NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5732 8.3649 120.5242 54.3783 42.2667 174.6736 2 K 4.3027 8.7678 118.1356 56.5659 32.9449 175.1536 3 A 4.8445 7.3002 120.8060 50.5512 22.6419 175.2029 4 T 4.4508 8.7079 110.2245 59.9449 72.3534 173.6375 5 I 4.3723 7.9401 123.3900 59.0650 37.7213 173.7136 6 P 4.2375 0.0000 0.0000 64.7396 31.4480 177.3990 7 S 4.5642 7.6056 111.4174 56.3336 64.5863 173.4396 8 E 4.2531 8.9841 127.9062 58.9889 29.6258 177.5392 9 S 4.3262 8.0424 113.7632 57.1905 62.9804 171.8207 10 P 4.9288 0.0000 0.0000 62.9196 32.2553 174.7478 11 F 5.1569 8.2520 115.4085 55.0831 42.1830 173.4740 12 A 4.4329 9.1842 120.6283 51.5984 19.0886 178.6150 13 A 3.8708 9.0605 124.6163 55.5083 18.5497 180.0570 14 A 4.1823 8.0364 116.4042 54.4624 18.5654 177.6855 15 E 4.4991 8.2530 114.5980 55.7736 29.9078 176.9092 16 V 3.8455 7.6207 119.2092 61.7269 31.9428 176.1782 17 A 4.1273 8.4802 125.9077 51.6710 19.0195 176.5200 18 D 4.5097 8.5196 120.9315 56.2295 41.2318 177.7999 19 G 3.9196 8.9263 110.8479 45.2763 0.0000 173.5982 20 A 4.2760 7.5675 121.2915 52.1365 19.4499 177.6369 21 I 4.1158 8.7058 122.3460 60.0156 38.2633 175.0902 22 V 4.3671 8.1907 127.7545 61.8157 32.8016 175.1463 23 V 4.3235 8.3211 128.0365 61.1387 33.5613 174.4004 24 D 5.0445 8.7821 128.0376 54.2342 42.6518 175.5591 25 I 5.0452 8.8742 123.4419 60.0535 39.3513 174.5165 26 A 4.7417 8.8972 127.6601 50.7185 23.1805 175.5468 27 K 4.0871 9.3973 115.9191 58.1365 29.8006 175.1620 28 M 3.3178 8.4610 112.5959 55.7308 30.5899 177.2616 29 K 4.4672 7.5898 114.5517 55.1432 34.7915 174.9133 30 Y 4.6104 8.1859 118.3777 58.0463 37.8086 176.5169 31 E 4.1046 9.4096 126.1413 58.6141 29.9012 177.6818 32 T 4.6727 7.6953 117.4337 60.9784 68.8752 172.8251 33 P 4.5285 0.0000 0.0000 64.2436 33.1785 175.4452 34 E 4.9130 7.7979 117.3934 54.5011 31.9579 174.1284 35 L 4.7709 8.7584 129.8466 53.5504 44.6661 174.5148 36 H 5.3124 8.8648 122.9832 54.3847 30.5794 174.1458 37 V 4.6834 8.8639 116.2219 59.5202 36.6343 174.4645 38 K 4.8467 8.8115 120.5156 54.8197 35.4088 176.2998 39 V 3.8463 8.2607 120.7926 64.7910 31.7011 176.4717 40 G 4.0065 9.4009 115.6318 45.1668 0.0000 173.3514 41 D 4.6206 8.0531 120.1446 54.5440 42.4946 175.3468 42 T 4.8882 8.4170 118.2678 62.1950 70.6912 173.5812 43 V 4.5325 8.8845 127.2893 61.6176 33.7839 174.5989 44 T 5.0421 8.4159 123.8245 61.6097 71.8263 173.0788 45 W 5.0315 9.4635 127.1977 56.0421 31.1375 175.5996 46 I 5.0167 8.8161 124.3528 59.4740 40.3118 174.0738 47 N 4.9084 9.3478 127.3871 53.3849 39.5602 175.2367 48 R 4.5827 9.0509 124.9687 56.1253 30.9744 176.0601 49 E 4.6603 8.6365 118.5218 54.0121 32.7069 176.6497 50 A 4.2186 8.1784 123.3156 51.7551 16.7588 175.7485 *52 P 4.4702 0.0000 0.0000 62.8963 33.3605 177.6706 53 H 5.1236 8.6062 118.0421 54.5635 33.7341 172.3933 54 N 5.0319 8.4723 116.5158 51.6224 40.6715 173.2104 55 V 4.4704 7.9098 109.9410 60.0696 35.6260 174.5943 56 H 5.2347 8.7440 123.5961 54.6424 33.2094 171.6707 57 F 5.1972 9.4898 125.1381 55.6550 41.3752 176.1814 58 V 4.4280 8.5827 116.5834 60.4592 33.1795 175.4788 59 A 4.1690 8.5114 124.8737 54.1493 18.5125 178.3619 60 G 3.9860 9.0554 110.1858 45.4902 0.0000 174.5120 61 V 4.1634 7.3677 118.3765 64.6114 32.4559 176.7105 62 L 4.2463 8.0496 117.4664 54.1007 42.4025 176.9764 63 G 3.9387 7.3831 105.7817 45.6783 0.0000 172.5946 64 E 3.8417 8.6762 118.0378 59.4050 29.5361 177.7252 65 A 4.5414 7.6664 117.9245 50.6889 19.9380 176.9753 66 A 4.1850 8.6157 121.1670 52.3697 19.5374 177.2353 67 L 4.3891 9.0346 123.6637 53.5259 43.8393 175.4784 68 K 4.3740 8.5126 129.5140 54.4068 32.2036 176.0395 69 G 3.5684 8.6777 