NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.4798 8.4201 119.1771 53.9009 40.1706 176.0692 0 A 4.4635 8.0845 110.2631 50.1419 18.8317 174.0322 2 F 5.3110 9.6278 123.4849 55.2752 43.8845 174.7594 3 T 4.8196 8.6067 118.0464 62.0504 71.2359 173.5193 4 T 4.4432 8.6354 122.9455 61.6633 71.7701 173.0784 5 V 4.1096 8.2897 126.9260 61.7310 32.8352 175.0577 6 I 4.4204 8.4852 128.3148 59.6638 40.9005 174.7430 7 T 4.7792 8.1882 122.8039 60.7377 68.8556 173.2068 8 P 4.9435 0.0000 0.0000 62.9889 32.3642 176.1272 9 R 4.9256 9.0411 119.3287 54.1123 33.3823 177.4795 10 V 2.9274 8.0212 120.0199 65.8681 31.5618 178.3455 11 S 4.2040 7.8201 112.1815 60.3024 63.1991 174.5129 12 E 4.0937 8.1822 120.7139 57.4010 29.6156 176.6050 13 T 4.6496 7.4956 109.9229 60.4331 70.5578 172.4225 14 D 4.9390 8.3939 120.3114 51.1083 42.2967 176.5132 15 G 3.6514 8.6031 106.8992 48.4143 0.0000 175.1112 16 V 3.5270 7.5538 118.8011 64.2949 31.5427 176.7908 17 G 4.0735 8.1768 106.6313 45.2323 0.0000 172.3610 18 H 4.8578 7.4331 114.9471 52.9228 31.2380 173.2159 19 I 4.1475 7.8632 120.4029 61.1366 37.3490 175.9988 20 N 4.5531 8.6690 124.7389 52.9840 39.5237 175.4976 21 N 4.2074 8.5821 122.4941 56.1951 35.5414 176.9835 22 T 4.0707 8.2650 110.9739 63.8085 68.9180 176.6257 23 T 3.9135 7.8149 119.6100 66.0287 68.3271 176.7838 24 V 3.2529 7.2184 120.4357 65.6415 31.5892 176.4147 25 P 4.5357 0.0000 0.0000 65.4756 31.0956 178.8188 26 V 3.7132 7.1669 115.9481 65.8101 31.4638 178.1890 27 W 4.4926 8.3665 118.9948 59.6666 28.6361 178.5584 28 F 4.6151 8.3663 117.4113 60.8083 38.7291 176.8580 29 E 4.3025 8.7088 118.6708 59.4203 29.2666 178.6559 30 A 4.2464 8.4286 120.9568 55.1775 18.3094 179.4594 31 G 3.8145 8.1170 101.8361 46.5880 0.0000 174.8970 32 R 4.0751 7.5971 119.6499 55.9947 30.2930 177.1874 33 H 3.9933 7.5673 120.3326 59.8120 29.5508 176.7868 34 E 3.7559 7.4733 117.7069 58.7775 29.3069 179.1019 35 I 3.8299 6.8976 119.6387 64.4290 37.2426 177.8599 36 F 4.3154 7.6462 118.7617 60.9090 38.6635 177.8153 37 K 4.0380 8.0331 118.8486 59.3465 31.6898 178.7753 38 L 3.8816 7.4548 118.4149 57.8978 41.6150 179.1840 39 F 4.3858 8.0782 115.8635 59.0284 40.4363 175.9089 40 T 4.5367 8.0203 115.2848 60.1040 68.9460 172.0833 41 P 4.5881 0.0000 0.0000 64.3612 31.7324 177.0443 42 D 4.6013 8.0526 113.9922 52.4009 39.8001 175.9587 43 L 3.7210 8.1462 118.5404 55.7279 40.2277 174.3233 44 S 4.2362 8.2433 113.4683 58.0862 62.8427 175.2721 45 F 4.6032 8.6675 125.7698 60.0255 39.0995 177.7487 46 K 4.0951 8.2963 119.2262 58.6377 31.9416 177.5912 47 R 4.7463 7.6562 116.5954 55.3376 30.7466 175.7204 48 W 4.1901 7.9141 128.4069 57.6126 31.6664 176.2874 49 R 5.3176 6.9177 116.9252 53.1076 28.6956 173.1586 *51 V 4.1850 7.5557 122.4509 63.3476 33.4357 174.2811 52 I 3.5332 8.3136 128.7842 60.7378 38.0197 175.1882 53 I 4.4958 8.4695 121.5910 61.0380 39.7027 174.7191 54 R 4.4128 7.4089 118.0710 55.5377 32.5870 173.0432 *56 E 4.4417 8.3932 115.8533 56.4355 31.2551 175.0403 57 V 4.8035 8.1663 120.1597 61.5243 34.8986 173.6905 58 D 4.8600 