NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 R 4.2939 8.0976 120.8656 56.1975 32.0977 177.2594 16 Y 4.1106 8.2048 115.2995 57.9673 38.2226 175.9461 17 K 3.9217 7.8880 119.9061 58.6377 33.9426 179.8804 18 T 3.8968 7.6584 117.4203 67.0912 68.3550 176.3650 19 K 4.0434 8.0515 119.4503 59.3988 32.2439 179.2730 20 L 4.4027 7.7150 118.4702 57.8315 41.4534 178.6389 21 Y 4.2238 7.8897 119.1692 60.6601 38.4203 177.9531 22 L 3.9597 7.7036 118.4036 56.4898 41.7101 178.8660 23 W 4.3008 7.8234 118.5064 59.1963 28.9794 177.8806 24 R 4.0438 7.6399 117.6762 59.1065 29.5067 177.6297 25 N 4.8585 7.5754 111.1428 52.5524 39.0680 174.4144 26 L 3.9474 7.8165 121.1243 54.8460 42.5521 177.2086 27 G 3.8064 8.5295 114.8880 45.7663 0.0000 172.1326 28 G 4.0293 7.7809 107.0989 44.6006 0.0000 173.0969 29 L 4.1014 8.4010 119.2630 54.7896 42.0595 177.0665 30 I 4.2204 8.0555 123.3582 59.4829 38.2124 174.1917 31 P 4.3772 0.0000 0.0000 62.2221 32.1239 175.9725 32 E 4.0859 9.0694 124.2227 59.4818 29.7620 179.5554 33 D 4.5133 8.0365 115.3277 53.7535 38.9217 177.8151 *35 A 4.2432 8.1888 123.9034 53.1686 20.4870 179.7298 36 I 3.7082 8.2631 116.8766 64.8584 36.9295 178.4656 37 S 4.1620 7.9826 113.2661 60.6609 62.1287 176.4707 38 V 3.5889 7.7132 121.1459 66.2459 31.4270 178.0000 39 T 3.9877 7.7431 109.4657 64.8179 68.5878 176.4189 40 E 3.9506 8.6132 121.8555 59.1796 29.5042 179.2281 41 S 4.0780 7.9262 113.3626 61.3103 62.4036 176.3281 42 I 3.8327 7.6058 122.3715 64.4268 36.7797 178.4289 43 T 3.5170 8.1358 116.5010 66.5563 68.2232 176.4168 44 A 3.7494 7.9813 122.6223 55.0561 18.2720 179.3246 45 D 4.3355 7.8710 117.3426 57.4469 41.0069 179.2052 46 W 4.3159 8.1055 117.1218 59.3934 28.1430 178.5599 47 K 3.7099 7.4417 119.5636 59.1248 31.1905 179.0738 48 Q 3.9059 8.0225 118.9030 59.1956 29.0658 177.0176 49 Y 4.1754 7.9699 119.4791 61.0359 38.8372 177.8099 50 N 4.5440 8.3643 115.5203 55.9545 40.3562 174.8602 51 D 4.4316 7.8609 120.6952 54.5099 38.6784 176.8040 *54 S 4.3896 7.6570 119.4458 58.6635 65.7256 177.1351 55 K 3.9269 8.1300 119.5074 59.3850 31.7224 179.5313 56 V 3.5354 7.6587 117.9421 66.0410 31.4020 178.1726 57 R 3.8686 7.8069 117.0733 59.3287 30.0824 178.4306 58 N 4.3087 8.3304 116.4856 56.6871 38.7417 177.4351 59 E 4.0184 8.5275 120.0421 59.4624 29.4850 179.5853 60 T 3.8387 7.9449 115.9967 66.6478 68.4411 176.6697 61 L 3.9691 8.2821 121.2600 57.6856 41.6160 179.2437 62 D 4.3448 8.0852 118.8835 57.5858 40.8181 178.8902 63 I 3.6586 7.5356 119.7492 64.3759 37.0665 178.5870 64 L 3.6556 7.7919 119.7312 57.3035 41.3545 179.1710 65 K 3.9244 8.2501 120.1843 60.0439 31.9449 178.9334 66 T 4.0357 7.7642 108.0217 64.1794 68.8813 175.3313 67 N 4.5779 7.8876 117.1000 51.9591 39.1825 174.7679 68 K 3.8443 7.8501 118.9341 57.1830 30.3501 175.9730 69 V 3.7297 7.7207 117.1768 62.3556 32.4674 175.4288 70 A 4.2752 8.6212 129.7389 52.3384 18.6167 178.7389 71 T 3.7065 8.4959 111.4449 64.3813 69.1498 176.4247 72 E 4.1468 8.2037 120.2707 58.3702 30.0241 177.5892 73 D 4.7451 8.1718 118.1516 55.0916 41.2245 177.7865 74 Y 4.1707 8.0338 117.7108 61.4080 37.9435 178.3843 75 I 3.7974 8.1337 118.8120 64.1606 37.9656 177.9543 76 G 3.4222 7.9787 106.0054 48.0876 0.0000 175.4150 77 Y 4.1307 7.7320 118.9934 60.6021 38.0138 178.2030 78 I 3.7679 8.2519 121.0122 64.1447 37.1162 178.3126 79 A 3.9949 8.0647 121.7890 54.9244 18.2287 179.2791 80 F 3.0225 7.7836 118.8867 61.1915 39.3190 177.0396 81 A 3.8282 8.1612 120.2363 55.3202 18.1209 179.5373 82 E 3.8537 8.1806 116.8505 59.4003 29.6044 179.0822 83 E 3.9600 8.3443 119.7136 58.9870 29.6028 178.5821 84 L 3.6958 8.0358 120.4553 58.1298 42.1868 178.4802 85 A 3.9299 8.1055 121.0851 55.8716 18.2898 179.1603 86 H 4.3932 8.2579 116.3144 59.4477 29.9581 177.6012 87 Q 4.0210 8.2064 120.0933 58.8775 28.5437 178.6335 88 V 3.8737 8.2350 119.7629 65.7222 31.5398 177.9142 89 W 4.0760 8.4003 128.1738 60.3032 30.4888 178.1901 90 K 3.4724 8.1191 118.2096 59.2917 31.4251 178.9510 91 N 4.2039 8.4925 117.1143 56.2735 38.2838 177.2355 92 K 3.7810 7.7032 119.3679 59.7091 32.3321 178.1940 93 N 4.3605 7.3748 115.3533 54.9723 38.5749 175.9437 94 S 4.5023 7.8752 110.6420 57.1960 64.5524 173.6436 95 S 4.4240 8.0468 117.5598 56.9737 62.6966 172.1227 96 P 4.4591 0.0000 0.0000 64.2242 32.3239 175.9646 97 D 4.7639 