NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0775 8.3149 121.7707 55.4942 34.3458 175.3090 3 Y 4.8244 7.6422 117.0206 55.2679 39.9871 173.8212 4 Q 4.7923 10.0078 126.7095 55.3786 31.3552 176.2782 5 V 3.7433 8.0850 122.7602 66.5382 30.9084 178.4807 6 K 3.9521 8.1089 118.3171 59.4356 31.9226 178.6006 7 Q 4.0371 8.2129 118.4291 59.1000 28.6498 179.1222 8 V 3.4617 7.7716 112.6222 64.3556 31.7894 178.2284 9 A 4.3155 7.9338 121.7048 54.4671 17.7797 179.2671 10 E 3.8577 7.4474 116.2350 59.3139 29.9464 178.3023 11 I 3.8135 7.8344 119.4816 64.4947 37.3494 177.7751 12 S 4.1086 8.5279 113.4841 59.5832 63.1980 175.4625 13 G 3.8804 8.0990 106.9459 44.7621 0.0000 173.0251 14 V 3.9823 7.8369 120.4068 61.4132 32.6513 175.6766 15 S 4.4440 8.2501 120.1614 58.0710 64.3496 175.3489 16 I 3.6175 8.0950 127.3050 64.4347 37.0595 178.3163 17 R 3.8419 8.0151 119.0970 59.9913 29.7119 178.2016 18 T 3.6360 7.5375 114.4090 66.7334 68.5302 176.4310 19 L 3.6269 7.9086 121.0542 58.0254 41.4976 179.3112 20 H 4.1815 8.7506 118.2657 59.6499 29.6740 176.5277 21 H 4.1384 7.9531 118.5645 59.7178 29.9280 176.3108 22 Y 4.4827 7.8422 118.1970 61.3087 37.8458 177.8869 23 D 5.2192 8.0907 120.0731 57.1766 41.0526 178.2810 24 N 4.4653 8.4160 116.1780 55.1949 38.4038 176.3840 25 I 4.3386 7.4514 112.9719 59.8846 37.9604 175.8026 26 E 4.2411 7.7842 116.9732 56.4875 28.8327 175.0567 27 L 3.9533 7.6341 120.0539 57.4222 42.3941 177.1584 28 L 4.5393 7.7526 121.1385 53.8127 44.2199 173.8027 29 N 5.3841 8.5954 123.4989 50.3984 41.2028 172.6582 30 P 3.6785 0.0000 0.0000 62.8216 31.9294 176.7621 31 S 4.1327 8.4609 119.1833 61.1487 63.5993 174.4283 32 A 4.8780 7.3226 123.3610 51.0338 21.3321 174.5525 33 L 4.7665 7.9000 114.9422 54.2135 45.0495 176.2552 34 T 4.1917 9.0453 121.2093 61.6951 68.1451 174.3598 35 D 4.3142 8.4682 121.3114 56.1225 40.9167 177.2943 36 A 4.0942 7.5687 119.9598 51.8378 19.3815 177.5523 37 G 3.9282 7.4586 104.5131 44.9601 0.0000 173.3271 38 Y 4.7457 7.2969 117.2439 57.2374 38.6109 175.1931 39 R 4.3661 8.7441 122.1747 56.2501 31.8543 175.4568 40 L 5.2244 8.4292 122.0922 53.1505 45.7836 174.9997 41 Y 5.2891 8.8921 119.7061 56.3374 41.0908 176.5437 42 S 5.0484 9.2126 118.7252 58.2133 66.7393 174.0798 43 D 4.6761 8.6890 118.8853 56.5372 41.0343 178.5788 44 A 4.2298 7.9810 120.9845 54.8421 18.3379 179.2852 45 D 4.4005 8.7633 118.2617 57.6399 40.8813 178.9103 46 L 3.9495 7.6642 119.0242 57.7126 41.7466 179.2649 47 E 3.9126 8.6952 118.9350 59.0828 29.2007 179.3990 48 R 4.0489 7.7000 118.4141 59.0515 30.3123 177.8601 49 L 3.9005 8.0755 120.3113 58.3788 41.8811 178.9162 50 Q 3.9262 8.3631 119.4763 59.2110 29.0104 178.0104 51 Q 3.7928 7.4912 117.8781 59.0996 28.7958 178.7654 52 I 3.8127 7.9617 120.7741 64.9012 37.2402 178.4270 53 L 4.2372 8.3054 119.5111 57.5844 41.3776 179.6319 54 F 4.0044 8.1101 120.6408 61.2602 39.4523 177.4254 55 F 4.6690 8.6084 117.9033 60.5988 38.5765 177.5317 56 K 4.2095 8.8182 119.7581 59.6396 31.7869 178.4641 57 E 3.8896 7.8807 118.5132 59.3324 29.5952 178.6485 58 I 3.7330 7.3498 119.0089 62.8747 37.2042 175.9823 59 G 3.4861 7.1323 106.4072 44.9348 0.0000 174.1498 60 F 4.4806 7.8229 119.8728 57.1088 39.7576 176.1822 61 R 4.3981 8.6546 122.7643 55.3561 32.4987 177.6507 62 L 3.9492 8.6772 121.8813 58.3116 41.4914 179.8879 63 D 4.2952 8.0267 118.4119 56.5134 39.3815 178.3034 64 E 3.9620 8.1194 118.5754 58.1805 29.6672 178.8646 65 I 3.2750 7.3638 121.7753 63.8292 36.9921 177.7040 66 K 3.7910 7.5344 121.5563 60.8937 32.3668 178.3488 67 E 3.8366 8.3973 118.7050 59.2640 29.0202 181.6369 68 M 2.9361 6.8118 120.5601 57.5793 32.4759 178.5166 69 L 3.9952 6.9265 117.9909 57.8317 41.9357 