NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1596 8.1832 117.5562 52.3887 38.9337 174.8893 2 L 4.0494 8.4335 117.3868 56.9632 41.2926 178.5108 3 F 4.1411 9.2611 121.6589 61.6200 39.5929 176.8178 4 Q 4.1390 9.6071 118.7405 58.7684 28.5140 178.1790 5 F 4.4322 8.7003 121.8404 61.2906 39.3760 177.0201 6 A 3.6670 8.2094 120.4435 55.2445 18.1013 179.8455 7 R 3.9481 7.7010 116.2866 59.5731 30.0305 179.2732 8 M 4.4142 8.4586 119.0558 58.6092 31.9760 178.8915 9 I 3.8509 7.7294 119.9935 64.1856 37.1962 178.2719 10 N 4.4647 8.6075 117.9702 56.3946 38.2180 177.7698 11 G 3.0200 8.2621 105.8978 46.9149 0.0000 174.7697 12 K 4.3305 7.7586 120.0479 57.7554 32.9086 177.5733 13 L 4.6436 8.7338 116.9991 52.8841 43.2394 175.6695 14 G 3.9270 7.3672 104.7936 43.3213 0.0000 172.8224 *16 A 3.8723 8.1066 122.0656 52.8710 19.3968 177.5076 17 F 4.4846 8.2051 117.9649 58.4929 37.2349 177.3944 18 S 4.1515 8.1036 118.2836 61.2310 62.4142 176.4331 19 V 3.4347 8.2365 122.5682 64.8179 30.4891 178.2693 20 W 4.5964 7.3098 117.6424 58.6038 28.9856 177.2793 21 N 4.5658 7.9911 115.2591 54.1269 38.0864 174.9647 22 Y 4.5265 7.4952 117.5373 57.5962 38.8291 176.7086 23 I 4.0344 7.9821 123.9192 64.4397 37.6867 176.2442 24 S 4.9644 7.9084 113.7203 57.9688 64.5288 172.6913 25 Y 4.7693 9.2330 128.5467 57.3841 42.4642 175.1329 26 G 3.6981 8.0149 116.5733 46.5414 0.0000 172.5696 27 C 4.5982 9.1245 114.4710 57.4260 41.3466 174.7038 28 Y 4.3214 8.4425 114.9225 58.2190 40.3178 175.3577 29 C 4.6687 8.5987 118.5679 57.6925 41.4729 172.9737 30 G 4.4343 8.7219 112.8072 46.6527 0.0000 176.2427 31 W 4.4781 9.1807 118.0063 56.5119 27.8099 174.5730 32 G 3.8744 7.7855 113.7405 45.6306 0.0000 171.5878 33 G 3.7942 8.0279 111.7131 45.1706 0.0000 173.1929 34 Q 4.4860 7.2416 115.6870 55.3482 31.7842 175.5159 35 G 3.8939 8.5505 105.3585 45.0157 0.0000 171.8680 36 T 4.5524 8.1377 116.5968 60.9345 70.1059 172.8283 37 P 4.5427 0.0000 0.0000 63.3208 31.7174 176.7492 38 K 3.9605 9.4915 122.7447 58.4313 32.5134 176.0949 39 D 4.4457 7.3135 115.8515 51.7220 41.8657 176.0508 40 A 4.1571 8.4104 119.8300 55.7195 18.0451 179.9554 41 T 4.0334 8.0928 113.9276 67.0254 68.6467 176.3405 42 D 4.6335 9.1816 120.3323 57.2975 41.1278 178.2178 43 R 3.9920 8.7210 119.8823 59.5695 30.0914 177.7244 44 C 4.2142 8.4806 116.4192 60.2498 37.2071 175.5406 45 C 4.4049 8.1862 118.1692 59.6981 40.7010 175.5550 46 F 3.7949 8.7253 122.8012 61.4993 38.7861 177.4844 47 V 3.4735 8.1708 117.8496 66.0073 31.2303 177.5508 48 H 3.9307 8.1689 118.2193 59.0348 29.6563 177.0365 49 D 4.1991 8.4360 121.2012 57.4460 40.7688 177.9029 50 C 4.0162 7.7467 116.9630 60.1014 39.9349 175.4497 51 C 4.1414 7.9187 118.7636 60.0417 41.0522 175.0082 52 Y 4.3168 8.1186 118.5492 60.9558 37.1440 178.5517 53 G 3.8109 8.5848 106.4975 47.7929 0.0000 175.5858 54 G 3.8267 7.7183 106.4198 45.7570 0.0000 174.1358 55 V 3.6414 7.1777 121.3918 62.8301 31.8660 175.2240 56 K 4.4868 8.3998 126.4296 54.6226 34.8456 177.1916 *58 G 4.2087 8.7996 109.7032 45.8669 0.0000 171.1811 59 C 4.3879 7.3618 112.0031 54.5094 45.3345 171.9336 *61 N 4.8506 8.2974 116.1760 53.2921 38.3224 172.4138 *68 P 4.0803 0.0000 0.0000 62.1211 33.3749 179.2672 69 K 4.0370 7.9686 118.4233 58.5330 32.1200 177.2654 70 L 4.5255 7.7691 115.7149 54.2528 43.0353 176.3638 71 A 4.1415 7.7766 122.3849 51.6007 19.0581 176.6711 72 I 4.1341 8.2257 124.2703 60.0671 37.9774 175.0523 73 Y 4.8100 7.7990 124.2118 55.1531 40.5287 174.4388 74 S 5.1905 9.4729 114.8661 56.9291 65.2036 173.0134 75 Y 5.4715 8.5164 120.6585 56.3803 41.2496 173.0023 76 S 4.3826 9.4409 114.1592 57.4262 67.3275 172.2758 77 F 5.1903 8.7120 118.1003 55.8284 40.9687 175.7751 78 Q 4.4966 8.9344 122.2923 55.2399 31.5611 175.7454 79 R 3.8905 9.8016 121.5616 57.3550 27.7456 177.1613 80 G 4.0080 8.7114 102.7726 45.6584 0.0000 173.3158 81 N 5.1804 8.5274 118.3551 51.2803 42.2036 173.7320 82 I 3.7674 8.1526 125.9651 61.2094 38.3827 175.8518 83 V 4.2505 8.7154 126.2389 61.5004 34.4907 173.4744 84 C 4.7205 8.8614 126.2338 56.3023 40.6553 174.4059 85 G 4.0179 8.9249 118.5602 46.7265 0.0000 176.7463 86 R 4.3113 8.6312 119.8194 54.4195 28.7570 174.7172 *88 N 5.3644 8.0331 120.5514 53.6441 40.2481 174.5862 89 N 4.6197 8.6448 118.9455 