115.2841 44.8727 0.0000 169.7006 70 P 4.4750 0.0000 0.0000 62.3347 32.4367 176.0137 71 M 4.2618 8.3577 121.5558 55.8718 32.5706 175.6137 72 M 4.3706 9.2090 124.5996 54.3522 33.9211 176.7987 73 K 4.5486 9.0659 123.7563 54.8441 34.4260 176.3038 74 K 4.1121 8.5221 121.9859 58.4578 32.3625 175.8345 75 E 3.8495 9.5312 123.9476 57.5103 27.5953 173.8522 76 Q 5.1677 7.8892 117.1546 54.4228 32.0091 174.3597 77 A 5.5891 8.4123 121.2177 49.9005 23.3735 174.5253 78 Y 4.9774 8.2235 118.5211 56.5994 42.3338 173.6553 79 S 5.4549 8.3645 121.5038 56.7751 66.4519 173.3465 80 L 4.6747 8.8978 121.7982 53.2646 45.7961 175.6160 81 T 4.8604 8.5946 120.5941 61.9922 70.4740 173.7070 82 F 4.7096 9.1672 127.0177 56.9778 40.0783 176.4972 83 T 4.6364 8.9073 113.0254 61.4549 69.7629 173.8991 84 E 4.6926 8.0723 121.6600 54.2389 32.8908 174.1930 85 A 4.3597 8.8562 127.0398 51.6896 19.4669 177.5794 86 G 3.6509 7.3656 105.7382 46.7744 0.0000 170.5764 87 T 4.8384 7.5076 115.9293 61.8540 71.5318 173.6975 88 Y 4.8900 9.0494 124.7763 56.2766 40.3825 174.7713 89 D 5.1805 8.9271 124.4540 54.2641 42.1820 175.4032 90 Y 4.7989 8.4036 119.4968 56.0679 42.2516 172.8796 91 H 5.4712 8.7410 114.6807 54.4659 32.7822 171.3892 92 C 4.8638 8.6158 119.0382 58.5765 32.0001 174.3848 93 T 3.8789 9.2105 124.1551 66.7852 68.3108 175.6431 94 A 4.0666 7.7994 122.5327 54.4799 19.1360 177.1656 95 H 4.6314 7.3320 112.2194 53.1322 28.6621 172.5069 96 P 4.4609 0.0000 0.0000 64.2789 31.7604 178.5227 97 F 4.3063 7.5006 113.5669 59.0348 38.4170 174.8559 98 M 4.3855 7.6443 123.3683 54.7665 32.5101 175.5579 99 R 5.0187 8.6919 122.4539 54.5427 34.1076 174.8876 100 G 3.7609 8.0897 108.5993 45.0510 0.0000 171.2667 101 K 5.3123 9.0239 117.8719 55.4042 36.5146 175.1990 102 V 4.8141 9.2082 122.1713 61.2820 34.0778 174.2737 103 V 4.5167 8.9144 128.6247 61.3640 33.3783 174.3195 104 V 4.8612 8.7679 129.4643 61.1190 33.4727 175.3496 105 E 4.3740 9.0277 125.8344 56.8994 29.0980 174.9685 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 D 8.36 4.57 0.00 2.68 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 2 K 8.77 4.30 0.00 1.78 1.74 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.71 7.81 3 A 7.30 4.84 0.34 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 4 T 8.71 4.45 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 1.12 0.00 0.00 5 I 7.94 4.37 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 6 P 0.00 4.24 0.00 1.93 2.02 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 7 S 7.61 4.56 0.00 3.73 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 8 E 8.98 4.25 0.00 2.05 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 2.36 2.27 0.00 9 S 8.04 4.33 0.00 3.90 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 10 P 0.00 4.93 0.00 2.09 2.00 0.00 3.72 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 2.12 2.03 0.00 11 F 8.25 5.16 0.00 3.26 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 12 A 9.18 4.43 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 13 A 9.06 3.87 1.39 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 0.00 0.00 14 A 8.04 4.18 1.33 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 0.00 0.00 0.00 15 E 8.25 4.50 0.00 2.41 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 2.33 2.32 0.00 16 V 7.62 3.85 2.30 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 0.76 0.00 0.00 1.00 0.00 0.00 17 A 8.48 4.13 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 18 D 8.52 4.51 0.00 2.64 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 19 G 8.93 3.92 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 0.00 0.00 0.00 20 A 7.57 4.28 