7.9309 118.6095 51.1611 41.3038 173.6483 98 P 4.2882 0.0000 0.0000 65.9403 31.5826 178.3708 99 N 4.3587 8.0996 115.8130 56.5332 38.5897 177.3202 100 T 3.8820 7.9051 116.5702 66.5599 68.5217 176.7094 101 A 4.0390 8.1097 122.7036 55.2115 18.3567 179.5066 102 N 4.3656 8.6334 115.3855 56.6536 38.7259 177.5473 103 E 3.9982 8.3561 119.7196 59.2290 29.4556 179.3700 104 A 4.0441 7.9585 120.8818 55.0208 18.4631 179.5807 105 S 4.2243 8.3008 113.8809 61.7671 62.8824 176.7285 106 K 3.9799 8.2799 121.9682 60.0040 31.8828 178.6668 107 T 3.8560 7.7987 115.5914 66.7963 68.5620 176.1055 108 D 4.3413 8.2636 119.6554 57.4905 41.3318 178.2533 109 L 4.4200 8.3997 119.6447 57.7217 41.7142 179.2195 110 E 4.1063 9.2483 119.1812 59.4452 29.2999 179.5551 111 S 4.1355 8.2073 115.2712 61.3907 62.8406 176.6181 112 K 3.8642 8.0347 121.9250 59.9600 32.0184 178.5056 113 Y 4.1786 8.4214 116.7543 60.6688 37.8104 178.4119 114 S 4.3471 8.2447 117.7849 61.3382 62.8292 176.4319 115 D 4.2841 8.2275 120.5109 57.0973 40.6901 178.4087 116 V 3.7117 7.7388 117.3095 63.8974 31.8514 175.9721 117 Y 4.6204 7.3811 112.3685 56.7913 39.0268 175.6795 118 G 3.9488 8.1308 107.3628 46.3187 0.0000 174.3188 119 L 4.1592 7.6690 119.3591 53.7778 42.6086 175.7733 120 D 4.7919 9.0843 121.2383 53.7304 42.2336 177.8179 121 V 3.6115 8.4346 126.5932 66.0739 31.5841 177.9771 122 T 3.8320 7.8937 115.6508 66.6205 68.2326 176.7014 123 V 3.4923 7.6484 119.5545 65.8291 31.5606 177.7160 124 L 3.6421 7.9312 118.7544 57.9003 41.4019 179.2200 125 D 4.4665 8.5228 118.8107 57.4904 40.7444 178.8516 126 A 4.0812 7.8311 120.7863 55.0205 18.3630 179.7553 127 I 3.6899 8.0878 118.6280 64.5877 37.3321 177.6704 128 Y 4.1214 8.4875 120.6021 61.2359 38.3894 178.3875 129 N 4.4452 8.2243 115.0704 55.9088 37.9062 176.9612 130 A 4.1507 7.7756 122.2025 54.8185 18.7702 179.8355 131 V 3.7186 7.8777 116.8705 65.8484 31.3570 178.1011 132 I 3.4814 6.9949 118.3646 64.1804 37.0652 176.1956 133 P 4.3447 0.0000 0.0000 65.5195 31.1725 178.5595 134 I 3.8890 6.9207 118.1744 64.3923 37.1224 178.4384 135 I 4.1711 7.2187 117.4273 61.7602 37.2940 176.4168 *137 G 3.7164 8.1016 114.8245 45.9035 0.0000 173.4162 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 15 R 8.10 4.29 0.00 1.88 2.04 0.00 3.17 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 Y 8.20 4.11 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 17 K 7.89 3.92 0.00 1.74 1.36 0.00 1.39 0.00 0.00 1.68 0.00 0.00 2.57 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.27 7.81 18 T 7.66 3.90 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 1.21 0.00 0.00 19 K 8.05 4.04 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.56 7.81 20 L 7.71 4.40 0.00 2.10 1.92 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.89 4.22 0.00 3.11 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 22 L 7.70 3.96 0.00 1.58 1.52 0.90 0.92 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 23 W 7.82 4.30 0.00 3.41 3.13 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 0.00 0.00 0.00 0.00 24 R 7.64 4.04 0.00 1.48 1.87 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 25 N 7.58 4.86 0.00 2.55 2.75 0.00 0.00 6.83 7.85 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 26 L 7.82 3.95 0.00 1.70 1.59 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.53 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 28 G 7.78 4.03 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 0.00 0.00 0.00 29 L 8.40 4.10 0.00 1.66 1.63 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.06 4.22 1.88 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 1.42 0.51 0.92 0.00 0.00 31 P 0.00 4.38 0.00 2.18 1.99 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 32 E 9.07 4.09 0.00 2.00 1.96 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 2.38 2.32 0.00 33 D 8.04 4.51 0.00 2.86 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 *35 A 8.19 4.24 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 36 I 8.26 3.71 2.00 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 1.52 0.97 0.92 0.00 0.00 37 S 7.98 4.16 0.00 3.86 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 38 V 7.71 3.59 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 1.05 0.00 0.00 0.94 0.00 0.00 39 T 7.74 3.99 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 