9.4283 128.0218 53.0256 43.0573 175.2512 59 Y 4.6485 8.6958 121.9044 57.1084 37.4311 175.5074 60 V 3.9961 8.8460 125.3473 65.0234 32.2503 175.9933 61 N 5.1412 7.7958 114.2425 51.3980 42.6789 175.2881 62 Q 4.0648 8.2922 119.0299 55.6749 29.0820 175.1160 *64 Y 4.4559 8.0849 114.4521 58.3352 39.0591 174.1951 65 Y 4.4818 8.6459 124.1248 58.7838 39.4848 175.4503 66 G 3.6703 8.0772 113.3710 45.3815 0.0000 173.6986 67 Q 4.4648 7.3253 120.0414 53.7493 31.7919 174.3414 68 D 4.6955 8.4960 123.5714 54.8750 42.3976 175.4287 69 V 4.6194 8.5521 112.8562 59.8913 36.0828 174.8666 70 T 4.7386 8.6411 118.7509 61.7725 71.6650 173.1768 71 V 4.6701 8.6401 127.0824 61.6819 33.5457 173.8859 72 Y 5.1886 9.4826 126.0475 56.6588 40.6353 174.9064 73 T 5.2003 9.4297 120.6704 61.9857 72.3918 173.3583 74 G 4.8257 9.7542 113.3145 44.4788 0.0000 171.2891 75 I 4.5306 8.7140 122.2808 60.5333 37.6512 176.4662 76 E 4.3264 9.4294 129.8148 58.3454 30.5550 176.7382 77 R 4.6586 7.8203 118.2821 54.9589 33.9865 174.1702 78 I 4.6108 8.5288 127.0557 59.6828 38.3467 175.4276 79 G 4.0346 8.5863 122.8488 45.5381 0.0000 171.9248 80 N 4.4984 8.8426 117.2656 55.9675 39.6731 177.4738 81 T 4.6454 7.7957 105.8399 61.2817 70.1859 173.2344 82 S 5.4476 7.6934 116.5781 56.6624 67.2634 172.4973 83 L 5.2440 8.9494 119.1682 54.6060 44.3884 174.9906 84 T 5.1959 8.9229 117.3049 62.0632 71.2695 173.1901 85 I 4.8615 9.0579 127.7154 59.9438 39.5505 173.9286 86 Y 5.0425 8.7772 128.5385 55.9513 40.8561 174.1131 87 E 5.1837 7.3200 122.7785 55.0862 33.6335 173.8150 88 E 5.4680 9.6897 119.9303 55.0374 34.8311 174.2305 89 I 5.1630 9.0718 123.1115 60.0650 40.0569 174.4129 90 H 5.6108 9.4947 124.1318 54.2312 32.0756 173.1023 91 Q 4.5982 8.6072 121.5529 55.0766 32.9193 174.1194 92 N 4.2520 10.0342 121.4635 54.6015 37.5619 174.5747 93 G 3.9820 8.6068 100.7714 45.1843 0.0000 173.8379 94 V 4.3215 7.8780 119.5165 60.1579 33.8179 175.0231 95 V 3.6939 8.4201 126.8804 63.4907 31.6356 174.8475 96 C 4.8246 9.3726 125.3971 60.5786 30.3542 173.7168 97 A 5.1513 7.8713 118.9589 50.2744 22.6487 175.1599 98 K 4.9907 9.2008 119.8571 54.6543 36.1531 175.8012 99 G 4.1208 9.0548 110.4807 44.5021 0.0000 171.4684 100 R 5.3779 8.5857 119.2520 54.2407 34.1159 175.0368 101 S 4.9172 9.0833 116.3748 56.6857 67.3417 172.7973 102 V 4.9689 8.8778 121.3860 61.5474 34.0657 173.9272 103 Y 5.1329 9.0200 125.0529 56.3782 41.0809 175.0513 104 V 4.8167 8.7721 115.3600 59.6513 34.6607 175.7711 105 N 4.3947 9.2628 123.7983 53.0009 39.3634 173.1762 106 F 4.5112 9.3420 130.3739 56.4207 41.5449 174.4651 107 N 4.8783 8.1779 125.7932 52.4771 38.5362 175.2600 108 F 4.5674 8.7830 126.8034 59.5815 39.2125 176.7136 109 D 4.6210 8.4311 119.0076 57.0245 41.0405 177.9299 110 T 4.3042 8.0716 106.6360 61.4718 69.5912 175.6827 111 G 3.9890 8.4574 110.1343 45.5191 0.0000 172.7373 112 R 4.2245 6.7876 117.0032 52.9879 35.1403 172.5373 113 P 4.4769 0.0000 0.0000 62.9475 31.9781 175.7252 114 E 4.5971 8.9765 124.7761 53.4691 31.3683 173.9401 115 P 4.5828 0.0000 0.0000 62.8722 32.2456 176.2037 