NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0109 8.0393 120.2920 60.8648 33.7640 176.4082 4 P 4.1067 0.0000 0.0000 62.0459 32.9105 175.5244 5 L 3.9344 8.2243 119.3339 58.0847 41.9564 180.6310 6 Y 4.2987 7.7622 117.2974 60.1265 37.8853 178.2771 7 K 4.0385 6.9021 121.0180 59.0475 32.3256 178.6472 8 Q 3.9534 7.9775 118.8406 58.8335 28.5900 178.8470 9 I 3.7352 7.8931 113.9897 63.6668 37.7906 178.0694 10 A 3.9739 7.8680 122.1394 55.1052 18.2688 179.5149 11 S 4.1028 8.3858 111.8927 61.5046 62.5436 176.3645 12 L 4.0274 7.8395 121.6949 57.8101 41.3444 179.6341 13 I 3.6960 7.7880 119.7640 64.2105 37.0871 177.9335 14 E 3.9264 8.6642 120.5041 59.6775 29.3884 178.7754 15 D 4.4217 8.6598 119.3190 57.2033 40.7510 178.9041 16 S 3.8514 8.0207 114.4940 61.1278 63.0030 176.8287 17 I 3.9894 7.4453 124.5641 63.7411 36.7371 178.3325 18 V 3.6008 7.5820 117.6574 66.1714 31.4621 177.3454 19 D 4.5838 8.6905 117.1326 54.9778 40.7734 177.3509 20 G 3.8845 7.7834 107.5865 46.0886 0.0000 174.2540 21 T 4.2601 7.9353 108.2170 61.2127 69.3886 174.5188 22 L 4.7146 7.5669 124.8443 53.7683 44.5976 174.0969 23 S 5.2301 8.7855 124.4047 56.7370 65.1876 173.7740 24 I 4.0802 8.2948 113.0562 61.9005 38.1758 174.3375 25 D 4.5834 8.9245 117.4893 55.3602 38.1582 174.3234 26 Q 4.2577 8.1888 118.9427 53.9054 30.9703 174.1270 27 R 2.5317 8.2001 126.0771 56.2513 30.4781 176.2429 28 V 3.9649 7.4270 118.1309 59.1659 32.9535 174.1420 29 P 4.3016 0.0000 0.0000 63.2430 31.7132 176.7383 30 S 4.4457 8.8945 117.6999 57.5754 63.9150 175.0716 31 T 3.9273 8.4605 116.4546 66.2211 67.8629 175.5390 32 N 4.7346 7.9069 117.1464 54.7409 40.0983 176.6931 33 E 4.1695 7.8277 118.6624 59.1157 29.3624 179.4870 34 L 4.0375 8.1376 118.9496 57.7147 41.7493 179.0511 35 A 4.0811 7.5179 120.3423 55.3391 18.1067 179.2231 36 A 3.9169 8.2144 117.8537 55.5113 18.5709 179.2851 37 F 4.0402 8.2213 117.5908 61.5638 39.6747 176.5304 38 H 4.4571 8.5495 113.1841 55.2784 29.5843 175.0481 39 R 3.8285 8.4347 119.3697 57.4861 27.4133 174.8046 40 I 4.6560 7.3208 108.7608 58.3640 41.3959 174.5874 41 N 4.5535 8.3607 118.4503 52.7192 39.6492 173.8313 42 P 4.2930 0.0000 0.0000 65.7222 31.4331 178.9413 43 A 4.1807 8.7453 119.8694 55.2835 18.3269 179.8597 44 T 3.9639 7.7932 114.0189 66.5276 68.5302 177.0009 45 A 4.0281 7.8482 122.3649 55.1339 18.4570 179.4646 46 R 3.8500 8.4583 117.6989 59.6492 30.1513 178.4695 47 N 4.3643 8.3203 116.4712 56.1163 38.5921 177.5546 48 G 3.7109 8.0514 106.7097 48.0350 0.0000 175.7788 49 L 4.1613 7.9772 121.9382 57.6665 41.4959 179.7895 50 T 3.9291 8.1737 116.0258 66.4122 68.2969 176.6123 51 L 3.9985 7.9177 121.0130 57.9701 41.6067 179.6543 52 L 4.0741 7.6366 117.4707 57.4664 41.4162 179.7599 53 V 3.8865 7.7419 119.6478 65.7330 31.3686 178.1077 54 E 3.9948 8.3577 116.6032 58.8146 29.3419 178.4513 55 A 4.3059 7.7976 119.2491 52.4135 18.8314 178.3221 56 G 3.9532 8.1831 105.6669 45.4375 0.0000 174.6720 57 I 4.1085 8.1584 122.3352 63.0746 37.8782 175.9221 58 L 5.5564 7.9945 120.1900 53.1074 45.6848 175.2023 59 Y 4.9407 8.5919 118.0785 55.6232 41.4504 174.0088 60 K 4.6800 8.8153 121.3569 54.8350 34.2816 175.5754 61 K 4.4473 9.2739 128.6214 54.7272 32.9621 175.2405 62 R 3.8213 8.5965 124.4395 57.3558 30.2894 176.4629 63 G 4.0180 8.8985 108.7780 46.4262 0.0000 172.8379 64 I 4.4570 9.3023 117.4309 61.4251 41.0318 177.4410 65 G 4.3035 8.5592 110.6266 46.2748 0.0000 173.9608 *67 F 4.3062 8.4686 120.3413 57.0568 41.4850 174.2849 68 V 4.6452 8.1307 119.8585 61.6940 32.7401 175.6320 69 S 4.5899 9.2216 122.7577 58.2810 62.9194 175.1230 70 A 4.0811 8.8386 128.7305 54.9035 18.5676 178.0391 71 Q 4.3510 7.8998 115.7038 56.1617 29.4518 176.9657 72 A 4.0259 8.1184 120.6944 55.2595 18.3206 178.2477 73 P 4.1815 0.0000 0.0000 65.8178 31.4337 178.6579 74 A 4.0101 7.9468 118.8366 55.1351 18.3806 179.4646 75 L 3.9813 8.1367 117.5990 57.9506 41.6537 179.8950 76 I 3.6909 8.1655 120.0875 64.2873 37.0139 178.2400 77 R 3.8796 8.0326 119.4798 59.7054 29.8776 178.2303 