NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0556 8.0393 120.3117 61.4495 32.5847 174.9592 3 K 4.2864 8.3428 123.7758 52.7408 34.4865 171.0859 4 V 3.6222 8.3795 119.0166 62.5020 32.3347 176.8155 5 T 4.1770 8.3284 116.4583 61.5102 68.0708 173.0867 6 Y 4.7301 8.4124 129.3842 56.0350 39.9096 174.9585 7 D 4.2691 8.5260 127.8298 55.5122 42.0835 177.0239 8 G 3.0167 5.4554 106.2303 44.3642 0.0000 171.9075 9 V 4.4369 7.9220 122.1128 60.0659 34.2939 174.8661 10 Y 4.8322 8.4948 121.7714 56.7584 39.7646 175.7793 11 V 4.0698 8.7443 124.9499 62.4740 33.6749 174.3681 *13 S 4.5389 8.3413 116.1800 58.0928 63.7777 172.2665 14 V 4.8336 8.1127 123.9949 60.6464 34.0142 175.2022 15 K 4.2086 9.0772 128.2901 56.7858 32.6371 177.5371 16 D 4.4838 8.9592 123.4401 54.3869 39.8885 176.2106 17 D 4.9634 7.5354 119.2912 53.1415 39.9245 175.8692 18 V 4.5547 7.4322 111.3860 58.9840 35.4740 174.6843 19 P 4.1928 0.0000 0.0000 66.0806 30.9575 178.6765 20 A 3.9181 8.1109 118.5997 55.1413 17.9936 179.1574 21 A 3.9396 8.0177 118.0468 54.2729 18.4559 178.1215 22 D 4.6512 7.7889 115.0379 54.2041 41.4343 175.8284 23 V 4.1831 7.1428 115.1361 64.8151 33.3839 175.5575 24 L 4.3076 7.6054 118.1721 54.1108 42.9249 175.7819 25 H 4.8645 8.9966 116.1755 53.5994 32.8831 173.2389 26 A 4.2413 8.5056 124.7071 53.8502 18.5838 177.8379 27 G 4.1893 9.0516 111.7440 45.3884 0.0000 174.1033 28 D 4.8079 8.1371 119.6859 54.4209 42.4209 175.1215 29 L 4.3102 8.3267 123.9474 53.3760 44.4352 175.0437 30 I 4.8140 8.6639 128.4817 60.7134 37.9467 176.4104 31 T 4.1140 8.8714 117.8079 62.6087 70.5370 174.8470 32 E 5.1395 8.0207 119.6336 54.9534 34.5189 174.2616 33 I 5.0323 8.5772 122.0352 60.4447 40.7459 175.1933 34 D 4.4775 10.0483 128.5573 55.6931 38.6165 174.8683 35 G 3.9860 8.6027 104.0574 45.7593 0.0000 173.6143 36 N 4.9848 7.8328 116.1382 50.9978 42.2550 173.5136 37 A 4.7029 8.4506 124.4474 51.1644 19.9929 176.8607 38 F 5.0361 7.3254 116.0145 55.3728 40.3424 175.6620 39 K 4.4476 8.7476 120.3593 55.7364 32.4242 176.8326 40 S 4.0363 7.4603 113.0356 56.4937 66.0132 177.2158 41 S 4.2783 8.2964 118.1413 61.7225 62.7563 176.6049 42 Q 3.9791 8.0495 121.1983 58.8165 28.5223 178.2147 43 E 4.0300 8.3601 120.3249 59.0714 29.8046 178.5416 44 F 3.8809 8.2749 120.7492 61.3167 39.3414 177.2516 45 I 3.4985 8.1949 119.7256 64.3859 36.6785 177.9750 46 D 4.2732 8.2223 118.8762 57.5783 40.9593 178.0961 47 Y 4.0457 8.0786 119.7492 60.7268 38.7386 178.1574 48 I 3.5159 7.3750 120.1645 64.7814 37.0262 178.1463 49 H 4.2270 8.1004 115.4204 57.9656 28.5583 177.0309 50 S 4.3230 7.5454 114.4238 59.4406 63.5653 173.8774 51 K 4.4058 7.6661 122.6390 54.8849 34.4261 175.3228 52 K 4.6206 8.5300 117.6558 54.4028 35.1906 176.2693 53 V 3.7039 8.1448 121.2413 64.7738 31.7915 176.2274 54 G 3.9990 8.7003 115.4964 45.2982 0.0000 173.4818 55 D 4.6699 8.0740 119.4354 54.5994 42.3785 175.2582 56 T 5.0786 8.3424 116.2477 61.9790 71.0104 174.2439 57 V 4.7143 8.7108 119.1606 59.3815 35.3663 174.5491 58 K 4.8137 9.2900 126.2585 54.8797 33.7738 175.1904 59 I 5.0972 9.1074 128.7435 59.7014 40.0868 174.1015 60 N 5.5886 9.1096 125.0722 51.8137 40.5564 173.7457 61 Y 5.4002 8.5792 121.0271 55.5582 42.3749 173.5330 62 K 4.8182 8.9600 119.7534 55.4102 35.0265 174.4860 63 H 4.7687 8.6055 124.9391 55.7381 31.5846 174.1945 64 G 3.9588 9.6617 118.8036 45.9741 0.0000 172.4889 65 D 4.8914 8.4632 117.6876 51.8115 40.8713 176.3642 66 K 4.4563 7.8863 117.8076 56.0932 36.3674 175.3594 67 N 4.8918 8.6459 121.1152 52.8021 39.1223 174.4900 68 E 4.4631 8.8665 124.4875 54.8213 32.8580 174.8356 69 Q 5.1878 8.0128 120.0612 55.3061 32.1746 173.1327 70 A 4.6427 9.0587 125.5009 51.4837 23.5010 174.6680 71 D 5.3163 8.5476 118.9102 53.3285 43.3467 175.8860 72 I 4.6540 8.5768 122.1752 59.3896 41.2481 174.4774 73 K 4.6208 8.6892 128.1399 55.8848 33.1620 176.2590 74 L 4.4446 9.0333 127.6567 55.0002 43.3066 175.8364 75 T 5.0998 8.7184 116.2938 59.9455 71.5660 171.8544 76 A 4.8646 8.4887 124.7569 51.3298 19.1228 177.4971 77 I 4.4182 8.8027 116.0756 60.7565 38.7247 174.9738 78 D 4.6965 7.6388 121.6915 51.9146 41.9024 176.1361 79 K 4.0143 8.5412 118.7444 59.0704 32.4972 177.7461 80 K 4.1266 8.1090 117.6146 56.6071 32.4311 177.3496 81 G 3.8799 8.2439 107.5596 45.4286 0.0000 173.7235 82 T 3.9169 8.4768 117.7675 62.8247 69.2017 172.3770 83 P 4.7940 0.0000 0.0000 