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 21 I 8.71 4.12 1.76 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 1.21 0.89 0.83 0.00 0.00 22 V 8.19 4.37 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 0.74 0.00 0.00 0.92 0.00 0.00 23 V 8.32 4.32 1.51 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 1.23 0.00 0.00 0.63 0.00 0.00 24 D 8.78 5.04 0.00 2.70 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 25 I 8.87 5.05 1.94 0.00 0.00 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 1.58 1.22 0.61 0.00 0.00 26 A 8.90 4.74 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 27 K 9.40 4.09 0.00 1.89 1.88 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.45 7.81 28 M 8.46 3.32 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 29 K 7.59 4.47 0.00 1.92 1.84 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.44 7.81 30 Y 8.19 4.61 0.00 3.16 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 31 E 9.41 4.10 0.00 2.00 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 2.39 2.47 0.00 32 T 7.70 4.67 4.29 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 1.28 0.00 0.00 33 P 0.00 4.53 0.00 2.15 2.39 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 34 E 7.80 4.91 0.00 2.01 1.90 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 2.25 2.22 0.00 35 L 8.76 4.77 0.00 1.83 1.49 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.86 5.31 0.00 3.03 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.86 4.68 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 0.68 0.00 0.00 0.76 0.00 0.00 38 K 8.81 4.85 0.00 1.84 1.92 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.37 7.81 39 V 8.26 3.85 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 0.86 0.00 0.00 0.99 0.00 0.00 40 G 9.40 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 41 D 8.05 4.62 0.00 2.79 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 42 T 8.42 4.89 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 43 V 8.88 4.53 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 -0.04 0.00 0.00 0.84 0.00 0.00 44 T 8.42 5.04 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 1.37 0.00 0.00 45 W 9.46 5.03 0.00 3.44 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 46 I 8.82 5.02 1.92 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 1.13 0.89 0.94 0.00 0.00 47 N 9.35 4.91 0.00 2.90 2.91 0.00 0.00 6.67 7.35 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 48 R 9.05 4.58 0.00 1.82 1.96 0.00 3.46 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 49 E 8.64 4.66 0.00 1.96 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 2.27 2.39 0.00 50 A 8.18 4.22 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 *52 P 0.00 4.47 0.00 1.91 1.99 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 53 H 8.61 5.12 0.00 2.97 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.47 5.03 0.00 2.61 2.69 0.00 0.00 5.86 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 55 V 7.91 4.47 1.04 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 -0.67 0.00 0.00 0.40 0.00 0.00 56 H 8.74 5.23 0.00 2.99 2.89 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.49 5.20 0.00 3.01 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 58 V 8.58 4.43 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 0.96 0.00 0.00 1.00 0.00 0.00 59 A 8.51 4.17 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 60 G 9.06 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 61 V 7.37 4.16 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 1.29 0.00 0.00 1.13 0.00 0.00 62 L 8.05 4.25 0.00 1.57 1.37 -0.08 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.38 