78 E 3.9812 8.5981 118.5427 59.4225 29.4041 179.4748 79 R 3.9053 8.0523 118.5814 59.6491 30.2533 178.8536 80 R 3.9958 8.2197 117.9118 59.3279 29.9094 178.8612 81 D 4.4872 8.6335 119.0806 57.2717 40.7228 178.6360 82 A 4.0263 8.2828 121.2654 55.0937 18.2947 179.5956 83 A 3.9855 8.3996 119.5471 55.0268 18.3403 179.6875 84 F 4.3783 8.5532 119.1229 61.4389 39.5457 177.1990 85 A 3.7295 8.3997 120.3414 55.0425 16.7907 179.4636 86 A 3.8956 8.2084 119.4096 55.6748 18.2859 180.0780 87 T 3.7859 7.9374 112.9936 66.6514 68.6314 175.9379 88 Y 4.2240 7.8946 116.3889 58.5465 38.8556 177.3923 89 V 3.9972 7.5126 118.2712 64.6501 32.4274 177.4426 90 A 3.9513 7.2275 120.2398 55.0054 18.1841 177.9587 91 P 4.2056 0.0000 0.0000 65.1710 31.4168 178.7175 92 L 3.9625 7.6811 119.0900 58.2021 42.1452 178.9097 93 I 3.7506 7.9710 119.9472 64.3995 37.0381 178.0418 94 D 4.3437 8.4072 120.1659 57.5794 40.6153 178.6714 95 E 4.0209 8.3983 119.8558 58.9948 29.5996 178.9010 96 S 4.1485 8.1777 114.6149 61.2134 63.1225 176.7107 97 I 3.6890 7.8025 123.5479 64.3808 36.6824 177.6237 98 H 4.0843 7.8276 117.7233 59.3994 29.8167 176.8287 99 L 3.9330 7.8341 118.2421 54.8124 41.5402 177.3205 100 G 3.7784 7.5467 106.7551 46.3549 0.0000 173.9700 101 F 4.8353 8.1774 118.2843 56.9909 39.9090 176.5676 102 T 4.3948 8.2841 114.4108 61.0007 71.3345 175.9115 103 R 3.9212 8.4765 120.8192 59.5241 30.1102 178.3971 104 A 4.0388 7.9651 120.2314 55.0873 18.4435 179.4412 105 R 3.7426 8.0973 117.2999 59.4816 30.1540 178.6302 106 I 3.6354 7.5789 118.0353 64.3765 38.0872 177.6522 107 H 4.1907 8.2233 116.8099 58.4929 28.4313 177.7468 108 A 3.9623 7.9540 122.7940 55.1743 18.2661 179.5561 109 L 3.9958 8.2344 117.9634 57.7528 41.6197 179.4363 110 L 3.9312 7.9086 120.1191 58.3833 41.4022 178.7178 111 D 4.3664 7.9422 118.2978 57.6248 40.5801 178.9024 112 Q 4.3209 7.9365 117.1026 59.1033 28.4830 178.9316 113 V 3.7382 8.0351 118.9912 65.7161 31.2806 178.0324 114 A 4.0376 8.4463 121.2436 54.9729 18.0415 179.0449 115 E 3.6355 9.3904 117.5747 58.8482 29.6315 178.2338 116 S 4.4997 7.3960 110.6238 57.2288 63.5584 174.3279 117 R 4.1943 8.8433 128.2277 57.1430 30.5987 175.8343 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 3 V 8.04 4.01 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 0.88 0.00 0.00 0.89 0.00 0.00 4 P 0.00 4.11 0.00 1.77 2.05 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.72 0.00 5 L 8.22 3.93 0.00 1.72 1.77 0.93 0.71 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 6 Y 7.76 4.30 0.00 3.18 3.22 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 7 K 6.90 4.04 0.00 1.48 1.60 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.51 7.81 8 Q 7.98 3.95 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 9 I 7.89 3.74 1.85 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 1.53 0.81 0.94 0.00 0.00 10 A 7.87 3.97 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 11 S 8.39 4.10 0.00 3.95 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 12 L 7.84 4.03 0.00 1.90 1.70 0.89 0.78 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 13 I 7.79 3.70 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 1.38 1.22 0.89 0.00 0.00 14 E 8.66 3.93 0.00 2.17 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 2.32 2.38 0.00 15 D 8.66 4.42 0.00 2.67 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 16 S 8.02 3.85 0.00 4.05 4.20 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 17 I 7.45 3.99 2.06 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 1.39 1.92 0.93 0.00 0.00 18 V 7.58 3.60 2.22 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 0.82 0.00 0.00 0.95 0.00 0.00 19 D 8.69 4.58 0.00 2.68 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 20 G 7.78 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 21 T 7.94 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 22 L 7.57 4.71 0.00 1.63 1.48 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.79 5.23 0.00 3.99 3.85 