62.9061 32.3274 175.7104 84 G 4.0974 8.6652 108.2336 45.8527 0.0000 174.4748 85 I 3.8457 8.4049 121.4952 62.3164 37.8136 177.0812 86 G 4.1033 9.4643 109.6088 45.4251 0.0000 172.4560 87 I 5.3374 7.6644 110.4660 59.2058 41.7734 174.1979 88 T 4.9317 8.6483 113.0254 60.0533 71.1599 173.5093 89 L 5.0365 9.3824 122.6421 52.8020 44.9176 178.0337 90 V 3.5897 8.5241 121.2231 65.9946 31.6797 178.0204 91 D 4.5014 8.1220 118.0464 56.8034 41.2872 176.8039 92 D 4.5253 8.0500 118.5133 57.1370 41.3920 177.5198 93 L 4.2424 7.4635 120.0991 54.6135 39.2785 176.3234 *98 H 4.6162 7.6812 114.4904 55.9945 30.3047 173.1415 99 H 4.9095 8.6673 119.9660 54.2365 32.5949 173.3988 100 H 4.6037 9.2610 117.2818 56.1621 28.9581 174.3974 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 V 8.04 4.06 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 3 K 8.34 4.29 0.00 1.97 1.85 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 4 V 8.38 3.62 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 0.73 0.00 0.00 0.97 0.00 0.00 5 T 8.33 4.18 4.25 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 1.22 0.00 0.00 6 Y 8.41 4.73 0.00 2.85 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 7 D 8.53 4.27 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 5.46 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.92 4.44 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.81 0.00 0.00 10 Y 8.49 4.83 0.00 2.99 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 11 V 8.74 4.07 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 1.00 0.00 0.00 0.91 0.00 0.00 *13 S 8.34 4.54 0.00 3.99 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 14 V 8.11 4.83 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 0.84 0.00 0.00 0.91 0.00 0.00 15 K 9.08 4.21 0.00 1.71 1.88 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.49 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.28 7.81 16 D 8.96 4.48 0.00 2.76 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 17 D 7.54 4.96 0.00 2.61 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 18 V 7.43 4.55 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 0.75 0.00 0.00 0.96 0.00 0.00 19 P 0.00 4.19 0.00 2.14 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 20 A 8.11 3.92 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 21 A 8.02 3.94 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 22 D 7.79 4.65 0.00 2.73 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 23 V 7.14 4.18 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 0.79 0.00 0.00 0.94 0.00 0.00 24 L 7.61 4.31 0.00 1.51 1.39 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 H 9.00 4.86 0.00 3.34 3.18 0.00 5.82 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 26 A 8.51 4.24 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 27 G 9.05 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 0.00 0.00 0.00 0.00 28 D 8.14 4.81 0.00 2.73 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 29 L 8.33 4.31 0.00 1.21 1.33 -0.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.66 4.81 1.73 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 1.33 0.77 1.12 0.00 0.00 31 T 8.87 4.11 4.08 0.00 0.00 0.00 0.00 0.00 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 32 E 8.02 5.14 0.00 1.94 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 2.30 2.25 0.00 33 I 8.58 5.03 2.10 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.55 0.79 0.00 0.00 34 D 10.05 4.48 0.00 2.70 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 35 G 8.60 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 36 N 7.83 4.98 0.00 2.57 2.64 0.00 0.00 6.86 7.76 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 37 A 8.45 4.70 1.11 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 38 F 7.33 5.04 0.00 3.32 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 39 K 8.75 4.45 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.37 7.81 40 S 7.46 4.04 0.00 3.86 3.69 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 41 S 8.30 4.28 0.00 4.12 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 0.00 42 Q 8.05 3.98 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 43 E 8.36 4.03 0.00 2.12 2.23 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 2.43 2.40 0.00 44 F 8.27 3.88 0.00 2.12 2.95 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 