NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7102 8.2833 118.3524 53.0963 39.7838 171.9016 3 T 4.8469 7.9774 114.4005 62.2295 72.7880 171.7744 4 Y 4.8426 9.4084 119.8631 57.1559 43.2740 174.3021 5 S 5.1832 8.8589 119.6076 56.8861 65.7916 173.3408 6 I 4.4921 8.6832 126.0477 59.7077 39.9631 174.8627 7 T 5.0625 8.4784 124.8257 62.1942 70.2535 174.8477 8 L 4.9008 9.1344 126.7397 52.3372 45.3905 173.0075 9 P 4.8161 0.0000 0.0000 61.5539 32.3489 176.0188 10 W 4.1727 8.8730 132.7232 57.0210 31.1018 173.9910 11 P 3.7002 0.0000 0.0000 60.0946 32.4178 173.7252 12 P 4.2410 0.0000 0.0000 62.4209 31.8734 176.4832 13 S 4.0099 9.3433 115.7919 60.3211 63.0498 175.0416 14 N 3.1400 8.8264 118.0990 52.6440 40.5946 179.0694 15 N 3.5579 6.8761 117.4111 56.3923 43.3083 176.3950 16 R 4.1546 9.1477 118.6178 59.2322 30.0527 180.4635 17 Y 3.9428 7.9637 120.2280 59.9233 38.8878 175.5258 18 Y 4.6957 8.0503 117.4251 57.0446 42.0545 174.7613 19 R 4.8523 8.4017 119.5605 54.9581 33.6112 176.2235 20 H 4.8155 8.1839 107.6822 56.2100 29.0353 172.1538 *27 V 3.9261 7.2335 112.6247 61.5055 33.3571 175.3605 28 S 4.6798 7.5315 113.4342 56.2106 65.8411 174.2437 29 A 3.8800 8.2196 125.1609 55.5201 18.2335 179.8510 30 E 4.1177 8.1454 116.3212 59.0314 29.2982 179.7856 31 G 2.9063 7.5789 106.1771 47.6159 0.0000 174.5526 32 Q 3.6560 8.2175 121.8032 59.0636 28.8491 178.4645 33 A 3.9969 8.7034 121.1619 55.8163 18.5151 178.5950 34 Y 4.2400 8.0449 117.3150 61.4915 38.5627 178.3952 35 R 3.7143 8.2075 117.8164 60.0336 30.2638 178.2077 36 D 4.3363 8.1300 119.0970 58.4594 40.7453 179.4440 37 N 4.2224 8.0930 119.7981 57.9741 37.9370 178.8650 38 V 3.6147 8.0674 120.9454 66.0694 31.4054 177.8294 39 A 3.9635 9.4174 120.2396 54.5613 17.6887 178.6939 40 R 4.3672 8.0803 114.8509 57.3446 30.1722 178.6484 41 I 3.6170 7.9902 121.7788 63.8612 35.5177 182.4202 42 I 4.1611 7.3363 120.5067 64.7107 37.7688 178.6796 43 K 4.1915 8.1959 123.5336 59.2140 31.8631 180.9277 44 N 4.6683 7.6845 115.1045 56.8658 38.4016 176.8570 45 A 4.1178 7.4346 117.2385 51.7758 19.5989 177.2834 46 M 3.1497 7.6770 118.9488 57.4720 29.2022 177.3927 47 L 4.9862 8.5202 116.3682 54.0156 43.2295 177.9679 48 D 4.6709 8.2685 117.2748 54.7818 40.0109 176.6550 49 I 4.2197 8.0682 110.5889 60.7237 38.4080 175.7473 50 G 3.9230 8.1317 108.0915 46.4194 0.0000 173.1350 51 L 3.8309 8.2699 122.6538 55.6132 42.8108 176.3833 52 A 4.2753 7.9221 127.0719 54.0153 20.4854 179.6107 53 M 4.2221 7.5376 114.6181 54.8899 32.4564 174.2896 54 P 4.6856 0.0000 0.0000 63.0024 33.6450 175.7197 55 V 4.8905 8.8611 113.2589 59.7596 36.1065 174.7660 56 K 5.0945 9.0286 125.7328 55.0106 34.7070 175.0278 57 I 5.2957 9.4941 126.6162 59.7039 42.0391 174.2110 58 R 5.1786 8.8976 124.5722 54.8220 33.4271 173.7933 59 I 4.5909 9.4170 128.5043 59.7363 39.2659 174.7701 60 E 4.6319 9.4422 128.9987 56.0926 30.6465 176.0818 61 C 4.8955 9.7370 125.6601 58.6364 28.6202 171.7797 62 H 4.7416 9.7298 120.5313 55.3006 28.7826 174.6778 63 M 4.0799 8.5780 124.3784 54.7627 32.5050 176.1404 64 P 4.5925 0.0000 0.0000 63.8634 32.3072 174.9489 65 D 4.4288 7.1329 115.5096 53.2127 41.2395 175.2935 66 R 4.4305 8.4934 121.6635 56.9872 30.2669 177.2453 67 R 4.1845 7.7546 118.9172 55.7169 30.2299 180.8313 68 R 4.0119 8.6821 121.5506 57.2922 29.5515 176.8893 69 R 4.7923 8.2511 120.7605 53.4540 32.5478 170.9088 70 N 4.6823 8.7392 120.5668 52.0684 39.6098 176.3073 71 L 4.1463 8.7183 123.6904 57.6564 41.4579 178.8793 72 D 4.3817 8.2298 118.7930 57.0880 38.8447 178.6915 73 N 4.3087 7.9490 117.1388 55.7540 38.4420 177.4911 74 L 3.5750 7.2655 117.2338 57.6732 41.8053 178.8833 75 Q 3.5195 7.7197 119.6029 59.7627 28.8536 178.4854 76 K 3.6904 8.9285 120.8407 59.5922 32.0747 178.3242 77 A 3.6568 8.3861 120.3086 55.4630 18.3079 178.5529 78 A 3.8615 8.3893 118.2512 55.8371 18.2253 179.4357 79 F 4.5337 8.7083 113.8247 60.8455 39.3697 