NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -10 Q 4.3106 8.3444 119.1164 54.7197 30.7274 175.2880 -9 S 4.2644 7.9536 111.0348 56.9137 63.0086 171.9462 -8 T 5.0258 8.5073 116.3008 60.6692 70.0486 175.3732 -7 S 4.4358 7.7982 118.9302 60.4737 63.9472 174.2611 -6 L 4.1517 7.8064 122.4481 54.8811 41.8493 175.2263 -5 Y 5.4344 7.5660 119.6224 54.4207 42.0082 174.0928 -4 K 4.8636 8.8895 117.9419 54.5281 35.6712 175.0450 -3 K 4.8804 9.1001 123.8666 53.8766 34.3230 175.6717 -2 A 4.4215 7.8684 129.1164 50.7783 21.1831 177.2540 -1 G 3.7286 8.2179 116.5239 48.5094 0.0000 174.0999 0 L 4.2767 8.4072 120.3489 54.0414 40.9386 176.1194 -8 Y 5.2259 8.4773 123.0008 56.7692 38.0486 176.5732 -7 I 4.1358 7.4882 123.1302 63.2737 38.9472 176.0611 -6 E 4.1617 8.0664 120.8481 56.3811 29.3493 174.2263 -5 V 5.0044 7.4760 118.5224 58.7207 37.1082 174.4928 -4 V 4.6636 8.6295 116.7419 60.5281 35.4712 174.7450 -3 K 4.8804 9.1001 123.8666 53.8766 34.3230 175.6717 -2 T 4.4515 7.7784 118.9164 60.0783 71.8831 174.1540 -1 N 4.5086 8.2879 126.4239 56.5094 37.0588 174.3999 0 K 4.2567 8.5372 118.9489 55.1414 31.6385 175.1194 11 A 4.8118 7.4163 120.5229 49.0437 22.3162 173.9389 12 P 4.2942 0.0000 0.0000 62.6977 31.8946 176.5357 13 E 3.8657 8.6195 122.7158 56.0642 30.1495 176.5243 14 A 4.0606 8.1328 127.7500 50.5515 17.9028 176.6112 15 I 4.2227 8.1945 123.0606 61.8033 38.8435 175.7684 16 G 3.8959 8.7736 112.2594 43.7877 0.0000 170.7544 17 P 4.7082 0.0000 0.0000 61.6286 30.8990 173.8374 18 Y 4.9587 7.3121 115.8092 56.5901 41.6574 174.1203 19 S 4.6465 8.3140 115.3882 56.3440 66.1169 174.3041 20 Q 4.3630 8.5663 122.0971 59.4554 29.3236 176.6500 21 A 5.0566 7.6107 115.9092 51.2048 22.2533 175.6460 22 I 5.1445 8.8994 120.1788 59.5855 40.8997 174.8365 23 V 4.9210 8.4904 125.5030 61.5561 33.4609 174.7913 24 T 5.2546 9.1139 122.0925 60.7656 70.9474 172.9893 25 G 3.7931 9.1235 117.4284 47.4299 0.0000 174.1084 26 S 4.6717 8.5269 117.6541 57.6354 63.3454 172.6694 27 F 5.3269 8.2636 119.7038 56.4469 41.5353 174.7224 28 V 4.8495 9.1394 123.0924 61.3736 34.0860 173.7050 29 Y 4.9551 9.1349 126.2686 56.5589 39.8252 175.3630 30 T 4.9162 8.5653 115.2858 60.6157 70.6819 175.0358 31 S 4.5069 8.9579 119.6380 58.1565 64.1242 174.4743 32 G 3.9904 8.4820 109.0390 45.7469 0.0000 173.6167 33 Q 4.6431 9.4252 126.9202 55.4993 30.0679 175.5365 34 I 5.0014 8.1760 115.3158 57.5625 41.2367 173.5398 35 P 4.5996 0.0000 0.0000 62.3822 30.7609 176.1252 36 I 4.5179 7.2891 118.3198 60.8234 38.8959 175.7340 37 N 4.5573 8.9345 124.8012 52.3406 38.8854 174.0957 38 P 4.3634 0.0000 0.0000 65.4781 31.6283 177.0079 39 Q 4.4071 8.1568 116.1587 56.3688 28.7340 175.9139 40 T 4.4277 7.4755 110.4777 60.7253 69.7635 174.8677 41 G 3.9908 8.3803 108.1318 45.1627 0.0000 172.7802 42 E 4.7458 7.3503 117.9601 54.0987 32.3765 175.7560 43 V 4.0873 8.2933 122.0770 63.1737 32.1760 176.3092 44 V 3.9127 8.1861 120.8112 61.2373 32.0860 176.1929 45 D 4.4522 8.5549 123.2849 55.2789 41.7611 176.2451 46 G 3.9500 8.7617 105.6996 44.1683 0.0000 171.8387 47 G 4.3552 8.8531 110.1009 44.4041 0.0000 173.9314 48 I 3.6481 8.5082 117.7846 64.1660 37.9957 178.4666 49 E 3.9422 8.1065 119.6690 59.3876 29.6404 178.5609 50 E 4.0051 8.1072 118.1322 59.4219 29.5580 179.1734 51 Q 3.9772 8.4758 118.2391 58.8420 28.9188 178.5686 52 A 3.9761 8.5484 122.1023 55.0097 18.3604 179.3525 53 K 3.7296 7.9648 118.0687 59.9449 32.2840 178.7331 54 Q 3.9194 8.0007 119.4753 58.9727 28.9064 178.1170 55 V 3.5907 7.9626 119.5085 66.2086 31.5647 178.1242 56 L 3.8368 7.5925 118.1963 57.4029 41.1889 179.3325 57 E 4.0031 8.1531 118.7932 59.4371 29.4160 179.0495 58 N 4.3044 8.1616 116.4304 56.1877 38.5526 177.0930 59 L 3.9372 8.2439 122.0228 58.0414 42.1032 178.5170 60 K 3.7880 8.3434 119.8907 60.1047 32.0788 178.3697 61 N 4.3572 8.4077 116.4313 56.0530 