178.4865 70 D 4.4167 7.8050 118.3409 56.3127 40.1306 177.4321 *71 H 3.9755 7.6260 114.7340 53.5771 29.8957 173.0839 72 P 4.3690 0.0000 0.0000 64.6510 30.5099 180.1572 73 N 4.7839 9.1425 119.7847 52.5498 35.7063 175.8875 74 F 4.4985 7.9142 124.0738 58.0544 40.8179 175.3112 75 D 4.3662 7.6439 126.7171 52.2664 40.5739 177.0108 76 R 3.5660 7.5877 124.4435 58.7851 30.3773 177.9033 77 K 3.7567 8.0345 118.3158 59.7359 32.0306 178.1978 78 A 3.9340 8.0055 119.7607 55.1047 18.4248 179.0630 79 A 4.0826 7.9656 119.1220 55.5917 18.4582 179.7509 80 L 4.2091 8.3307 117.5225 58.2552 41.2837 179.6612 81 Q 4.0099 8.3603 118.9935 58.5324 28.9290 178.0896 82 S 4.0241 8.1307 114.6183 61.3178 62.5050 175.9737 83 Q 3.9236 8.7549 121.0883 58.9535 28.5297 178.6522 84 K 3.9622 8.4091 120.7947 59.5367 32.0288 178.5894 85 E 4.0416 7.6917 118.6025 59.0350 29.4901 178.9235 86 I 3.6791 7.6547 119.8890 64.4487 37.2063 178.4330 87 L 3.9381 8.2322 119.9645 58.1846 41.4721 179.4897 88 M 4.1137 8.0763 118.5380 58.2311 31.8230 178.8301 89 K 4.0190 8.3309 122.3494 59.9185 32.2982 179.6508 90 K 3.9652 8.4808 124.4814 59.5319 31.5210 180.9379 91 K 4.0834 8.6417 120.5888 59.7028 32.2707 178.7204 92 Q 3.9731 8.0167 119.8250 59.2461 28.8280 178.4355 93 R 3.9017 8.1579 119.7677 59.4835 30.1087 178.4189 94 M 3.9973 7.7242 118.5177 58.4894 31.9482 177.9458 95 D 4.3681 8.1190 118.1130 57.4569 41.2666 178.1777 96 E 3.8787 8.1305 119.4250 59.6496 29.8571 178.4559 97 M 4.0473 7.9570 118.7094 58.6431 31.9599 178.9375 98 I 3.7060 8.2492 119.9872 64.3943 37.2102 178.2784 99 Q 3.9691 8.2171 118.9215 59.6021 28.6525 179.0005 100 T 3.8513 8.3478 116.7791 67.1618 68.4764 176.5732 101 I 4.0503 7.5438 122.3578 63.8368 36.9228 178.1710 102 D 4.3501 8.0977 119.0063 57.3180 40.7142 178.4474 103 R 4.0434 8.0487 118.7172 59.6411 30.3118 178.3955 104 T 4.0861 7.7944 109.1879 64.4398 68.6748 175.7047 105 L 4.7501 7.9242 120.8671 54.8199 42.6097 176.9206 106 L 4.8309 7.3685 116.0961 54.3120 42.9480 177.0843 107 S 4.3639 8.0045 119.8885 59.5579 63.7788 176.8147 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 K 8.31 4.08 0.00 1.46 1.02 0.00 1.05 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.27 7.81 3 Y 7.64 4.82 0.00 3.14 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 4 Q 10.01 4.79 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 5 V 8.08 3.74 2.14 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 0.99 0.00 0.00 1.15 0.00 0.00 6 K 8.11 3.95 0.00 1.83 1.78 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 7 Q 8.21 4.04 0.00 2.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 8 V 7.77 3.46 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 0.88 0.00 0.00 0.67 0.00 0.00 9 A 7.93 4.32 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 10 E 7.45 3.86 0.00 2.11 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 0.00 2.32 2.37 0.00 11 I 7.83 3.81 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.79 0.00 0.00 12 S 8.53 4.11 0.00 3.90 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 13 G 8.10 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 14 V 7.84 3.98 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 0.80 0.00 0.00 0.95 0.00 0.00 15 S 8.25 4.44 0.00 3.