NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3201 8.2644 123.5807 52.5205 19.8085 176.0919 2 S 4.3018 8.0698 109.0046 57.0122 65.6002 173.2390 3 A 3.5548 9.1935 127.0145 52.3489 15.8507 178.4241 4 A 5.4601 8.2518 131.0247 51.8442 22.1783 178.4637 5 K 4.5233 7.0812 116.0436 56.3779 31.6515 176.1888 6 G 3.8865 8.7932 117.6539 47.1224 0.0000 177.0787 7 D 3.4362 8.8325 115.0764 52.5957 42.4251 174.6917 8 H 3.9645 9.3616 119.6158 56.8153 28.2409 176.6818 9 G 3.7720 8.6346 107.8858 47.2467 0.0000 173.8054 10 G 3.7504 6.9331 105.4815 45.8950 0.0000 170.7644 *12 G 3.8842 7.6695 106.9423 45.4319 0.0000 172.7304 13 A 4.1353 8.6994 119.4057 55.4096 18.3319 180.0036 14 R 3.9273 8.0604 116.6867 59.8650 30.1709 178.7856 15 T 3.9332 7.8750 115.0916 66.5274 68.5826 176.7003 16 W 4.0354 8.2997 120.7537 59.3783 29.0317 178.7135 17 R 3.8435 8.3570 119.1917 59.0907 29.4376 178.1499 18 F 4.3328 8.3646 120.5743 61.5879 39.3061 177.1997 19 L 3.9235 8.1518 118.5442 57.8088 41.2498 179.6543 20 T 3.7815 7.8878 115.7547 66.7648 68.2130 176.5584 21 F 4.8666 7.9863 117.6600 59.3632 39.2843 177.5795 22 G 4.1142 8.5682 104.0594 45.0930 0.0000 173.5086 23 L 4.5147 7.6705 119.7591 56.2712 44.2458 177.8726 24 A 3.9679 8.3129 120.3537 55.3686 18.2426 179.5874 25 L 4.0025 8.4381 117.3774 57.4746 41.7459 178.1180 26 P 4.2895 0.0000 0.0000 65.6170 31.2648 178.8113 27 S 4.1149 8.1036 114.1251 61.6050 62.7613 176.9253 28 V 3.5512 7.7718 120.7264 65.8233 31.3666 177.9836 29 A 4.0191 8.3131 121.0405 54.9396 18.1426 179.7071 30 L 3.9067 8.0719 117.5363 58.3104 41.7502 179.5930 31 C 4.1453 8.1462 116.5152 62.9853 27.9462 176.3580 32 T 3.4886 7.8839 117.5324 65.9009 67.7069 176.7080 33 L 3.9023 7.3894 121.4346 58.0754 42.5528 177.9041 34 N 4.3057 8.3579 117.3294 56.9837 38.6180 176.9420 35 S 4.0332 7.7069 114.7461 60.9277 63.7035 176.2348 36 W 5.2849 7.7674 120.8539 55.8561 27.5642 175.8567 37 L 4.7886 7.5331 121.7984 57.2088 48.1386 176.3088 38 H 4.8192 8.3563 112.6768 56.5326 29.6409 177.7270 39 S 4.7156 7.3295 117.1857 56.0253 62.1264 173.3031 40 G 3.7783 9.0685 116.7890 44.4743 0.0000 171.9677 41 H 4.2315 8.7054 121.5328 56.1687 28.6745 175.4298 42 R 4.1158 8.4224 124.3043 55.2277 30.6839 176.4716 43 E 3.9208 8.8027 123.2979 56.1007 29.9279 176.8022 44 R 4.0565 8.4967 123.3702 55.5271 29.9771 174.8265 45 P 4.4750 0.0000 0.0000 61.9812 32.2219 175.9307 46 A 4.2085 8.4405 122.3925 52.5228 18.8493 177.1451 47 F 4.5403 8.8605 123.4048 57.6280 40.3043 175.1112 48 I 4.0262 6.9745 127.2222 58.7569 40.3953 175.0978 49 P 4.1776 0.0000 0.0000 61.8608 29.3492 176.6611 50 Y 4.1927 7.0079 116.9887 58.7366 38.7630 178.0666 51 H 4.3950 8.9506 120.6130 57.9453 29.1993 175.7309 52 H 4.7561 8.2245 113.3497 55.1884 28.8119 174.0399 53 L 4.7671 7.0960 118.5669 53.1851 45.1636 175.6112 54 R 3.8449 8.6405 115.3630 57.1084 27.6355 177.3915 55 I 3.8327 7.7114 116.5479 61.9306 37.7972 177.4079 56 R 4.3339 8.1381 123.1639 55.0619 31.2895 174.4000 57 T 4.3144 7.8438 111.5308 61.5890 70.3026 175.5487 58 K 4.2882 7.2020 120.9967 54.3388 35.0178 173.0392 59 P 4.1913 0.0000 0.0000 62.2415 32.2406 176.2518 60 F 3.7941 7.7227 119.1417 57.7525 39.1005 175.9288 61 S 4.4692 7.9776 118.7880 58.3323 62.7466 173.8542 62 W 5.3308 7.4523 116.8410 55.2807 32.0210 176.5865 63 G 3.7229 8.4713 108.6565 47.4283 0.0000 173.8788 64 D 4.6043 8.9202 124.2331 52.6238 39.6359 177.6218 65 G 3.8048 8.4135 107.9376 46.2072 0.0000 174.4458 66 N 4.9777 8.6958 116.0272 53.1949 40.1088 173.3902 67 H 4.8697 8.1519 114.4481 54.4769 31.1475 174.5079 68 T 3.4652 8.2560 113.7785 60.9762 69.5457 174.7959 69 F 2.9738 8.8702 124.8342 60.7322 39.2824 176.7218 70 F 5.0218 7.4987 116.9766 56.5148 39.3356 175.5813 71 H 4.0592 7.9289 119.7918 56.5792 30.4687 173.6056 72 N 4.8285 8.3829 124.6607 51.0581 