38.5229 177.7390 62 V 3.6118 8.0053 119.8445 65.8779 31.6677 178.0199 63 L 4.0031 8.1417 118.8356 58.1010 41.5465 179.4641 64 E 4.3838 8.7863 119.8053 58.8867 29.1495 179.3511 65 A 4.0825 8.0624 119.6378 54.5487 18.5087 178.6816 66 A 4.2792 7.6677 117.1290 52.6065 18.8223 178.3680 67 G 3.8792 7.9623 105.6970 45.2541 0.0000 173.7822 68 S 4.9611 7.5153 115.9512 58.1924 64.4965 172.5068 69 S 4.6898 8.0999 110.6628 57.7212 64.9839 176.2613 70 L 3.9788 8.3623 121.0324 58.0102 41.2660 178.9289 71 N 4.7511 8.0917 112.5427 53.6541 37.8454 175.3282 72 K 4.4477 8.1088 118.4722 56.1511 32.6639 175.7017 73 V 4.2122 7.5881 120.6516 62.9800 32.0442 176.0614 74 V 4.2540 8.8589 120.5231 62.4362 33.7871 175.9740 75 K 5.1876 7.8003 121.0715 55.3333 35.6315 174.7654 76 T 5.1777 9.0454 117.2424 60.1846 72.6584 172.7669 77 T 4.7095 8.3372 118.8819 61.7272 71.8201 173.2616 78 V 4.3610 8.6014 127.3992 61.4276 33.1277 174.3185 79 F 5.3821 9.1220 128.9419 56.2504 40.4690 175.3589 80 I 5.1009 8.8532 117.3761 58.9539 40.3934 176.4782 81 K 4.0945 9.0706 125.5692 58.7519 32.4218 175.7428 82 D 5.1774 7.6633 117.0478 51.5109 44.7073 174.9042 *84 D 4.6746 8.5157 119.8448 53.6987 42.6035 176.7127 85 S 4.8342 7.6337 112.5006 57.9275 63.7135 176.1711 86 F 4.2483 8.4398 125.4223 62.2763 39.0313 175.8144 87 A 3.9014 8.1034 120.0684 55.0495 17.8756 179.6809 88 K 3.8806 7.7928 116.9555 59.5520 32.0914 179.6704 89 V 3.5781 7.6277 117.9943 66.1182 31.3319 177.5665 90 N 3.9626 7.9221 116.4859 56.2155 38.0785 176.9407 91 E 3.8987 7.9461 119.5941 59.1735 30.0282 178.8150 92 V 3.8735 7.6325 118.3261 65.9718 31.6388 177.3469 93 Y 4.1882 8.4526 119.4279 60.8515 38.4488 177.9843 94 A 4.2949 8.4173 120.6143 55.0504 18.4860 179.3343 95 K 4.0904 8.1062 115.8348 58.7420 32.2571 177.5166 96 Y 3.9757 8.0119 115.1265 58.0185 38.5770 175.2419 97 F 4.9878 7.8864 117.0169 55.8295 42.9948 173.2846 98 S 4.3102 8.1494 115.5624 56.4980 65.8606 173.4633 99 E 3.5969 8.0065 120.0441 55.7695 29.4735 175.3916 100 P 4.3622 0.0000 0.0000 62.3040 32.0784 175.9603 101 Y 4.3739 8.2926 121.0558 57.0156 38.5792 173.9895 102 P 4.5514 0.0000 0.0000 62.3513 32.2773 176.2592 103 A 4.2647 8.5784 124.1625 52.6494 19.6559 176.5854 104 R 5.0014 8.2151 118.4103 55.1817 33.5228 174.2542 105 S 4.7916 8.7311 121.0747 56.8544 66.3225 172.8818 106 C 5.1057 8.3642 120.2416 58.0818 30.9641 173.8421 107 V 4.4619 8.3377 116.2869 59.3680 35.8970 174.2498 108 E 4.8005 8.6959 124.7092 55.8806 30.7481 176.0799 109 V 4.3819 8.5234 120.7688 59.9264 33.8449 175.9763 110 S 4.4278 8.5060 115.0609 60.0417 63.8076 174.1240 111 K 4.4559 7.3315 118.5055 55.4246 34.9056 173.6071 112 L 4.8430 7.9154 121.5974 51.6865 45.8430 174.3131 113 P 4.3493 0.0000 0.0000 64.3804 31.5566 177.0436 114 K 3.9069 9.5577 119.7537 57.2310 29.6026 175.9934 115 G 3.8936 8.1040 104.1859 46.2805 0.0000 175.1094 116 V 3.8800 7.3759 112.1661 61.3292 32.0949 176.1523 117 L 4.5824 9.3091 120.3997 55.5250 42.8811 176.3647 118 I 5.0574 7.4064 117.6434 59.8053 41.0123 173.2661 119 E 5.0744 9.5712 128.8608 54.7760 33.5812 173.9272 120 I 5.1282 8.8786 126.8376 59.5980 41.1578 174.3743 121 E 5.2849 8.8955 124.0531 54.7145 32.9758 174.7133 122 A 5.1621 8.7109 121.0632 50.3862 23.2325 175.0192 123 V 4.7392 9.1249 120.9313 61.1479 33.9355 174.6131 124 A 5.3281 9.0898 128.6605 50.4043 23.1711 174.4742 125 I 4.7242 8.5728 112.8509 59.1407 40.2987 175.9056 126 K 4.1993 8.3691 123.6639 56.6430 31.6563 176.1380 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 -10 Q 8.34 4.31 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 -9 S 7.95 4.26 0.00 3.90 3.78 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 -8 T 8.51 5.03 4.41 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 1.24 0.00 0.00 -7 S 7.80 4.44 0.00 4.03 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 