53.5541 41.2218 179.7082 90 G 3.8258 8.5434 109.2982 46.1398 0.0000 175.8745 91 C 4.2856 9.0300 123.9280 58.1346 42.6704 174.8782 92 L 3.8836 7.8429 121.2083 57.3033 41.1758 179.1837 93 R 3.7740 7.8292 118.3868 59.6620 30.0423 178.5518 94 T 3.7647 7.4802 115.5553 66.7819 68.4841 176.5682 95 I 3.6118 7.7347 121.4979 64.4401 37.0535 177.6156 96 C 2.7596 7.9063 119.2673 59.2872 43.5626 175.3299 97 E 3.6366 8.0604 120.8651 59.2432 29.1513 178.0870 98 C 4.1285 8.3365 117.1461 59.9154 35.1874 175.8194 99 D 3.3700 7.7369 120.3715 56.8888 40.2743 178.6164 100 R 3.6848 7.8491 119.4542 59.5073 30.0966 178.4887 101 V 3.4351 7.7841 117.8165 66.0533 31.4388 177.8909 102 A 3.5990 7.8014 120.0794 54.7901 18.1763 179.4492 103 A 3.8577 8.4948 119.6292 55.3673 18.3992 179.4991 104 N 4.2578 8.3388 115.3531 56.7431 38.6167 176.8465 105 C 4.2417 7.9889 119.7346 59.5410 43.4491 175.6021 106 F 4.4520 7.9470 119.1461 60.8839 38.5971 176.8335 107 H 4.4262 8.3729 117.9121 59.2099 29.4722 176.8312 108 Q 3.9778 8.1758 120.6421 59.0852 29.1254 177.5456 109 N 4.8843 7.9507 115.1338 52.9699 38.8421 176.7228 110 K 4.0012 7.8899 123.6100 60.4528 32.1248 178.5369 111 N 4.5241 8.2573 115.5290 55.1626 38.7196 175.4624 112 T 4.4861 7.8255 106.7357 60.9319 69.3941 174.0633 113 Y 4.0421 7.8087 124.0439 58.3642 39.2001 174.9031 114 N 4.9248 8.8956 125.1674 51.3702 40.9054 175.1290 115 K 4.0383 8.7913 125.7280 59.3613 32.3878 178.9100 116 E 3.9923 8.5598 117.8263 58.7763 29.6508 177.1942 117 Y 4.5021 7.5117 115.5514 57.9094 38.1626 175.5201 118 K 4.1021 7.3638 120.6677 57.2305 32.6740 176.7651 119 F 4.6446 7.8508 119.4624 58.0337 36.7405 175.9200 120 L 4.2993 7.8510 118.7723 54.4897 42.7118 177.4553 121 S 4.6284 8.2981 115.6449 57.1053 64.6040 175.2460 122 S 4.1521 8.6837 116.5995 61.4568 62.6465 176.5053 *124 S 4.4541 7.9215 113.6079 57.9538 64.4087 174.6024 125 K 4.2824 8.2847 118.3086 57.2776 32.3190 176.0494 126 C 5.0442 8.1937 117.1572 56.7782 40.7883 174.5672 127 R 4.4575 7.9295 114.7970 56.1599 30.2270 176.9165 128 Q 4.3168 7.6810 118.1408 55.2989 30.3231 175.4038 129 R 4.0585 8.4115 121.2117 56.7796 30.7068 176.1854 130 S 4.7933 8.6291 122.4315 57.5015 63.5098 173.9602 131 E 4.0190 8.9580 125.5446 56.5326 30.0445 175.9933 132 Q 4.7019 8.3039 123.1432 54.4718 30.7308 176.5775 133 C 4.4614 8.6296 116.3490 57.4813 41.2193 173.8823 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 8.18 5.16 0.00 3.19 3.15 0.00 0.00 6.14 5.79 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 2 L 8.43 4.05 0.00 1.95 1.91 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.26 4.14 0.00 3.14 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 4 Q 9.61 4.14 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 5 F 8.70 4.43 0.00 3.36 3.21 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 0.00 6 A 8.21 3.67 1.10 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 0.00 0.00 7 R 7.70 3.95 0.00 2.07 2.19 0.00 3.14 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 8 M 8.46 4.41 0.00 2.11 2.48 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 9 I 7.73 3.85 1.78 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.78 0.00 0.00 10 N 8.61 4.46 0.00 2.62 2.70 0.00 0.00 6.89 7.30 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 11 G 8.26 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 0.00 0.00 0.00 12 K 7.76 4.33 0.00 2.09 1.96 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.35 7.81 13 L 8.73 4.64 0.00 1.59 1.71 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.37 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 0.00 0.00 0.00 *16 A 8.11 3.87 0.58 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 0.00 0.00 17 F 8.21 4.48 0.00 3.38 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 18 S 8.10 4.15 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 3.43 1.73 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 -0.47 0.00 0.00 0.42 0.00 0.00 20 W 7.31 4.60 0.00 3.28 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 21 N 7.99 4.57 0.00 1.80 2.19 0.00 0.00 6.79 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 22 Y 7.50 4.53 0.00 2.78 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 23 I 7.98 4.03 2.16 