NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.3031 8.0427 120.6283 54.9214 43.8746 178.2921 32 E 3.6568 8.2358 118.6107 58.4630 28.8681 175.2730 33 E 3.9811 8.1697 118.9827 59.0224 30.4082 177.4971 34 Q 3.6365 8.0846 118.8412 58.5987 29.0120 177.9634 35 L 4.0744 8.0829 121.5461 57.8676 42.2234 178.0719 36 N 4.3122 7.6600 115.4794 56.3726 39.0336 176.5719 37 K 4.0374 9.1467 122.1011 59.6680 32.5056 178.6262 38 S 4.0243 7.7414 113.3458 61.5640 62.0799 176.0911 39 L 4.0424 7.8894 122.6892 57.4752 40.4335 177.8085 40 K 4.2562 8.2043 117.6270 57.4272 32.1671 178.1682 41 T 3.9706 7.4443 115.1467 66.9323 69.1166 176.4824 42 I 3.6863 7.7381 121.3012 64.7058 37.3360 178.3979 43 A 4.2193 8.2240 121.2983 54.6039 17.9004 179.4473 44 S 4.2950 7.2135 111.6835 60.7738 63.6933 176.6005 45 Q 4.0907 8.3543 122.2362 58.6654 28.6256 178.4174 46 K 3.8487 8.6305 121.0165 59.5664 32.3261 178.4776 47 A 4.1980 7.7224 118.0913 53.5987 18.6323 178.7082 48 A 4.2906 7.8520 119.2245 54.6422 19.0782 179.8145 49 I 3.8915 7.6326 110.9983 63.7188 37.5287 177.6594 50 E 4.2652 8.2050 120.6625 58.7944 29.2029 178.5551 51 N 4.4375 7.9237 116.6577 56.5780 38.5461 176.3607 52 Y 4.0305 7.9173 120.6541 60.3038 38.9571 176.9230 53 N 3.9931 8.7929 118.3870 55.8421 38.7850 175.7547 54 Q 4.3387 7.7386 116.8749 56.7766 30.4157 177.0372 55 L 4.2417 7.4284 119.6174 57.3616 41.7436 178.0784 56 K 3.9413 8.5012 119.3810 58.1080 32.0098 178.0320 57 E 3.9233 7.6824 118.4832 59.2713 29.8175 177.5654 58 D 4.6631 7.9332 119.5147 55.5363 40.9681 177.4741 59 Y 4.3089 7.8202 119.1836 59.4419 38.4304 176.3616 60 N 4.4293 7.7561 117.1759 55.7395 38.5388 176.9883 61 T 4.0689 7.6214 109.1060 63.5071 69.0517 176.3703 62 L 4.1668 7.2497 120.9647 56.7141 42.5515 178.5741 63 K 3.7701 7.4442 119.6831 58.8648 31.8101 178.0834 64 R 4.3270 7.5519 113.4862 57.0268 29.8388 177.7273 65 E 4.1441 7.9931 119.9228 58.4573 29.8534 178.3541 66 L 3.9084 7.6552 118.6610 58.0733 41.7505 179.4283 67 S 4.3598 7.5537 114.9605 61.1936 61.1546 176.4546 68 D 4.3062 7.7878 120.5620 57.1900 40.9303 178.3879 69 R 4.3088 8.3035 119.0420 58.8366 30.3326 178.4571 70 D 4.4748 8.9053 119.5682 56.8894 40.6480 178.4158 71 D 4.3859 7.7164 120.2114 57.2611 40.7517 178.4939 72 E 3.9542 7.6007 118.5648 59.2446 29.4724 179.2555 73 V 3.5833 7.6895 118.4005 66.0850 31.4725 177.8219 74 K 3.9229 8.3500 119.4271 59.3106 32.1404 178.5986 75 R 3.9078 8.1983 118.2198 59.5614 30.0788 179.1159 76 L 4.0614 8.5007 118.3226 58.1135 41.8092 179.7124 77 R 3.4214 8.0946 117.8637 59.2965 29.8775 179.1105 78 E 3.9573 8.2273 118.4026 59.3258 29.6051 178.8427 79 D 4.3154 8.0175 118.7771 57.5744 40.7123 178.6981 80 I 3.6311 8.3768 119.6019 64.2423 37.4407 177.7019 81 A 4.1454 7.9253 121.2254 55.5960 18.2419 179.6911 82 K 3.8475 8.0117 116.3944 59.7581 31.9837 179.1649 83 E 4.0245 7.8711 117.3880 58.8071 29.6136 177.8931 84 N 4.5949 8.1049 115.8798 55.0988 38.2825 177.0673 85 E 4.1070 8.0396 120.4620 58.5912 29.4716 177.6847 86 L 4.5626 7.6319 116.7792 54.7873 43.0448 177.4954 87 R 4.4468 7.7174 116.1506 57.5113 30.1665 176.9996 88 T 4.4519 7.6687 114.9819 63.9069 68.3917 175.9153 89 K 4.1434 7.5082 116.8736 57.0013 31.4597 177.6089 90 A 4.2793 7.6977 120.1901 53.3700 18.3181 178.8696 91 E 4.2599 7.8351 117.2737 58.3876 29.9928 178.4010 92 E 3.9749 7.5844 117.1221 59.5671 29.8313 178.7699 93 E 3.9620 7.7723 118.9515 57.4415 30.0157 178.3214 94 A 4.1302 7.4116 118.6925 55.7384 18.8297 179.3946 95 D 4.3699 8.0540 116.8543 57.1929 40.6499 179.1635 96 K 4.1248 8.2740 118.4243 58.1993 32.1824 178.1318 97 L 4.5965 7.6673 117.0892 54.7527 42.4007 177.7229 98 N 4.4787 7.8215 117.1102 55.3048 38.9584 177.2265 99 K 4.0035 7.9915 120.3565 59.8125 32.8600 178.8522 100 E 4.4556 8.1110 121.3974 58.6179 29.6552 178.8543 101 V 3.6385 7.4972 118.2628 65.6004 31.1625 177.7129 102 E 3.8712 7.8803 119.3347 59.9987 29.5622 177.6031 103 D 4.2479 8.7207 117.5116 