0.00 -6 L 7.81 4.15 0.00 1.72 1.59 0.89 0.66 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 -5 Y 7.57 5.43 0.00 3.12 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 -4 K 8.89 4.86 0.00 1.79 1.78 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 -3 K 9.10 4.88 0.00 2.04 1.78 0.00 1.80 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 0.77 7.81 -2 A 7.87 4.42 1.16 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 0.00 0.00 -1 G 8.22 3.73 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 0.00 0.00 0.00 0 L 8.41 4.28 0.00 1.68 1.54 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 -8 Y 8.48 5.23 0.00 3.06 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 -7 I 7.49 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.91 0.00 0.00 -6 E 8.07 4.16 0.00 2.16 1.93 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 2.40 2.30 0.00 -5 V 7.48 5.00 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.63 4.66 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 0.89 0.00 0.00 0.93 0.00 0.00 -3 K 9.10 4.88 0.00 2.04 1.78 0.00 1.80 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 0.77 7.81 -2 T 7.78 4.45 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 1.21 0.00 0.00 -1 N 8.29 4.51 0.00 2.75 1.71 0.00 0.00 6.79 7.79 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 K 8.54 4.26 0.00 1.90 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.02 7.81 11 A 7.42 4.81 1.21 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 12 P 0.00 4.29 0.00 2.11 2.06 0.00 3.72 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 2.24 0.00 13 E 8.62 3.87 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 14 A 8.13 4.06 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.19 4.22 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.94 0.00 0.00 16 G 8.77 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 0.00 0.00 0.00 17 P 0.00 4.71 0.00 2.24 2.16 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 18 Y 7.31 4.96 0.00 3.22 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 19 S 8.31 4.65 0.00 3.87 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 20 Q 8.57 4.36 0.00 2.17 2.22 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 2.48 2.34 0.00 21 A 7.61 5.06 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 22 I 8.90 5.14 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.08 1.02 0.00 0.00 23 V 8.49 4.92 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 0.88 0.00 0.00 0.99 0.00 0.00 24 T 9.11 5.25 4.37 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 1.45 0.00 0.00 25 G 9.12 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 26 S 8.53 4.67 0.00 3.82 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 27 F 8.26 5.33 0.00 3.31 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 28 V 9.14 4.85 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 1.17 0.00 0.00 0.97 0.00 0.00 29 Y 9.13 4.96 0.00 2.98 2.91 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 30 T 8.57 4.92 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 1.32 0.00 0.00 31 S 8.96 4.51 0.00 4.09 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 32 G 8.48 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 Q 9.43 4.64 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 34 I 8.18 5.00 1.89 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 1.44 0.70 0.93 0.00 0.00 35 P 0.00 4.60 0.00 2.26 2.41 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 36 I 7.29 4.52 1.90 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 1.32 0.60 0.96 0.00 0.00 37 N 8.93 4.56 0.00 2.81 2.71 0.00 0.00 6.64 7.51 0.00 0.00 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 P 0.00 4.36 0.00 2.23 2.17 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 39 Q 8.16 4.41 