1.23 0.00 0.00 40 E 8.61 3.95 0.00 2.06 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 2.32 2.48 0.00 41 S 7.93 4.08 0.00 3.94 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 42 I 7.61 3.83 2.08 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 1.56 0.55 1.03 0.00 0.00 43 T 8.14 3.52 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 0.92 0.00 0.00 44 A 7.98 3.75 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 45 D 7.87 4.34 0.00 3.00 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 46 W 8.11 4.32 0.00 3.49 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 47 K 7.44 3.71 0.00 1.38 1.58 0.00 1.23 0.00 0.00 1.23 0.00 0.00 2.62 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.21 7.81 48 Q 8.02 3.91 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 49 Y 7.97 4.18 0.00 3.09 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 50 N 8.36 4.54 0.00 2.97 3.01 0.00 0.00 7.05 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 51 D 7.86 4.43 0.00 2.87 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 *54 S 7.66 4.39 0.00 4.16 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 55 K 8.13 3.93 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.57 7.81 56 V 7.66 3.54 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 1.01 0.00 0.00 0.86 0.00 0.00 57 R 7.81 3.87 0.00 1.85 1.96 0.00 3.37 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 58 N 8.33 4.31 0.00 2.75 2.87 0.00 0.00 7.12 8.19 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 59 E 8.53 4.02 0.00 2.11 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 2.31 2.33 0.00 60 T 7.94 3.84 4.38 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 1.18 0.00 0.00 61 L 8.28 3.97 0.00 1.82 1.79 0.97 1.13 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 62 D 8.09 4.34 0.00 2.86 2.70 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 63 I 7.54 3.66 1.91 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 1.48 0.52 0.76 0.00 0.00 64 L 7.79 3.66 0.00 1.44 1.04 -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.25 3.92 0.00 1.96 2.00 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 66 T 7.76 4.04 4.22 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 1.28 0.00 0.00 67 N 7.89 4.58 0.00 2.68 2.78 0.00 0.00 7.09 7.73 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 68 K 7.85 3.84 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.36 7.81 69 V 7.72 3.73 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 0.82 0.00 0.00 0.60 0.00 0.00 70 A 8.62 4.28 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 71 T 8.50 3.71 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 1.04 0.00 0.00 72 E 8.20 4.15 0.00 2.02 2.10 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 2.34 2.41 0.00 73 D 8.17 4.75 0.00 3.15 2.89 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 74 Y 8.03 4.17 0.00 3.21 3.13 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 0.00 0.00 0.00 0.00 75 I 8.13 3.80 1.91 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 1.57 1.19 0.97 0.00 0.00 76 G 7.98 3.42 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 0.00 77 Y 7.73 4.13 0.00 2.92 2.89 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 78 I 8.25 3.77 1.97 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 1.65 1.28 0.93 0.00 0.00 79 A 8.06 3.99 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 80 F 7.78 3.02 0.00 1.78 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 81 A 8.16 3.83 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 82 E 8.18 3.85 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 2.27 2.42 0.00 83 E 8.34 3.96 0.00 2.20 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 2.38 2.41 0.00 84 L 8.04 3.70 0.00 0.98 1.36 1.00 1.14 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 85 A 8.11 3.93 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 86 H 8.26 4.39 0.00 3.31 3.48 0.00 5.61 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 87 Q 8.21 4.02 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 88 V 8.23 3.87 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 1.01 0.00 0.00 0.99 0.00 0.00 89 W 8.40 4.08 0.00 3.51 3.46 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 90 K 8.12 3.47 0.00 