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.34 1.25 0.00 0.00 24 S 7.91 4.96 0.00 4.13 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 25 Y 9.23 4.77 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 26 G 8.01 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 27 C 9.12 4.60 0.00 3.08 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 28 Y 8.44 4.32 0.00 3.18 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 29 C 8.60 4.67 0.00 3.41 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 30 G 8.72 4.43 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 0.00 31 W 9.18 4.48 0.00 3.43 3.41 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 32 G 7.79 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 0.00 0.00 0.00 33 G 8.03 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 34 Q 7.24 4.49 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.13 2.55 0.00 35 G 8.55 3.89 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 0.00 0.00 0.00 36 T 8.14 4.55 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 1.13 0.00 0.00 37 P 0.00 4.54 0.00 1.87 1.94 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 38 K 9.49 3.96 0.00 1.05 1.13 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.52 7.81 39 D 7.31 4.45 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.03 4.28 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 0.95 0.00 0.00 42 D 9.18 4.63 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.99 0.00 1.94 2.14 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 44 C 8.48 4.21 0.00 3.07 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 45 C 8.19 4.40 0.00 3.36 3.49 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 0.00 0.00 0.00 0.00 46 F 8.73 3.79 0.00 2.71 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 47 V 8.17 3.47 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 0.94 0.00 0.00 1.03 0.00 0.00 48 H 8.17 3.93 0.00 3.16 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.44 4.20 0.00 2.68 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 50 C 7.75 4.02 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.14 0.00 2.94 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 52 Y 8.12 4.32 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.58 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 0.00 0.00 0.00 54 G 7.72 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 55 V 7.18 3.64 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 0.73 0.00 0.00 0.91 0.00 0.00 56 K 8.40 4.49 0.00 1.76 1.64 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.31 7.81 *58 G 8.80 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 0.00 0.00 0.00 0.00 59 C 7.36 4.39 0.00 3.06 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 *61 N 8.30 4.85 0.00 2.73 2.78 0.00 0.00 7.66 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 *68 P 0.00 4.08 0.00 1.20 0.73 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 69 K 7.97 4.04 0.00 1.73 2.04 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 70 L 7.77 4.53 0.00 1.62 1.65 0.92 0.72 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 71 A 7.78 4.14 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 72 I 8.23 4.13 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.84 0.00 0.00 73 Y 7.80 4.81 0.00 3.16 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 S 9.47 5.19 0.00 3.92 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 75 Y 8.52 5.47 0.00 3.08 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 S 9.44 4.38 0.00 3.76 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 77 F 8.71 5.19 0.00 2.92 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 78 Q 8.93 4.50 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.27 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 79 R 9.80 3.89 0.00 1.97 2.02 0.00 3.46 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 80 G 8.71 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 81 N 8.53 5.18 0.00 2.79 2.75 0.00 0.00 7.23 7.68 0.00 0.00 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 8.15 3.77 1.66 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 0.51 -0.07 0.70 0.00 0.00 83 V 8.72 4.25 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 