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 40 T 7.48 4.43 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 1.31 0.00 0.00 41 G 8.38 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 42 E 7.35 4.75 0.00 1.97 1.86 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 2.25 2.38 0.00 43 V 8.29 4.09 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 0.78 0.00 0.00 0.94 0.00 0.00 44 V 8.19 3.91 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 0.71 0.00 0.00 1.05 0.00 0.00 45 D 8.55 4.45 0.00 2.65 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 46 G 8.76 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 0.00 0.00 0.00 47 G 8.85 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 48 I 8.51 3.65 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 1.56 0.68 0.93 0.00 0.00 49 E 8.11 3.94 0.00 2.09 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 2.40 2.43 0.00 50 E 8.11 4.01 0.00 2.24 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 2.41 2.48 0.00 51 Q 8.48 3.98 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 52 A 8.55 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 53 K 7.96 3.73 0.00 1.91 2.02 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 54 Q 8.00 3.92 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 55 V 7.96 3.59 2.23 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 1.10 0.00 0.00 1.05 0.00 0.00 56 L 7.59 3.84 0.00 0.91 0.15 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.15 4.00 0.00 2.11 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 2.60 2.56 0.00 58 N 8.16 4.30 0.00 2.99 3.07 0.00 0.00 6.70 6.06 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 59 L 8.24 3.94 0.00 1.82 1.79 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.34 3.79 0.00 1.91 2.11 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 61 N 8.41 4.36 0.00 2.82 2.86 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 62 V 8.01 3.61 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 1.12 0.00 0.00 1.03 0.00 0.00 63 L 8.14 4.00 0.00 1.97 1.72 0.99 1.26 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 64 E 8.79 4.38 0.00 2.06 2.00 0.00 0.00 0.00 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 2.30 0.00 65 A 8.06 4.08 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 66 A 7.67 4.28 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 67 G 7.96 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 0.00 0.00 0.00 68 S 7.52 4.96 0.00 3.87 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 69 S 8.10 4.69 0.00 3.96 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 70 L 8.36 3.98 0.00 1.57 1.44 0.88 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.09 4.75 0.00 2.81 2.92 0.00 0.00 5.89 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 72 K 8.11 4.45 0.00 1.99 1.99 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 73 V 7.59 4.21 2.47 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 0.81 0.00 0.00 1.20 0.00 0.00 74 V 8.86 4.25 2.13 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 0.74 0.00 0.00 1.04 0.00 0.00 75 K 7.80 5.19 0.00 1.83 1.58 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.48 7.81 76 T 9.05 5.18 4.31 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 1.21 0.00 0.00 77 T 8.34 4.71 3.82 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 0.42 0.00 0.00 78 V 8.60 4.36 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 1.08 0.00 0.00 0.92 0.00 0.00 79 F 9.12 5.38 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 80 I 8.85 5.10 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 1.04 0.00 0.00 81 K 9.07 4.09 0.00 1.79 1.90 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 82 D 7.66 5.18 0.00 2.75 2.48 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 *84 D 8.52 4.67 0.00 3.08 