 2.69 2.65 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 15 Q 7.44 4.49 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 16 G 8.93 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 17 C 7.86 5.01 0.00 2.94 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 18 S 8.23 4.73 0.00 3.71 3.40 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 19 R 8.44 4.57 0.00 1.75 1.83 0.00 3.17 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 20 T 7.61 4.50 4.20 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 1.18 0.00 0.00 21 C 8.42 4.19 0.00 2.36 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 22 E 8.89 4.48 0.00 1.79 1.77 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 2.53 2.35 0.00 23 S 8.03 4.91 0.00 3.85 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 24 Q 9.04 4.37 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.32 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 25 F 8.07 4.05 0.00 3.47 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 26 C 8.44 4.16 0.00 3.00 3.26 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 27 T 7.95 4.33 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 1.23 0.00 0.00 28 I 7.85 4.22 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.84 0.00 0.00 29 A 8.72 4.02 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 30 P 0.00 4.41 0.00 1.96 2.07 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 31 L 6.99 4.42 0.00 1.35 0.93 0.06 0.65 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 32 L 7.88 4.40 0.00 2.00 1.61 1.01 0.81 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 33 R 9.20 4.62 0.00 1.50 0.95 0.00 2.91 0.00 0.00 2.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.48 0.00 34 Y 8.94 4.92 0.00 3.13 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 35 G 8.79 3.60 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 0.00 0.00 0.00 36 K 9.08 4.28 0.00 1.33 1.24 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.24 7.81 37 Y 8.53 4.51 0.00 3.22 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 38 C 8.91 4.66 0.00 3.60 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 39 G 8.49 4.75 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 40 I 7.92 3.85 1.87 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 1.40 0.59 0.86 0.00 0.00 41 L 8.63 3.64 0.00 1.75 1.70 0.89 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.48 4.65 0.00 2.99 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 S 7.80 4.27 0.00 3.82 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 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 0.00 0.00 0.00 45 C 8.54 4.60 0.00 2.85 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 46 P 0.00 4.44 0.00 2.05 2.06 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 47 G 9.01 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 48 E 8.04 4.11 0.00 2.11 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 2.43 2.47 0.00 49 R 8.48 4.24 0.00 1.93 1.96 0.00 3.11 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 50 P 0.00 4.82 0.00 2.32 2.11 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 51 C 9.54 4.44 0.00 2.70 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 52 D 7.67 4.52 0.00 3.12 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 53 A 8.74 4.04 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 54 L 8.08 3.90 0.00 1.81 2.01 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.20 4.59 0.00 3.26 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 56 A 8.29 3.92 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 57 C 8.18 4.23 0.00 3.20 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 58 C 8.19 4.29 0.00 3.32 3.43 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 59 M 8.17 3.39 0.00 1.78 0.68 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.18 0.00 60 V 7.53 3.52 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 1.01 0.00 0.00 0.93 0.00 0.00 61 H 8.13 4.10 0.00 3.28 3.48 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 62 D 8.50 4.40 0.00 2.98 2.74 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 63 H 8.13 4.17 0.00 3.32 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.29 4.27 0.00 3.10 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 65 V 7.97 3.68 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 1.04 0.00 0.00 0.84 0.00 0.00 66 D 8.10 4.64 0.00 2.83 2.88 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 67 T 7.85 4.31 4.18 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 0.00 0.00 0.00 1.28 0.00 0.00 68 H 7.87 4.86 0.00 3.32 3.27 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.67 3.98 0.00 2.84 2.88 0.00 0.00 7.27 8.06 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 70 D 8.14 4.47 0.00 2.89 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 71 D 7.86 4.65 0.00 2.75 2.64 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 72 Y 8.06 4.36 0.00 3.17 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 73 L 7.51 4.45 0.00 1.64 1.58 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.03 4.48 0.00 2.78 2.64 0.00 0.00 6.95 7.22 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 75 T 8.55 3.92 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 1.25 0.00 0.00 76 M 8.03 3.98 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 77 C 8.41 4.21 0.00 3.10 3.10 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 0.00 0.00 0.00 78 N 8.15 4.39 0.00 2.81 2.91 0.00 0.00 7.10 7.63 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 79 E 8.71 4.02 0.00 2.03 2.01 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 2.35 2.53 0.00 80 N 8.49 4.36 0.00 2.93 2.88 0.00 0.00 6.65 7.42 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 81 L 7.94 3.95 0.00 1.93 1.87 0.95 0.45 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 82 L 7.93 3.96 0.00 1.95 1.72 0.94 0.71 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 83 S 7.81 4.13 0.00 4.03 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 84 C 8.38 4.41 0.00 3.12 3.24 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 85 I 8.11 3.64 1.99 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 1.49 1.27 0.89 0.00 0.00 86 D 7.98 4.58 0.00 2.82 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 87 R 7.46 4.56 0.00 1.88 1.90 0.00 3.37 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 88 V 7.54 3.75 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 0.80 0.00 0.00 1.00 0.00 0.00 89 S 8.47 4.43 0.00 3.98 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 90 G 8.60 3.83 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 0.00 0.00 0.00 91 A 8.13 4.05 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 92 T 7.97 4.53 4.21 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 1.01 0.00 0.00 93 F 7.98 4.55 0.00 3.21 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 94 P 0.00 4.16 0.00 2.24 2.13 0.00 3.97 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 95 G 8.85 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 96 N 7.34 4.14 0.00 1.44 2.22 0.00 0.00 7.10 6.55 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 97 K 8.59 4.20 0.00 1.91 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.52 7.81 98 C 8.21 4.73 0.00 3.34 3.18 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 0.00 0.00 0.00 0.00 99 N 8.48 4.64 0.00 2.76 2.70 0.00 0.00 6.63 7.71 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 0.00 100 V 8.55 3.72 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 1.13 0.00 0.00 1.00 0.00 0.00 101 G 8.13 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 0.00 0.00 0.00 102 Q 8.47 3.96 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 103 T 8.06 3.81 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 0.97 0.00 0.00 104 A 8.14 3.89 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 0.00 105 S 7.96 4.00 0.00 4.00 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 0.00 106 V 7.76 3.56 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 0.98 0.00 0.00 1.00 0.00 0.00 107 I 7.80 3.76 1.94 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 1.39 0.80 0.88 0.00 0.00 108 R 8.32 3.98 0.00 2.01 2.02 0.00 3.10 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 G 8.04 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 0.00 110 V 7.38 3.63 2.19 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 1.04 0.00 0.00 0.99 0.00 0.00 111 I 7.90 3.79 1.87 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 1.75 0.78 0.99 0.00 0.00 112 E 8.58 4.00 0.00 2.16 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 2.34 2.50 0.00 113 T 7.83 3.99 4.45 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 1.28 0.00 0.00 114 A 8.20 4.08 1.47 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 0.00 115 V 8.18 3.55 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 1.04 0.00 0.00 1.00 0.00 0.00 116 F 8.25 4.10 0.00 3.21 3.22 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 0.00 117 A 8.33 3.94 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 0.00 118 G 8.01 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 0.00 119 K 7.99 3.92 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.58 7.81 120 I 7.46 3.44 1.64 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 0.20 0.34 0.75 0.00 0.00 121 L 7.60 3.98 0.00 1.64 1.61 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.46 4.52 0.00 3.01 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.00 4.09 0.00 1.73 1.84 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 124 R 7.45 4.17 0.00 1.77 1.90 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 125 D 7.69 4.65 0.00 2.75 2.53 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 * Residues marked with a * may have inaccurate shift predictions.