45 I 8.19 3.50 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.67 0.00 0.00 46 D 8.22 4.27 0.00 2.76 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 47 Y 8.08 4.05 0.00 3.06 2.99 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 48 I 7.38 3.52 1.82 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.12 0.88 0.00 0.00 49 H 8.10 4.23 0.00 3.18 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.55 4.32 0.00 3.89 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 51 K 7.67 4.41 0.00 1.74 1.87 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.13 1.30 7.81 52 K 8.53 4.62 0.00 1.87 1.61 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.27 7.81 53 V 8.14 3.70 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 0.71 0.00 0.00 0.89 0.00 0.00 54 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.67 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 5.08 4.25 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 1.23 0.00 0.00 57 V 8.71 4.71 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 0.73 0.00 0.00 1.01 0.00 0.00 58 K 9.29 4.81 0.00 1.86 1.72 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.30 7.81 59 I 9.11 5.10 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 1.06 0.00 0.00 60 N 9.11 5.59 0.00 2.77 2.72 0.00 0.00 6.09 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.58 5.40 0.00 3.11 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 62 K 8.96 4.82 0.00 1.82 1.90 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.37 7.81 63 H 8.61 4.77 0.00 3.50 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.66 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 65 D 8.46 4.89 0.00 2.69 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 66 K 7.89 4.46 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.38 7.81 67 N 8.65 4.89 0.00 2.53 2.68 0.00 0.00 6.93 7.66 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 68 E 8.87 4.46 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 69 Q 8.01 5.19 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 70 A 9.06 4.64 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 71 D 8.55 5.32 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 72 I 8.58 4.65 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.90 0.00 0.00 73 K 8.69 4.62 0.00 1.77 1.69 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.73 7.81 74 L 9.03 4.44 0.00 1.57 1.53 0.86 0.39 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 75 T 8.72 5.10 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 76 A 8.49 4.86 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.80 4.42 1.87 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 1.29 0.81 0.91 0.00 0.00 78 D 7.64 4.70 0.00 2.81 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 79 K 8.54 4.01 0.00 1.88 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 80 K 8.11 4.13 0.00 1.86 1.86 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.35 7.81 81 G 8.24 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 82 T 8.48 3.92 4.27 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 0.93 0.00 0.00 83 P 0.00 4.79 0.00 1.87 1.92 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 84 G 8.67 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.40 3.85 1.93 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 1.34 0.55 0.93 0.00 0.00 86 G 9.46 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.66 5.34 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.93 0.00 0.00 88 T 8.65 4.93 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 1.03 0.00 0.00 89 L 9.38 5.04 0.00 1.61 1.61 0.94 0.94 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 90 V 8.52 3.59 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 0.91 0.00 0.00 0.98 0.00 0.00 91 D 8.12 4.50 0.00 2.74 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 92 D 8.05 4.53 0.00 2.88 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 93 L 7.46 4.24 0.00 1.77 1.66 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *98 H 7.68 4.62 0.00 3.12 3.23 0.00 5.66 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 99 H 8.67 4.91 0.00 3.03 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 9.26 4.60 0.00 3.21 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.77 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.