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 24 I 8.29 4.08 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 1.03 0.00 0.00 25 D 8.92 4.58 0.00 2.92 2.87 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 0.00 0.00 0.00 0.00 26 Q 8.19 4.26 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 27 R 8.20 2.53 0.00 1.34 1.54 0.00 3.32 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.09 0.00 28 V 7.43 3.96 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 0.65 0.00 0.00 0.80 0.00 0.00 29 P 0.00 4.30 0.00 1.97 1.95 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 30 S 8.89 4.45 0.00 3.99 3.98 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 31 T 8.46 3.93 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 1.27 0.00 0.00 32 N 7.91 4.73 0.00 2.71 2.84 0.00 0.00 7.17 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 33 E 7.83 4.17 0.00 2.03 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 2.32 2.34 0.00 34 L 8.14 4.04 0.00 1.80 1.79 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.52 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.92 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 37 F 8.22 4.04 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 38 H 8.55 4.46 0.00 3.39 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.43 3.83 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 40 I 7.32 4.66 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.97 0.00 0.00 41 N 8.36 4.55 0.00 2.76 2.74 0.00 0.00 6.88 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 42 P 0.00 4.29 0.00 2.21 2.10 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 43 A 8.75 4.18 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 44 T 7.79 3.96 4.43 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 0.00 0.00 0.00 1.30 0.00 0.00 45 A 7.85 4.03 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 46 R 8.46 3.85 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 47 N 8.32 4.36 0.00 2.93 2.64 0.00 0.00 6.92 7.63 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 48 G 8.05 3.71 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 0.00 0.00 0.00 49 L 7.98 4.16 0.00 1.87 1.73 0.92 0.83 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 50 T 8.17 3.93 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 1.25 0.00 0.00 51 L 7.92 4.00 0.00 1.98 1.77 1.14 0.66 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 52 L 7.64 4.07 0.00 1.91 1.74 0.97 0.82 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 53 V 7.74 3.89 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 1.35 0.00 0.00 1.04 0.00 0.00 54 E 8.36 3.99 0.00 2.10 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 2.35 2.55 0.00 55 A 7.80 4.31 1.42 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 56 G 8.18 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 57 I 8.16 4.11 2.06 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 1.26 0.70 0.95 0.00 0.00 58 L 7.99 5.56 0.00 1.59 1.52 0.91 0.78 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 59 Y 8.59 4.94 0.00 2.94 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 60 K 8.82 4.68 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 61 K 9.27 4.45 0.00 1.51 1.67 0.00 1.27 0.00 0.00 1.40 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.24 7.81 62 R 8.60 3.82 0.00 1.86 1.89 0.00 3.42 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 63 G 8.90 4.02 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 64 I 9.30 4.46 2.10 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 1.28 0.95 1.13 0.00 0.00 65 G 8.56 4.30 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 0.00 0.00 0.00 *67 F 8.47 4.31 0.00 1.94 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 68 V 8.13 4.65 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 0.81 0.00 0.00 0.95 0.00 0.00 69 S 9.22 4.59 0.00 4.13 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 70 A 8.84 4.08 1.31 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 0.00 0.00 71 