177.4853 80 D 4.5276 8.4936 116.8387 58.4594 40.9896 177.6111 81 A 3.9515 9.3656 120.7096 54.8987 18.0216 180.8665 82 L 3.3520 7.8796 114.4828 56.6911 42.1061 179.8285 83 T 3.8105 8.2392 115.9005 66.8646 68.3814 177.1758 84 K 4.1412 8.1578 118.5798 58.9297 32.0373 178.9017 85 A 4.2598 8.3342 118.0470 51.5839 18.0069 177.1665 86 G 3.9559 7.8058 106.2859 47.2296 0.0000 176.0650 87 F 4.6467 7.4629 121.4367 58.3367 39.8877 175.7747 88 W 4.6182 6.1823 118.7478 54.8757 29.6142 176.3504 89 L 4.1586 8.1589 119.2438 56.6588 41.6937 176.7698 90 D 4.9517 9.2276 117.4835 51.9657 43.8184 176.8044 91 D 3.3700 8.5792 124.8101 55.1794 39.5857 177.9117 92 A 3.5009 8.0569 122.8849 54.7234 18.5650 178.6766 93 Q 3.7367 7.8151 115.2177 58.1927 28.8073 176.0679 94 V 4.3596 7.6617 117.4593 62.6485 30.4086 175.8653 95 V 3.8979 8.0120 120.5536 62.3024 32.2568 176.2498 96 D 4.5631 7.5867 118.6841 53.7262 43.3789 173.4109 97 Y 5.5321 8.5388 124.0893 55.2109 41.2905 174.5145 98 R 4.5378 9.4193 123.4845 54.5168 32.7718 174.1542 99 V 4.9171 8.5086 126.2267 61.1307 33.8324 174.6998 100 V 4.4115 8.8725 127.5679 60.5527 34.6926 173.9902 101 K 4.4554 9.0044 129.3284 57.5623 32.4499 175.7843 102 M 4.7245 9.4119 128.5180 52.9636 34.7938 174.0121 103 P 4.5806 0.0000 0.0000 62.1076 32.6546 176.1707 104 V 3.9540 8.3192 120.8112 64.5016 32.1003 175.1889 105 T 4.7386 9.1915 121.0119 61.4411 73.6842 173.2889 106 K 3.8477 8.6737 122.7153 58.0441 32.1534 177.5610 107 G 3.9003 8.8617 114.4784 44.5846 0.0000 174.1487 108 G 3.7045 8.0609 107.4692 45.4965 0.0000 172.8433 109 R 4.7924 9.2010 123.7798 54.4898 32.9044 175.1284 110 L 5.2430 8.8719 123.1579 53.0540 44.2895 175.3785 111 E 5.0206 9.3789 122.9549 54.7909 32.9751 174.4420 112 L 5.2757 9.4850 126.6033 53.0907 44.4633 176.0316 113 T 5.2220 8.5547 112.6616 60.2473 72.1514 172.9225 114 I 5.7299 8.9421 122.9017 60.0684 42.8800 174.3115 115 T 4.8182 8.5337 114.0217 61.8976 71.6010 173.0280 116 E 4.7415 8.5136 126.5335 54.7773 30.0004 173.9606 117 M 4.4310 8.0956 129.9526 53.8646 29.1906 177.4708 118 G 3.7376 7.7460 110.9343 45.8541 0.0000 171.9241 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 2 N 8.28 4.71 0.00 2.68 2.94 0.00 0.00 5.90 6.34 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 3 T 7.98 4.85 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 1.24 0.00 0.00 4 Y 9.41 4.84 0.00 2.95 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 5 S 8.86 5.18 0.00 3.72 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 6 I 8.68 4.49 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.82 0.77 0.00 0.00 7 T 8.48 5.06 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 1.23 0.00 0.00 8 L 9.13 4.90 0.00 1.21 1.45 0.92 0.88 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 9 P 0.00 4.82 0.00 2.35 2.19 0.00 3.74 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 2.14 2.17 0.00 10 W 8.87 4.17 0.00 3.68 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 11 P 0.00 3.70 0.00 1.55 0.97 0.00 2.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 12 P 0.00 4.24 0.00 2.13 2.05 0.00 3.47 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 13 S 9.34 4.01 0.00 4.05 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 0.00 14 N 8.83 3.14 0.00 2.80 2.66 0.00 0.00 6.96 6.71 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 15 N 6.88 3.56 0.00 2.90 3.25 0.00 0.00 7.25 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 16 R 9.15 4.15 0.00 1.74 1.91 0.00 3.36 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 17 Y 7.96 3.94 0.00 2.83 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 18 Y 8.05 4.70 0.00 2.98 2.76 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 19 R 8.40 4.85 0.00 1.78 1.70 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 20 H 8.18 4.82 0.00 3.11 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 7.23 3.93 