58.0740 40.7573 178.9480 104 L 3.9508 8.2466 118.4199 58.9664 42.0007 180.3051 105 T 3.5621 7.9342 113.9991 66.1032 68.2357 176.6656 106 A 3.8449 9.0777 124.1616 54.8105 18.3398 179.9299 107 S 4.1068 8.7944 114.8194 61.7153 63.0012 176.7661 108 L 4.0681 8.5997 122.5094 57.8731 40.9491 179.1316 109 F 4.0605 9.2269 121.6776 62.2386 39.2136 175.8284 110 D 4.5024 8.6571 118.4329 56.1556 40.7814 177.4438 111 E 4.2226 9.3646 124.3889 59.7860 30.1456 178.6731 112 A 3.9980 8.5450 122.0709 55.0584 18.2334 179.1770 113 N 4.1998 7.9441 113.1333 55.8560 38.4552 177.1887 114 N 4.0572 8.6377 118.9226 56.5571 38.7609 176.6938 115 L 3.7936 7.8597 121.7916 58.0628 42.2234 179.0514 116 V 3.6182 7.6168 117.2047 65.4939 31.2574 177.5804 117 A 3.9645 8.4358 120.6611 54.6182 18.1798 178.2576 118 D 4.4802 7.2730 114.8320 56.4706 41.8796 178.2290 119 A 4.1382 8.1145 120.6946 54.4259 18.5801 177.6886 120 R 3.9464 8.1376 117.1662 57.0133 30.1592 177.8971 *122 E 4.3177 8.1878 115.8738 55.9934 31.1556 176.5922 123 K 4.3979 8.4023 117.9165 56.4376 32.8184 176.4782 124 Y 5.2903 7.8571 116.5379 58.1891 40.3271 177.5468 125 A 4.0720 8.3101 121.3055 55.5845 18.2434 179.6353 126 I 3.6841 7.7778 117.5418 64.6456 37.1189 177.4825 127 E 3.9196 8.1433 118.4798 60.5580 29.2730 179.3743 128 I 3.8807 7.6187 118.7153 63.3339 37.5102 177.9653 129 L 4.0170 7.3373 121.8614 57.9126 40.6406 177.9357 130 N 4.5393 8.6506 116.6546 55.5780 38.8292 176.8936 131 K 4.3254 7.8758 120.2383 59.3735 32.5361 178.9314 132 R 3.6156 7.8446 115.4642 58.1828 29.2027 178.0115 133 L 4.1913 7.3182 119.2296 56.9614 42.4111 177.3035 134 T 4.3775 7.0437 113.8002 65.5898 69.5017 176.5871 135 E 4.0230 8.9391 119.4332 58.7059 29.5886 177.9816 136 Q 4.5150 7.5314 115.1785 55.5501 30.4644 176.1572 137 L 4.4681 7.5524 120.3816 55.5822 42.7962 177.6204 138 R 4.1080 7.9962 116.5894 58.2436 30.2858 177.0950 139 E 4.1434 8.0762 117.6634 57.3594 29.9760 176.4129 140 K 4.3890 7.6864 117.2467 56.0787 32.8202 175.6438 141 D 4.5757 7.7573 122.4687 55.1999 41.1940 175.7850 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 31 L 8.04 4.30 0.00 1.72 1.78 0.92 0.49 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 32 E 8.24 3.66 0.00 2.15 1.98 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 2.39 2.48 0.00 33 E 8.17 3.98 0.00 2.11 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 2.34 2.41 0.00 34 Q 8.08 3.64 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 35 L 8.08 4.07 0.00 1.78 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.66 4.31 0.00 2.80 2.86 0.00 0.00 7.29 7.39 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 37 K 9.15 4.04 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 S 7.74 4.02 0.00 4.02 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 39 L 7.89 4.04 0.00 1.96 1.84 0.92 0.29 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 40 K 8.20 4.26 0.00 1.90 1.76 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.52 7.81 41 T 7.44 3.97 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 1.21 0.00 0.00 42 I 7.74 3.69 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 1.45 0.89 0.91 0.00 0.00 43 A 8.22 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.21 4.30 0.00 4.13 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 45 Q 8.35 4.09 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 46 K 8.63 3.85 0.00 1.70 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.54 7.81 47 A 7.72 4.20 1.36 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 48 A 7.85 4.29 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 49 I 7.63 3.89 1.90 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 1.74 0.97 0.93 0.00 0.00 50 E 8.21 4.27 0.00 2.11 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 2.32 2.37 0.00 51 N 7.92 4.44 0.00 2.97 2.89 0.00 0.00 6.47 8.62 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 52 Y 7.92 4.03 0.00 3.07 