2.01 1.80 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 2.00 7.81 91 N 8.49 4.20 0.00 2.85 2.84 0.00 0.00 6.70 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 92 K 7.70 3.78 0.00 1.77 1.77 0.00 1.92 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 93 N 7.37 4.36 0.00 1.94 2.41 0.00 0.00 6.85 7.33 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 94 S 7.88 4.50 0.00 3.83 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 95 S 8.05 4.42 0.00 3.79 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 96 P 0.00 4.46 0.00 2.20 2.13 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 97 D 7.93 4.76 0.00 2.66 2.51 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 0.00 0.00 0.00 0.00 98 P 0.00 4.29 0.00 2.27 2.42 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 99 N 8.10 4.36 0.00 2.77 2.93 0.00 0.00 7.18 7.05 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 0.00 100 T 7.91 3.88 4.44 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 1.22 0.00 0.00 101 A 8.11 4.04 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 0.00 102 N 8.63 4.37 0.00 3.01 3.03 0.00 0.00 7.01 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 0.00 103 E 8.36 4.00 0.00 2.16 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 2.61 2.50 0.00 104 A 7.96 4.04 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 0.00 105 S 8.30 4.22 0.00 4.19 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 0.00 106 K 8.28 3.98 0.00 1.49 1.87 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.23 1.02 7.81 107 T 7.80 3.86 4.38 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 1.22 0.00 0.00 108 D 8.26 4.34 0.00 2.88 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 0.00 109 L 8.40 4.42 0.00 2.09 2.07 0.88 1.39 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 0.00 110 E 9.25 4.11 0.00 2.12 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 2.31 2.68 0.00 111 S 8.21 4.14 0.00 4.07 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 0.00 112 K 8.03 3.86 0.00 1.95 2.13 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.07 1.36 7.81 113 Y 8.42 4.18 0.00 3.33 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 0.00 114 S 8.24 4.35 0.00 3.91 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 0.00 115 D 8.23 4.28 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 116 V 7.74 3.71 1.65 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 -0.03 0.00 0.00 0.76 0.00 0.00 117 Y 7.38 4.62 0.00 3.12 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 0.00 118 G 8.13 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 0.00 119 L 7.67 4.16 0.00 1.93 1.41 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 120 D 9.08 4.79 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.43 3.61 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 0.93 0.00 0.00 0.92 0.00 0.00 122 T 7.89 3.83 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 1.19 0.00 0.00 123 V 7.65 3.49 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 0.49 0.00 0.00 0.82 0.00 0.00 124 L 7.93 3.64 0.00 1.72 1.15 0.70 -0.02 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 0.00 125 D 8.52 4.47 0.00 2.90 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 0.00 126 A 7.83 4.08 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 0.00 127 I 8.09 3.69 2.16 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.10 0.00 0.00 128 Y 8.49 4.12 0.00 3.38 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 0.00 129 N 8.22 4.45 0.00 2.95 2.92 0.00 0.00 7.10 7.36 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 0.00 130 A 7.78 4.15 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 0.00 131 V 7.88 3.72 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 0.90 0.00 0.00 0.90 0.00 0.00 132 I 6.99 3.48 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.06 0.81 0.00 0.00 133 P 0.00 4.34 0.00 1.98 2.09 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 134 I 6.92 3.89 1.97 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 1.49 0.56 0.87 0.00 0.00 135 I 7.22 4.17 1.86 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 1.49 0.45 1.01 0.00 0.00 *137 G 8.10 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 * Residues marked with a * may have inaccurate shift predictions.