NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2631 0.0000 0.0000 62.6864 31.6728 175.4401 3 R 4.1773 8.3962 124.7778 54.0132 30.7851 174.9337 4 A 4.3623 8.1282 131.3753 49.8998 18.1319 176.0323 5 K 4.0917 7.8729 120.7797 56.4797 33.7689 178.3629 6 T 3.9807 8.7337 116.2855 66.4548 69.5790 176.2144 7 G 3.9301 7.6172 107.7656 46.9223 0.0000 176.6775 8 V 4.1360 8.2980 125.9408 61.9440 33.1008 178.0065 9 V 3.5104 7.3927 120.6098 66.0592 31.4073 177.8429 10 R 3.9022 7.8611 117.6321 59.4780 30.0669 178.0438 11 R 3.9978 8.0952 117.7256 59.6530 29.7281 177.5711 12 R 4.1690 8.0176 118.5155 58.2230 29.9569 178.7975 13 K 4.0697 7.6899 118.3334 60.0909 32.5053 178.4941 14 H 4.4974 8.1913 116.3278 58.6544 28.8439 177.8748 15 K 4.0744 7.8782 119.8266 59.1425 32.2791 179.1096 16 K 4.0949 8.1167 119.4897 58.6033 32.2505 178.8139 17 I 3.9940 7.7961 120.6875 63.9996 37.4053 177.9377 18 L 4.0044 8.0172 119.1287 57.9203 41.3139 178.9882 19 K 3.8979 7.9146 119.4146 59.3643 31.9718 178.2666 20 L 4.0172 7.8204 118.5477 56.5494 41.8970 178.6204 21 A 3.9879 7.7912 121.4167 52.9651 18.9477 177.4339 22 K 3.9936 7.1643 115.3145 57.4283 32.3200 176.3818 23 G 3.9908 8.8338 112.1902 45.6486 0.0000 173.4547 24 Y 4.7314 7.4155 116.6175 57.4630 38.6183 175.2710 25 W 4.3069 8.9258 131.4168 57.7368 32.1790 177.7947 26 G 4.1099 8.0996 111.3423 46.2234 0.0000 173.7152 27 L 4.1190 8.6153 117.6778 56.9021 41.8186 179.0372 28 R 4.2625 7.8415 117.8935 57.8413 30.1547 177.3289 29 S 4.7534 8.7722 111.7901 58.2233 64.9473 174.8103 30 K 4.5673 7.3909 119.7102 55.3340 32.6031 176.5702 31 S 4.3484 7.9755 116.1251 57.3209 64.3392 174.6858 *32 F 4.0961 8.8299 127.3327 58.5191 38.1347 172.2570 33 R 4.5410 7.8083 113.4316 58.2235 31.1609 177.8634 34 K 3.9723 8.0881 117.1689 58.0422 31.8612 178.7583 35 A 4.1296 8.4384 122.2973 54.9649 18.6678 179.2370 36 R 3.6022 8.0038 116.4660 60.0069 29.8295 177.9805 37 E 4.2990 8.6091 118.3860 59.6708 29.4923 179.0104 38 T 3.7600 7.6956 115.6232 67.0234 68.5916 176.3020 39 L 3.9666 8.1028 120.3514 58.3507 41.5182 179.5820 40 F 4.1659 7.6112 116.8259 60.7684 39.0060 177.9438 41 A 3.8481 8.1438 119.8056 55.1214 18.0712 179.4784 42 A 3.6624 7.9838 119.4017 55.3270 18.3486 180.0844 43 G 3.7610 8.3539 102.8945 47.9111 0.0000 175.0743 44 N 4.7037 7.8171 118.5998 56.2630 38.5008 176.8547 45 Y 4.2324 7.9528 117.5701 61.8837 37.9180 177.7875 46 A 4.0602 8.1577 119.5296 55.6755 18.2384 178.7296 47 Y 4.4918 8.1393 114.6150 60.7912 39.1314 179.2141 48 A 3.8276 8.0773 120.9368 55.3942 18.4922 179.3543 49 H 4.2763 9.4087 115.6849 59.4002 28.1735 177.1421 50 R 4.1257 8.7500 121.5054 58.2316 29.5728 178.5061 51 K 3.9709 7.9496 122.3949 60.2162 32.6773 178.7449 52 R 3.9012 7.9718 118.9508 58.4399 29.6065 178.7987 53 R 4.5354 8.4269 119.0864 59.9799 30.2868 178.6483 54 K 3.9662 7.7127 117.4091 59.2840 32.0072 178.2428 55 R 4.3762 8.1490 112.7668 56.4947 30.1681 177.6827 56 D 4.3301 9.9205 120.6733 57.6317 41.1323 178.6101 57 F 3.5019 7.9149 117.6683 60.0623 38.5989 177.5545 58 R 3.7274 6.9547 116.8909 59.5630 30.0169 178.8299 59 R 4.0292 7.7525 117.5607 58.8927 30.1297 178.4609 60 L 3.9249 7.6765 118.0460 58.1728 41.5605 179.4806 61 W 4.6610 8.1336 118.3118 60.1667 28.8775 178.7305 62 I 4.1655 8.2898 119.7867 64.3865 36.8679 178.3588 63 V 3.6542 7.8921 118.5353 66.6236 31.1966 177.5158 64 R 4.0204 8.2530 118.1953 58.5084 29.7974 179.1155 65 I 3.9651 7.9561 119.3683 65.0702 37.3595 176.9531 66 N 4.7463 9.5690 118.6082 54.9167 38.2654 176.5602 67 A 3.9288 7.9474 127.0329 54.8416 19.4896 179.3491 68 A 4.1265 8.8457 120.3609 55.1462 18.9476 179.5169 69 C 4.1307 8.7359 112.7070 60.9959 29.3382 175.5897 70 R 5.0465 8.1695 122.0191 58.0794 29.8022 177.4928 71 Q 4.1785 8.1755 118.7456 58.2289 29.0646 175.6797 72 H 4.8988 7.8063 116.1769 55.6810 29.0899 175.9353 73 G 4.3262 8.4193 116.1534 45.4663 0.0000 175.4894 74 L 4.3652 7.4473 119.2038 54.1274 42.3211 174.9625 75 N 5.2756 8.1978 116.1824 50.8945 41.0146 174.4831 76 Y 4.2439 8.7752 120.7222 61.2542 38.4141 178.2107 77 S 4.4018 8.4033 113.2474 62.1324 63.3339 175.9500 78 T 4.0451 8.3409 119.3151 66.7246 68.1293 176.3912 79 F 