39.9005 172.5069 73 P 4.3184 0.0000 0.0000 65.7935 31.6649 178.0703 74 R 4.0387 7.9698 116.6774 58.6649 29.9707 177.3036 75 V 4.4870 7.8923 106.8344 60.6064 33.5928 174.9061 76 N 4.8401 8.6595 118.2621 50.6005 38.6219 172.8776 77 P 4.2020 0.0000 0.0000 61.9785 32.3970 176.2644 78 L 4.4009 7.9614 120.3269 52.9881 42.7521 176.3135 79 P 4.3330 0.0000 0.0000 65.4776 31.1398 177.6293 80 T 4.1889 7.6771 105.8675 60.5969 69.4615 172.9209 81 G 2.2240 7.1025 108.4880 43.2510 0.0000 173.1340 82 Y 4.3183 7.6535 116.5387 58.0531 38.2590 176.4030 83 E 4.4422 8.4833 121.4503 55.0437 31.0022 177.0548 84 K 4.1470 8.4915 118.4348 57.0513 32.0558 177.2646 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 A 8.26 4.32 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 2 S 8.07 4.30 0.00 3.81 3.74 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 3 A 9.19 3.55 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 4 A 8.25 5.46 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 5 K 7.08 4.52 0.00 1.60 0.96 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.30 7.81 6 G 8.79 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 7 D 8.83 3.44 0.00 2.64 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 8 H 9.36 3.96 0.00 3.48 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.63 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.93 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 *12 G 7.67 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 13 A 8.70 4.14 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 R 8.06 3.93 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 15 T 7.88 3.93 4.34 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 0.75 0.00 0.00 16 W 8.30 4.04 0.00 3.46 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 17 R 8.36 3.84 0.00 2.04 2.17 0.00 3.21 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 1.66 1.74 0.00 18 F 8.36 4.33 0.00 3.32 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 19 L 8.15 3.92 0.00 1.79 1.61 -0.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.89 3.78 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 0.79 0.00 0.00 21 F 7.99 4.87 0.00 3.13 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 22 G 8.57 4.11 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 0.00 0.00 0.00 23 L 7.67 4.51 0.00 1.64 1.74 0.90 1.18 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 24 A 8.31 3.97 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 25 L 8.44 4.00 0.00 1.89 1.84 1.21 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.31 2.13 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 27 S 8.10 4.11 0.00 4.10 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 28 V 7.77 3.55 2.24 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 0.99 0.00 0.00 1.00 0.00 0.00 29 A 8.31 4.02 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 30 L 8.07 3.91 0.00 1.85 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.15 4.15 0.00 2.88 2.85 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 0.00 0.00 0.00 32 T 7.88 3.49 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 1.08 0.00 0.00 33 L 7.39 3.90 0.00 1.88 1.94 0.93 0.83 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 34 N 8.36 4.31 0.00 2.67 2.84 0.00 0.00 7.34 7.20 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 35 S 7.71 4.03 0.00 3.25 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 36 W 7.77 5.28 0.00 3.33 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 37 L 7.53 4.79 0.00 2.01 1.81 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.36 4.82 0.00 3.19 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.33 4.72 0.00 4.12 3.61 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 40 G 9.07 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 