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.62 1.84 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 0.40 0.89 0.00 0.00 17 R 8.02 3.84 0.00 1.83 1.90 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 18 T 7.54 3.64 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 0.96 0.00 0.00 19 L 7.91 3.63 0.00 1.75 1.67 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.75 4.18 0.00 3.29 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.95 4.14 0.00 3.13 3.54 0.00 6.01 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.84 4.48 0.00 3.30 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 23 D 8.09 5.22 0.00 2.92 2.90 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 24 N 8.42 4.47 0.00 2.83 2.88 0.00 0.00 6.96 7.09 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 25 I 7.45 4.34 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.95 0.89 0.00 0.00 26 E 7.78 4.24 0.00 2.11 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 2.22 2.38 0.00 27 L 7.63 3.95 0.00 1.50 1.70 0.75 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.75 4.54 0.00 1.71 1.65 1.06 0.71 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 29 N 8.60 5.38 0.00 2.81 2.67 0.00 0.00 7.08 8.03 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 30 P 0.00 3.68 0.00 1.77 1.34 0.00 3.61 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 1.98 1.69 0.00 31 S 8.46 4.13 0.00 3.90 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 32 A 7.32 4.88 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 33 L 7.90 4.77 0.00 1.52 1.46 0.93 0.84 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 34 T 9.05 4.19 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 1.13 0.00 0.00 35 D 8.47 4.31 0.00 2.63 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 36 A 7.57 4.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 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 0.00 0.00 0.00 38 Y 7.30 4.75 0.00 2.97 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 39 R 8.74 4.37 0.00 1.81 1.64 0.00 3.20 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 40 L 8.43 5.22 0.00 1.45 1.52 0.92 0.70 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 41 Y 8.89 5.29 0.00 3.19 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 42 S 9.21 5.05 0.00 4.14 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 43 D 8.69 4.68 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.98 4.23 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 45 D 8.76 4.40 0.00 3.06 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 46 L 7.66 3.95 0.00 1.81 1.60 0.38 0.67 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 47 E 8.70 3.91 0.00 2.09 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 2.33 2.48 0.00 48 R 7.70 4.05 0.00 2.02 2.10 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 49 L 8.08 3.90 0.00 1.77 1.83 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.36 3.93 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 51 Q 7.49 3.79 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 52 I 7.96 3.81 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.71 0.00 0.00 53 L 8.31 4.24 0.00 2.03 1.78 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.11 4.00 0.00 3.05 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 55 F 8.61 4.67 0.00 3.39 3.17 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 0.00 56 K 8.82 4.21 0.00 2.08 2.05 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.56 7.81 57 E 7.88 3.89 0.00 2.04 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 2.15 2.24 0.00 58 I 7.35 3.73 2.21 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 0.52 0.61 0.89 0.00 0.00 59 G 7.