4.0739 8.3326 121.9551 61.5584 39.7609 177.8963 80 I 3.5525 7.9420 119.5809 64.2718 36.7960 177.9721 81 H 4.4261 8.6339 119.5583 59.7322 29.6370 176.4034 82 G 3.7560 8.1567 108.7424 46.0654 0.0000 175.0261 83 L 3.9720 8.0008 121.9498 56.6094 42.1403 179.4883 84 K 3.9033 7.6863 119.3389 58.8063 32.1195 178.4069 85 K 4.2086 8.3247 116.4016 56.8750 31.6146 177.0723 86 A 4.3189 8.0540 122.1672 51.5214 19.9671 179.2830 87 G 3.9079 8.1539 102.4215 45.4763 0.0000 174.2223 88 I 4.1577 6.6478 114.7343 59.6733 36.7467 177.5805 89 E 4.3002 7.5672 124.9020 55.7854 29.9609 175.1146 90 V 3.4729 7.7330 123.6622 63.3876 30.0022 180.7331 91 D 3.4355 9.0670 115.3374 51.1293 45.2104 169.8172 92 R 3.5867 6.8213 135.0000 56.7016 29.3133 179.1475 93 K 4.6602 7.6209 123.2861 58.9598 32.9147 176.9079 94 N 2.0000 7.1893 115.3821 56.3744 38.5774 175.7099 95 L 4.2001 7.8741 115.1536 55.2148 41.5865 177.5292 96 A 4.5684 7.8143 120.8942 51.6976 18.8114 179.2716 97 D 4.4630 7.7299 115.2498 54.8993 39.0597 177.5798 98 L 5.1023 8.2822 117.5368 55.1469 41.2125 177.2590 99 A 3.5038 7.6842 123.6696 52.6277 20.2012 179.1944 100 V 3.8328 7.6254 114.2319 64.2543 32.4487 176.2626 101 R 4.5552 7.4715 117.9866 55.3188 32.8472 175.2868 102 E 3.9677 8.6566 120.8985 56.7436 26.6395 174.6266 103 P 4.3665 0.0000 0.0000 66.7192 31.2587 176.8143 104 Q 4.0279 8.2812 117.3890 58.8550 28.3527 179.4320 105 V 3.6688 7.9062 118.1346 65.8399 31.7434 177.4360 106 F 4.0931 8.3025 119.8627 61.4605 39.1837 176.7870 107 A 3.6155 8.8373 120.6474 54.9228 17.9386 178.9734 108 E 3.8520 7.7263 116.9827 59.6709 29.8496 178.9527 109 L 4.0648 8.6684 119.7331 58.3017 41.7419 178.7810 110 V 2.9499 7.6238 115.8996 66.9212 31.0105 177.3210 111 E 4.1176 8.1034 120.3682 59.6610 29.6235 179.6873 112 R 4.0208 8.0952 118.1007 58.7133 30.0668 178.7748 113 A 4.1422 8.3373 121.2371 54.6256 18.7124 179.5886 114 K 3.9241 7.8276 112.3832 58.2297 32.3557 177.6485 115 A 4.2507 8.5735 123.1616 54.3324 19.9754 179.4277 116 A 4.2536 7.3897 114.5201 54.2140 18.3556 177.7809 117 Q 4.5979 7.6369 114.0477 55.3439 30.4512 175.4547 118 G 3.8380 8.1481 112.4110 45.8754 0.0000 174.4870 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 P 0.00 4.26 0.00 2.19 2.17 0.00 3.70 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 1.88 1.96 0.00 3 R 8.40 4.18 0.00 1.85 1.87 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 A 8.13 4.36 1.25 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 0.00 0.00 0.00 5 K 7.87 4.09 0.00 1.87 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.59 7.81 6 T 8.73 3.98 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 7 G 7.62 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 8 V 8.30 4.14 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 0.89 0.00 0.00 0.93 0.00 0.00 9 V 7.39 3.51 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 0.97 0.00 0.00 0.97 0.00 0.00 10 R 7.86 3.90 0.00 1.90 1.88 0.00 3.26 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 11 R 8.10 4.00 0.00 1.92 1.94 0.00 3.23 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 12 R 8.02 4.17 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.16 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 13 K 7.69 4.07 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.67 7.81 14 H 8.19 4.50 0.00 3.21 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.88 4.07 0.00 1.96 2.07 0.00 1.30 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.51 7.81 16 K 8.12 4.09 0.00 1.90 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.59 7.81 17 I 7.80 3.99 1.97 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 1.48 1.40 0.86 0.00 0.00 18 L 8.02 4.00 0.00 1.67 1.73 0.93 0.57 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 19 K 7.91 3.90 0.00 2.02 1.72 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 20 L 7.82 4.02 0.00 1.75 1.68 0.88 nan 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 21 A 7.79 3.99 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 22 K 7.16 3.99 0.00 1.69 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.55 7.81 23 G 8.83 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 24 Y 7.42 4.73 