0.93 0.00 0.00 0.93 0.00 0.00 84 C 8.86 4.72 0.00 2.82 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 85 G 8.92 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 86 R 8.63 4.31 0.00 1.99 2.10 0.00 3.00 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 *88 N 8.03 5.36 0.00 2.74 2.82 0.00 0.00 7.33 8.00 0.00 0.00 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 N 8.64 4.62 0.00 2.83 2.72 0.00 0.00 7.22 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 90 G 8.54 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 C 9.03 4.29 0.00 3.10 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 92 L 7.84 3.88 0.00 1.85 1.85 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.83 3.77 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 94 T 7.48 3.76 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 1.15 0.00 0.00 95 I 7.73 3.61 1.91 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 1.07 0.48 0.98 0.00 0.00 96 C 7.91 2.76 0.00 2.12 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 97 E 8.06 3.64 0.00 2.00 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 2.21 2.27 0.00 98 C 8.34 4.13 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.74 3.37 0.00 2.57 2.34 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 0.00 100 R 7.85 3.68 0.00 1.68 1.90 0.00 3.13 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 101 V 7.78 3.44 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 0.84 0.00 0.00 0.87 0.00 0.00 102 A 7.80 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.49 3.86 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 0.00 104 N 8.34 4.26 0.00 2.77 2.86 0.00 0.00 6.70 7.45 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 0.00 105 C 7.99 4.24 0.00 2.97 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 0.00 106 F 7.95 4.45 0.00 2.98 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 0.00 107 H 8.37 4.43 0.00 3.25 3.54 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.18 3.98 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 109 N 7.95 4.88 0.00 2.93 2.91 0.00 0.00 6.78 7.52 0.00 0.00 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 K 7.89 4.00 0.00 1.95 2.17 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.52 7.81 111 N 8.26 4.52 0.00 2.77 2.95 0.00 0.00 6.77 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 7.83 4.49 4.32 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 1.27 0.00 0.00 113 Y 7.81 4.04 0.00 2.97 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 0.00 114 N 8.90 4.92 0.00 2.64 2.24 0.00 0.00 6.86 6.70 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 0.00 115 K 8.79 4.04 0.00 1.89 1.89 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.68 7.81 116 E 8.56 3.99 0.00 1.72 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 2.27 2.17 0.00 117 Y 7.51 4.50 0.00 1.84 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 0.00 0.00 0.00 118 K 7.36 4.10 0.00 1.52 0.74 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.46 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.44 7.81 119 F 7.85 4.64 0.00 3.29 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 0.00 120 L 7.85 4.30 0.00 1.62 1.58 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.30 4.63 0.00 4.01 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 0.00 122 S 8.68 4.15 0.00 4.03 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 0.00 *124 S 7.92 4.45 0.00 4.03 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 0.00 125 K 8.28 4.28 0.00 1.85 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.40 7.81 126 C 8.19 5.04 0.00 2.92 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 0.00 127 R 7.93 4.46 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 128 Q 7.68 4.32 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 129 R 8.41 4.06 0.00 1.81 1.85 0.00 3.30 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 130 S 8.63 4.79 0.00 3.93 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 0.00 131 E 8.96 4.02 0.00 1.67 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 2.33 2.24 0.00 132 Q 8.30 4.70 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 133 C 8.63 4.46 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.