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 53 N 8.79 3.99 0.00 2.91 2.96 0.00 0.00 7.03 7.72 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 54 Q 7.74 4.34 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 55 L 7.43 4.24 0.00 1.78 1.43 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.50 3.94 0.00 1.15 1.63 0.00 1.43 0.00 0.00 1.25 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 57 E 7.68 3.92 0.00 2.24 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 0.00 2.29 2.34 0.00 58 D 7.93 4.66 0.00 2.86 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 59 Y 7.82 4.31 0.00 2.96 2.97 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 60 N 7.76 4.43 0.00 2.75 2.83 0.00 0.00 6.59 6.93 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 61 T 7.62 4.07 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 1.25 0.00 0.00 62 L 7.25 4.17 0.00 1.68 1.64 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.44 3.77 0.00 1.28 1.53 0.00 1.07 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.22 7.81 64 R 7.55 4.33 0.00 2.07 2.09 0.00 2.79 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 65 E 7.99 4.14 0.00 2.17 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 0.00 2.25 2.64 0.00 66 L 7.66 3.91 0.00 1.77 1.67 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.55 4.36 0.00 3.89 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 68 D 7.79 4.31 0.00 2.97 2.75 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 69 R 8.30 4.31 0.00 2.00 1.94 0.00 3.33 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 70 D 8.91 4.47 0.00 2.77 2.71 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 71 D 7.72 4.39 0.00 2.91 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 72 E 7.60 3.95 0.00 2.26 1.98 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 2.32 2.30 0.00 73 V 7.69 3.58 2.26 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 0.99 0.00 0.00 0.99 0.00 0.00 74 K 8.35 3.92 0.00 1.93 1.95 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.47 7.81 75 R 8.20 3.91 0.00 2.00 1.99 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 76 L 8.50 4.06 0.00 1.68 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.09 3.42 0.00 1.92 2.00 0.00 3.28 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 78 E 8.23 3.96 0.00 2.30 1.98 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 2.32 2.54 0.00 79 D 8.02 4.32 0.00 2.83 2.71 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 I 8.38 3.63 1.93 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 1.45 0.58 0.91 0.00 0.00 81 A 7.93 4.15 1.37 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 0.00 0.00 0.00 82 K 8.01 3.85 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 83 E 7.87 4.02 0.00 2.02 2.17 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 2.32 2.40 0.00 84 N 8.10 4.59 0.00 2.93 2.84 0.00 0.00 6.84 7.60 0.00 0.00 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 E 8.04 4.11 0.00 2.13 1.98 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 2.31 2.52 0.00 86 L 7.63 4.56 0.00 1.61 1.67 0.92 0.81 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 87 R 7.72 4.45 0.00 1.93 2.43 0.00 2.96 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 88 T 7.67 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 89 K 7.51 4.14 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 90 A 7.70 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 91 E 7.84 4.26 0.00 2.20 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 0.00 2.36 2.52 0.00 92 E 7.58 3.97 0.00 2.26 2.19 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 2.29 2.33 0.00 93 E 7.77 3.96 0.00 1.93 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 2.32 0.00 94 A 7.41 4.13 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 95 D 8.05 4.37 0.00 2.73 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 96 K 8.27 4.12 0.00 1.76 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 