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 0.75 0.00 0.00 0.84 0.00 0.00 28 S 7.53 4.68 0.00 3.85 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.88 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 30 E 8.15 4.12 0.00 1.98 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 2.39 2.36 0.00 31 G 7.58 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 0.00 0.00 0.00 32 Q 8.22 3.66 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 33 A 8.70 4.00 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 34 Y 8.04 4.24 0.00 3.08 3.23 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 35 R 8.21 3.71 0.00 2.02 1.90 0.00 3.20 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 36 D 8.13 4.34 0.00 2.81 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 37 N 8.09 4.22 0.00 2.83 2.77 0.00 0.00 7.12 6.95 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 38 V 8.07 3.61 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 0.74 0.00 0.00 -0.16 0.00 0.00 39 A 9.42 3.96 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 40 R 8.08 4.37 0.00 2.01 2.12 0.00 2.74 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 41 I 7.99 3.62 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 1.52 0.71 0.91 0.00 0.00 42 I 7.34 4.16 1.91 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.59 0.75 0.00 0.00 43 K 8.20 4.19 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 44 N 7.68 4.67 0.00 2.86 2.85 0.00 0.00 6.71 7.98 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 45 A 7.43 4.12 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 46 M 7.68 3.15 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 47 L 8.52 4.99 0.00 1.50 1.54 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.27 4.67 0.00 2.77 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 49 I 8.07 4.22 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.94 0.00 0.00 50 G 8.13 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 51 L 8.27 3.83 0.00 1.31 1.26 0.47 1.04 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 52 A 7.92 4.28 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 53 M 7.54 4.22 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 54 P 0.00 4.69 0.00 2.02 1.93 0.00 3.56 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 2.07 2.06 0.00 55 V 8.86 4.89 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 0.61 0.00 0.00 0.68 0.00 0.00 56 K 9.03 5.09 0.00 1.96 1.71 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.26 7.81 57 I 9.49 5.30 2.13 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 1.36 0.00 0.00 58 R 8.90 5.18 0.00 1.95 1.82 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 59 I 9.42 4.59 1.95 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 1.46 0.87 0.96 0.00 0.00 60 E 9.44 4.63 0.00 2.12 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 0.00 2.38 2.48 0.00 61 C 9.74 4.90 0.00 3.02 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 62 H 9.73 4.74 0.00 3.40 3.33 0.00 5.82 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 63 M 8.58 4.08 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 64 P 0.00 4.59 0.00 1.71 1.41 0.00 2.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 65 D 7.13 4.43 0.00 2.68 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 66 R 8.49 4.43 0.00 1.78 1.95 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 67 R 7.75 4.18 0.00 1.83 1.71 0.00 3.29 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 68 R 8.68 4.01 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 69 R 8.25 4.79 0.00 1.76 1.66 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 70 N 8.74 4.68 0.00 2.80 3.06 0.00 0.00 7.16 6.74 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 71 L 8.72 4.15 0.00 1.70 1.73 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.23 4.38 0.00 2.90 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 