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.48 0.00 3.30 2.94 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 61 R 8.65 4.40 0.00 2.02 1.88 0.00 3.19 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 62 L 8.68 3.95 0.00 1.70 1.77 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.03 4.30 0.00 2.93 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 64 E 8.12 3.96 0.00 2.16 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 0.00 2.54 2.55 0.00 65 I 7.36 3.27 1.97 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 1.24 1.28 0.85 0.00 0.00 66 K 7.53 3.79 0.00 1.81 1.90 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 67 E 8.40 3.84 0.00 1.97 1.77 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 2.24 2.23 0.00 68 M 6.81 2.94 0.00 0.51 1.10 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 69 L 6.93 4.00 0.00 1.66 1.68 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.81 4.42 0.00 2.76 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 *71 H 7.63 3.98 0.00 2.97 2.94 0.00 7.23 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 72 P 0.00 4.37 0.00 2.05 1.55 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 73 N 9.14 4.78 0.00 2.74 2.65 0.00 0.00 6.51 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 74 F 7.91 4.50 0.00 3.00 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 75 D 7.64 4.37 0.00 2.58 2.31 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 0.00 76 R 7.59 3.57 0.00 1.74 1.94 0.00 3.58 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 77 K 8.03 3.76 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.54 7.81 78 A 8.01 3.93 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 79 A 7.97 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.21 0.00 1.94 1.89 1.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.36 4.01 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 82 S 8.13 4.02 0.00 4.15 4.15 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 0.00 0.00 0.00 83 Q 8.75 3.92 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 84 K 8.41 3.96 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 85 E 7.69 4.04 0.00 2.14 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 2.33 2.35 0.00 86 I 7.65 3.68 2.10 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 1.72 0.93 0.86 0.00 0.00 87 L 8.23 3.94 0.00 1.92 1.68 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.08 4.11 0.00 2.07 2.33 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 2.55 0.00 89 K 8.33 4.02 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 90 K 8.48 3.97 0.00 1.76 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 K 8.64 4.08 0.00 1.85 1.97 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 92 Q 8.02 3.97 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 93 R 8.16 3.90 0.00 2.02 2.10 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 94 M 7.72 4.00 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 3.00 0.00 95 D 8.12 4.37 0.00 2.88 2.80 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 96 E 8.13 3.88 0.00 2.34 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 2.39 0.00 97 M 7.96 4.05 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 98 I 8.25 3.71 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 99 Q 8.22 3.97 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 100 T 8.35 3.85 4.42 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 1.21 0.00 0.00 101 I 7.54 4.05 2.04 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 1.53 1.89 0.91 0.00 0.00 102 D 8.10 4.35 0.00 2.80 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 0.00 103 R 8.05 4.04 0.00 1.79 2.10 0.00 3.26 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 104 T 7.79 4.09 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 1.30 0.00 0.00 105 L 7.92 4.75 0.00 1.94 1.72 0.96 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 0.00 106 L 7.37 4.83 0.00 1.70 1.62 0.92 0.90 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 0.00 107 S 8.00 4.36 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.