Q 7.90 4.35 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 72 A 8.12 4.03 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 73 P 0.00 4.18 0.00 2.18 2.13 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 74 A 7.95 4.01 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 75 L 8.14 3.98 0.00 1.88 1.75 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.17 3.69 2.03 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 1.43 0.78 0.92 0.00 0.00 77 R 8.03 3.88 0.00 2.06 2.15 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 78 E 8.60 3.98 0.00 2.25 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 2.35 2.34 0.00 79 R 8.05 3.91 0.00 2.02 2.07 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 80 R 8.22 4.00 0.00 2.03 1.99 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 81 D 8.63 4.49 0.00 2.91 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 82 A 8.28 4.03 1.44 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 0.00 0.00 0.00 83 A 8.40 3.99 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 84 F 8.55 4.38 0.00 3.21 3.39 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 85 A 8.40 3.73 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 86 A 8.21 3.90 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 87 T 7.94 3.79 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 0.64 0.00 0.00 88 Y 7.89 4.22 0.00 2.46 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 89 V 7.51 4.00 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 1.07 0.00 0.00 0.69 0.00 0.00 90 A 7.23 3.95 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 91 P 0.00 4.21 0.00 2.11 2.05 0.00 3.48 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 92 L 7.68 3.96 0.00 1.83 1.89 0.94 1.14 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 93 I 7.97 3.75 1.98 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 1.74 0.67 0.92 0.00 0.00 94 D 8.41 4.34 0.00 2.94 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 95 E 8.40 4.02 0.00 2.13 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 2.32 2.32 0.00 96 S 8.18 4.15 0.00 4.36 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 0.00 97 I 7.80 3.69 2.03 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 1.42 1.02 0.91 0.00 0.00 98 H 7.83 4.08 0.00 3.15 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.83 3.93 0.00 0.65 0.87 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.55 3.78 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 0.00 0.00 0.00 101 F 8.18 4.84 0.00 3.13 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 0.00 102 T 8.28 4.39 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 1.26 0.00 0.00 103 R 8.48 3.92 0.00 1.94 2.01 0.00 3.23 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 104 A 7.97 4.04 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 0.00 105 R 8.10 3.74 0.00 1.86 1.92 0.00 3.01 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.17 0.00 106 I 7.58 3.64 1.89 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 1.51 0.99 0.92 0.00 0.00 107 H 8.22 4.19 0.00 3.38 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.95 3.96 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 0.00 109 L 8.23 4.00 0.00 1.72 1.68 0.62 0.41 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 0.00 110 L 7.91 3.93 0.00 1.76 1.88 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.94 4.37 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 0.00 112 Q 7.94 4.32 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 113 V 8.04 3.74 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 1.02 0.00 0.00 0.97 0.00 0.00 114 A 8.45 4.04 1.38 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 0.00 0.00 0.00 115 E 9.39 3.64 0.00 2.22 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 0.00 2.32 2.37 0.00 116 S 7.40 4.50 0.00 4.10 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 0.00 117 R 8.84 4.19 0.00 1.81 1.93 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.