73 N 7.95 4.31 0.00 2.78 2.84 0.00 0.00 7.07 7.70 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 74 L 7.27 3.58 0.00 1.58 1.34 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.72 3.52 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 1.16 2.25 0.00 76 K 8.93 3.69 0.00 1.85 1.74 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.34 7.81 77 A 8.39 3.66 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.86 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 79 F 8.71 4.53 0.00 3.37 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 80 D 8.49 4.53 0.00 3.03 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 81 A 9.37 3.95 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 82 L 7.88 3.35 0.00 1.72 0.68 0.31 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.24 3.81 4.57 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 1.47 0.00 0.00 84 K 8.16 4.14 0.00 1.99 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.32 7.81 85 A 8.33 4.26 1.19 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 0.00 0.00 86 G 7.81 3.96 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 0.00 0.00 0.00 87 F 7.46 4.65 0.00 2.73 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 88 W 6.18 4.62 0.00 3.01 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 89 L 8.16 4.16 0.00 1.90 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.23 4.95 0.00 2.53 2.34 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 91 D 8.58 3.37 0.00 2.48 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 92 A 8.06 3.50 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 93 Q 7.82 3.74 0.00 1.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 94 V 7.66 4.36 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 0.89 0.00 0.00 -0.25 0.00 0.00 95 V 8.01 3.90 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 0.71 0.00 0.00 0.98 0.00 0.00 96 D 7.59 4.56 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 5.53 0.00 3.25 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 98 R 9.42 4.54 0.00 1.90 1.98 0.00 3.08 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 99 V 8.51 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 0.87 0.00 0.00 1.14 0.00 0.00 100 V 8.87 4.41 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 0.91 0.00 0.00 0.97 0.00 0.00 101 K 9.00 4.46 0.00 2.11 1.77 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.05 7.81 102 M 9.41 4.72 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 103 P 0.00 4.58 0.00 2.03 2.02 0.00 3.42 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 104 V 8.32 3.95 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 0.73 0.00 0.00 0.88 0.00 0.00 105 T 9.19 4.74 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 1.22 0.00 0.00 106 K 8.67 3.85 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.47 7.81 107 G 8.86 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 0.00 108 G 8.06 3.70 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 0.00 0.00 0.00 109 R 9.20 4.79 0.00 1.59 1.64 0.00 2.99 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 110 L 8.87 5.24 0.00 1.82 1.56 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.38 5.02 0.00 2.02 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 2.11 2.39 0.00 112 L 9.49 5.28 0.00 1.61 1.60 1.06 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.55 5.22 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 1.26 0.00 0.00 114 I 8.94 5.73 2.20 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.59 1.23 0.00 0.00 115 T 8.53 4.82 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 1.30 0.00 0.00 116 E 8.51 4.74 0.00 1.80 1.82 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 2.21 2.15 0.00 117 M 8.10 4.43 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 118 G 7.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.