0.00 3.02 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 25 W 8.93 4.31 0.00 3.54 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 26 G 8.10 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 0.00 0.00 0.00 27 L 8.62 4.12 0.00 1.78 1.78 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.84 4.26 0.00 2.20 2.02 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 29 S 8.77 4.75 0.00 3.91 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.57 0.00 1.86 1.82 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 31 S 7.98 4.35 0.00 3.86 3.79 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 *32 F 8.83 4.10 0.00 2.34 2.21 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 0.00 33 R 7.81 4.54 0.00 1.97 2.18 0.00 2.97 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 34 K 8.09 3.97 0.00 1.88 2.00 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.48 7.81 35 A 8.44 4.13 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 36 R 8.00 3.60 0.00 1.84 2.12 0.00 3.29 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 37 E 8.61 4.30 0.00 2.24 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 2.47 2.60 0.00 38 T 7.70 3.76 4.18 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 0.00 0.00 0.64 0.00 0.00 39 L 8.10 3.97 0.00 1.64 1.61 0.85 1.28 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 40 F 7.61 4.17 0.00 3.26 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 41 A 8.14 3.85 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 42 A 7.98 3.66 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 43 G 8.35 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 0.00 0.00 0.00 44 N 7.82 4.70 0.00 2.96 3.01 0.00 0.00 6.83 7.34 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 45 Y 7.95 4.23 0.00 3.17 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 46 A 8.16 4.06 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 47 Y 8.14 4.49 0.00 2.94 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 48 A 8.08 3.83 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 49 H 9.41 4.28 0.00 3.38 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.75 4.13 0.00 2.08 1.95 0.00 3.29 0.00 0.00 3.25 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 51 K 7.95 3.97 0.00 1.81 1.90 0.00 1.84 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.44 7.81 52 R 7.97 3.90 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.02 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 53 R 8.43 4.54 0.00 2.11 2.11 0.00 3.27 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 54 K 7.71 3.97 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 55 R 8.15 4.38 0.00 1.85 1.99 0.00 3.02 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 56 D 9.92 4.33 0.00 2.63 2.44 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 57 F 7.91 3.50 0.00 2.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 6.95 3.73 0.00 1.76 2.01 0.00 3.12 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 59 R 7.75 4.03 0.00 2.07 1.86 0.00 3.05 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 60 L 7.68 3.92 0.00 1.46 1.79 0.70 0.89 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 61 W 8.13 4.66 0.00 3.49 3.30 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 62 I 8.29 4.17 2.06 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.03 0.74 0.00 0.00 63 V 7.89 3.65 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 1.04 0.00 0.00 1.00 0.00 0.00 64 R 8.25 4.02 0.00 1.95 1.91 0.00 3.31 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 65 I 7.96 3.97 2.29 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 1.61 1.17 0.90 0.00 0.00 66 N 9.57 4.75 0.00 3.24 3.01 0.00 0.00 7.17 8.29 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 67 A 7.95 3.93 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 68 A 8.85 4.13 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 69 C 8.74 4.13 0.00 2.74 3.51 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 70 R 8.17 5.05 0.00 2.00 2.14 0.00 3.16 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 71 Q 8.18 4.18 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.21 