0.00 0.00 0.00 41 H 8.71 4.23 0.00 3.15 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.42 4.12 0.00 1.84 1.89 0.00 3.26 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.80 3.92 0.00 1.93 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 2.27 2.25 0.00 44 R 8.50 4.06 0.00 1.98 1.88 0.00 2.34 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 45 P 0.00 4.47 0.00 2.31 2.17 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 46 A 8.44 4.21 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 47 F 8.86 4.54 0.00 3.01 3.04 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 48 I 6.97 4.03 1.20 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 -0.11 0.00 0.00 49 P 0.00 4.18 0.00 1.90 2.08 0.00 3.32 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.24 0.00 50 Y 7.01 4.19 0.00 2.85 2.63 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 0.00 0.00 0.00 0.00 51 H 8.95 4.40 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.22 4.76 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.10 4.77 0.00 1.61 1.58 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.64 3.84 0.00 1.94 2.02 0.00 3.35 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 55 I 7.71 3.83 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 1.45 0.77 0.90 0.00 0.00 56 R 8.14 4.33 0.00 1.67 1.69 0.00 3.18 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 57 T 7.84 4.31 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 1.18 0.00 0.00 58 K 7.20 4.29 0.00 1.58 1.51 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.29 7.81 59 P 0.00 4.19 0.00 2.07 1.90 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 60 F 7.72 3.79 0.00 2.31 1.45 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 0.00 61 S 7.98 4.47 0.00 4.09 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 62 W 7.45 5.33 0.00 3.46 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 63 G 8.47 3.72 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 0.00 0.00 0.00 64 D 8.92 4.60 0.00 2.80 2.77 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 0.00 0.00 0.00 65 G 8.41 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 0.00 0.00 0.00 66 N 8.70 4.98 0.00 2.64 2.92 0.00 0.00 6.98 7.43 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 67 H 8.15 4.87 0.00 3.16 3.19 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.26 3.47 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 1.31 0.00 0.00 69 F 8.87 2.97 0.00 2.38 2.38 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 70 F 7.50 5.02 0.00 3.14 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 71 H 7.93 4.06 0.00 3.31 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.38 4.83 0.00 2.73 2.65 0.00 0.00 7.19 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 73 P 0.00 4.32 0.00 2.11 2.19 0.00 3.75 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 2.08 2.21 0.00 74 R 7.97 4.04 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.89 4.49 2.18 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 0.83 0.00 0.00 0.97 0.00 0.00 76 N 8.66 4.84 0.00 2.59 2.82 0.00 0.00 6.98 7.90 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 77 P 0.00 4.20 0.00 1.68 0.57 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 78 L 7.96 4.40 0.00 1.71 1.56 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.33 0.00 2.05 2.16 0.00 3.64 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 2.14 2.24 0.00 80 T 7.68 4.19 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 1.19 0.00 0.00 81 G 7.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.65 4.32 0.00 2.94 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 83 E 8.48 4.44 0.00 2.04 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 2.31 2.39 0.00 84 K 8.49 4.15 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.