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 85 S 7.63 4.83 0.00 4.04 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 86 F 8.44 4.25 0.00 3.08 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 87 A 8.10 3.90 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 88 K 7.79 3.88 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 89 V 7.63 3.58 1.99 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 1.17 0.00 0.00 0.98 0.00 0.00 90 N 7.92 3.96 0.00 2.56 2.60 0.00 0.00 6.68 7.48 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 91 E 7.95 3.90 0.00 2.02 2.14 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 2.34 2.33 0.00 92 V 7.63 3.87 2.27 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 1.08 0.00 0.00 1.03 0.00 0.00 93 Y 8.45 4.19 0.00 3.26 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 94 A 8.42 4.29 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.11 4.09 0.00 1.88 1.68 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.71 7.81 96 Y 8.01 3.98 0.00 2.73 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 4.99 0.00 3.22 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 98 S 8.15 4.31 0.00 3.79 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 99 E 8.01 3.60 0.00 1.84 1.83 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 2.06 2.24 0.00 100 P 0.00 4.36 0.00 2.18 2.05 0.00 3.72 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 1.97 1.97 0.00 101 Y 8.29 4.37 0.00 3.05 2.91 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 0.00 102 P 0.00 4.55 0.00 1.80 1.90 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 2.06 0.00 103 A 8.58 4.26 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 0.00 104 R 8.22 5.00 0.00 1.70 1.65 0.00 2.85 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 105 S 8.73 4.79 0.00 3.65 3.58 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 0.00 106 C 8.36 5.11 0.00 2.31 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 0.00 0.00 0.00 0.00 107 V 8.34 4.46 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 0.69 0.00 0.00 1.09 0.00 0.00 108 E 8.70 4.80 0.00 2.03 1.81 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 2.36 2.48 0.00 109 V 8.52 4.38 2.03 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 0.80 0.00 0.00 0.99 0.00 0.00 110 S 8.51 4.43 0.00 3.96 3.97 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 0.00 111 K 7.33 4.46 0.00 1.67 1.63 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.42 7.81 112 L 7.92 4.84 0.00 1.84 1.48 1.05 0.96 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 0.00 113 P 0.00 4.35 0.00 2.14 1.93 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 114 K 9.56 3.91 0.00 1.90 1.88 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.41 7.81 115 G 8.10 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 0.00 116 V 7.38 3.88 2.22 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 0.75 0.00 0.00 1.06 0.00 0.00 117 L 9.31 4.58 0.00 1.68 1.72 0.94 0.70 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 0.00 118 I 7.41 5.06 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.96 0.00 0.00 119 E 9.57 5.07 0.00 2.10 1.95 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 2.42 2.53 0.00 120 I 8.88 5.13 1.97 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 1.40 0.63 1.05 0.00 0.00 121 E 8.90 5.28 0.00 2.15 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 0.00 2.22 2.28 0.00 122 A 8.71 5.16 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 0.00 123 V 9.12 4.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.87 0.00 0.00 124 A 9.09 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.57 4.72 1.72 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 1.23 0.70 0.73 0.00 0.00 126 K 8.37 4.20 0.00 1.77 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.