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 72 H 7.81 4.90 0.00 3.25 3.22 0.00 5.69 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 73 G 8.42 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 0.00 0.00 0.00 0.00 74 L 7.45 4.37 0.00 1.89 1.82 0.81 0.15 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 75 N 8.20 5.28 0.00 3.03 3.04 0.00 0.00 5.53 7.57 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 76 Y 8.78 4.24 0.00 3.27 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 77 S 8.40 4.40 0.00 4.18 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.05 4.31 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 1.26 0.00 0.00 79 F 8.33 4.07 0.00 3.10 2.98 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 80 I 7.94 3.55 1.91 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.74 0.85 0.00 0.00 81 H 8.63 4.43 0.00 3.25 3.49 0.00 5.78 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 82 G 8.16 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 0.00 0.00 0.00 83 L 8.00 3.97 0.00 1.64 1.70 1.25 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.69 3.90 0.00 2.12 1.87 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 85 K 8.32 4.21 0.00 1.57 1.64 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.34 7.81 86 A 8.05 4.32 1.27 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 0.00 0.00 0.00 87 G 8.15 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 0.00 0.00 0.00 88 I 6.65 4.16 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.89 0.00 0.00 89 E 7.57 4.30 0.00 1.93 1.91 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 2.27 2.27 0.00 90 V 7.73 3.47 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 0.89 0.00 0.00 0.90 0.00 0.00 91 D 9.07 3.44 0.00 2.69 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 92 R 6.82 3.59 0.00 2.05 1.84 0.00 3.18 0.00 0.00 2.94 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 93 K 7.62 4.66 0.00 2.41 2.51 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.78 1.71 7.81 94 N 7.19 2.00 0.00 1.44 2.21 0.00 0.00 7.17 6.66 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 95 L 7.87 4.20 0.00 1.83 1.59 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.81 4.57 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.46 0.00 2.77 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 98 L 8.28 5.10 0.00 2.12 1.93 0.98 0.69 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 99 A 7.68 3.50 0.27 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 0.00 0.00 0.00 100 V 7.63 3.83 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 0.82 0.00 0.00 0.89 0.00 0.00 101 R 7.47 4.56 0.00 1.86 1.77 0.00 3.29 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 102 E 8.66 3.97 0.00 2.22 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 2.30 2.24 0.00 103 P 0.00 4.37 0.00 2.28 2.33 0.00 3.73 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 2.10 0.00 104 Q 8.28 4.03 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 105 V 7.91 3.67 2.33 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 0.83 0.00 0.00 0.99 0.00 0.00 106 F 8.30 4.09 0.00 3.46 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 0.00 107 A 8.84 3.62 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 3.85 0.00 2.19 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 0.00 2.33 2.52 0.00 109 L 8.67 4.06 0.00 1.65 1.63 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.62 2.95 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 0.84 0.00 0.00 0.82 0.00 0.00 111 E 8.10 4.12 0.00 1.89 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 2.49 2.47 0.00 112 R 8.10 4.02 0.00 1.96 1.95 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 113 A 8.34 4.14 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 0.00 114 K 7.83 3.92 0.00 1.90 1.99 0.00 1.36 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.39 7.81 115 A 8.57 4.25 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 0.00 116 A 7.39 4.25 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 0.00 117 Q 7.64 4.60 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 118 G 8.15 3.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.