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 64 E 8.68 3.84 0.00 1.98 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 2.33 2.32 0.00 65 A 7.67 4.54 1.22 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 0.00 0.00 66 A 8.62 4.18 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 67 L 9.03 4.39 0.00 1.65 1.62 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.51 4.37 0.00 1.51 1.60 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.14 7.81 69 G 8.68 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.47 0.00 1.95 1.93 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 71 M 8.36 4.26 0.00 1.86 2.00 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 2.54 2.44 0.00 72 M 9.21 4.37 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 73 K 9.07 4.55 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.52 7.81 74 K 8.52 4.11 0.00 1.84 1.74 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 75 E 9.53 3.85 0.00 2.17 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 2.23 2.42 0.00 76 Q 7.89 5.17 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 77 A 8.41 5.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.22 4.98 0.00 2.96 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 79 S 8.36 5.45 0.00 3.78 3.71 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 80 L 8.90 4.67 0.00 1.51 0.82 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.59 4.86 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 1.21 0.00 0.00 82 F 9.17 4.71 0.00 2.99 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 83 T 8.91 4.64 4.23 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 0.00 0.00 0.00 1.15 0.00 0.00 84 E 8.07 4.69 0.00 1.95 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 2.32 2.38 0.00 85 A 8.86 4.36 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 86 G 7.37 3.65 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 0.00 0.00 0.00 87 T 7.51 4.84 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 1.16 0.00 0.00 88 Y 9.05 4.89 0.00 3.22 3.30 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 89 D 8.93 5.18 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 90 Y 8.40 4.80 0.00 2.03 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 91 H 8.74 5.47 0.00 3.25 3.33 0.00 5.25 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.62 4.86 0.00 3.03 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 93 T 9.21 3.88 4.19 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 1.22 0.00 0.00 94 A 7.80 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 7.33 4.63 0.00 2.72 1.85 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.46 0.00 2.13 2.13 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 2.01 1.94 0.00 97 F 7.50 4.31 0.00 3.14 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 98 M 7.64 4.39 0.00 1.46 1.84 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.49 0.00 99 R 8.69 5.02 0.00 1.63 1.70 0.00 3.32 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 100 G 8.09 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 0.00 101 K 9.02 5.31 0.00 1.95 1.97 0.00 1.25 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 102 V 9.21 4.81 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 0.46 0.00 0.00 1.27 0.00 0.00 103 V 8.91 4.52 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 0.93 0.00 0.00 0.78 0.00 0.00 104 V 8.77 4.86 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 1.02 0.00 0.00 0.87 0.00 0.00 105 E 9.03 4.37 0.00 1.97 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 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.