97 L 7.67 4.60 0.00 1.75 1.66 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.82 4.48 0.00 2.87 2.84 0.00 0.00 6.87 7.02 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 99 K 7.99 4.00 0.00 2.01 2.05 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.43 7.81 100 E 8.11 4.46 0.00 2.10 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 0.00 2.38 2.29 0.00 101 V 7.50 3.64 2.29 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 0.94 0.00 0.00 0.99 0.00 0.00 102 E 7.88 3.87 0.00 2.00 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 0.00 2.26 2.34 0.00 103 D 8.72 4.25 0.00 2.81 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 0.00 104 L 8.25 3.95 0.00 1.73 1.76 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.93 3.56 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 0.00 106 A 9.08 3.84 1.28 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 0.00 0.00 107 S 8.79 4.11 0.00 4.08 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 0.00 108 L 8.60 4.07 0.00 1.87 1.75 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.23 4.06 0.00 3.18 3.19 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 0.00 110 D 8.66 4.50 0.00 3.05 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 0.00 111 E 9.36 4.22 0.00 1.88 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 2.56 2.50 0.00 112 A 8.54 4.00 1.23 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 0.00 0.00 0.00 113 N 7.94 4.20 0.00 2.49 2.76 0.00 0.00 6.80 6.80 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 0.00 114 N 8.64 4.06 0.00 2.83 2.90 0.00 0.00 6.78 6.63 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 0.00 115 L 7.86 3.79 0.00 2.12 1.60 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.62 3.62 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 1.00 0.00 0.00 0.92 0.00 0.00 117 A 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 118 D 7.27 4.48 0.00 2.61 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 0.00 119 A 8.11 4.14 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 0.00 120 R 8.14 3.95 0.00 1.82 1.71 0.00 3.13 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 *122 E 8.19 4.32 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 2.21 2.44 0.00 123 K 8.40 4.40 0.00 1.58 1.64 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.57 7.81 124 Y 7.86 5.29 0.00 2.99 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 0.00 125 A 8.31 4.07 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.78 3.68 1.90 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 1.65 0.90 0.93 0.00 0.00 127 E 8.14 3.92 0.00 2.45 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 2.59 2.53 0.00 128 I 7.62 3.88 1.87 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 1.49 1.40 0.90 0.00 0.00 129 L 7.34 4.02 0.00 1.99 1.75 0.93 0.47 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 0.00 130 N 8.65 4.54 0.00 2.85 2.80 0.00 0.00 7.36 6.31 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 0.00 131 K 7.88 4.33 0.00 2.02 2.03 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 132 R 7.84 3.62 0.00 1.99 2.29 0.00 2.76 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 133 L 7.32 4.19 0.00 1.74 1.80 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.04 4.38 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 1.21 0.00 0.00 135 E 8.94 4.02 0.00 2.04 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 0.00 2.55 2.35 0.00 136 Q 7.53 4.52 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 137 L 7.55 4.47 0.00 1.81 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.00 4.11 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 139 E 8.08 4.14 0.00 1.92 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 0.00 2.26 2.28 0.00 140 K 7.69 4.39 0.00 1.78 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.38 7.81 141 D 7.76 4.58 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.