116 I 3.9574 8.6066 125.3266 60.9190 37.5505 174.7254 117 P 4.4124 0.0000 0.0000 62.4664 32.1670 177.0710 118 D 4.4166 8.7692 121.0831 57.5988 40.5508 179.0685 119 D 4.3220 7.9439 119.2462 56.4748 39.5015 178.6072 120 I 3.5072 7.5121 120.8380 63.7599 37.2158 177.9474 121 R 3.8771 7.8556 119.6499 59.5996 29.6479 178.6258 122 V 3.5869 7.4452 116.2953 66.0298 31.8102 177.8595 123 K 4.4106 7.7468 119.2353 58.9658 31.9357 179.3154 124 L 4.1175 8.6956 119.8473 57.8503 41.2992 179.4667 125 R 4.0218 7.7143 116.9645 58.7538 29.8151 177.7530 126 E 4.1641 8.1273 117.6893 58.1127 29.3580 176.9966 127 H 5.2356 8.0565 116.1400 54.2297 30.2058 173.3596 128 V 4.4869 7.8414 111.9737 61.2730 32.6173 176.4448 129 W 5.1361 9.1677 135.0000 56.8902 33.0972 173.5820 130 Q 4.4648 8.7244 126.6137 53.2262 29.9850 173.9462 131 P 4.2286 0.0000 0.0000 62.7166 31.2844 176.0690 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 -1 N 8.42 4.48 0.00 2.49 2.29 0.00 0.00 6.76 7.08 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 A 8.08 4.46 1.17 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 0.00 0.00 2 F 9.63 5.31 0.00 2.95 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 3 T 8.61 4.82 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 0.93 0.00 0.00 4 T 8.64 4.44 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 1.12 0.00 0.00 5 V 8.29 4.11 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 0.67 0.00 0.00 0.82 0.00 0.00 6 I 8.49 4.42 1.17 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.38 0.28 0.00 0.00 7 T 8.19 4.78 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 P 0.00 4.94 0.00 2.33 2.48 0.00 3.61 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 2.27 1.97 0.00 9 R 9.04 4.93 0.00 1.91 1.83 0.00 3.24 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 10 V 8.02 2.93 1.85 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 0.82 0.00 0.00 0.29 0.00 0.00 11 S 7.82 4.20 0.00 3.98 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 12 E 8.18 4.09 0.00 2.36 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 2.23 2.27 0.00 13 T 7.50 4.65 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 1.27 0.00 0.00 14 D 8.39 4.94 0.00 2.84 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 15 G 8.60 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.53 1.75 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 0.69 0.00 0.00 0.87 0.00 0.00 17 G 8.18 4.07 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 0.00 0.00 0.00 18 H 7.43 4.86 0.00 2.93 3.24 0.00 5.48 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.86 4.15 1.76 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.45 0.00 0.00 20 N 8.67 4.55 0.00 2.66 2.55 0.00 0.00 6.54 6.24 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 21 N 8.58 4.21 0.00 2.43 2.52 0.00 0.00 5.95 7.22 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 22 T 8.26 4.07 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 1.17 0.00 0.00 23 T 7.81 3.91 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 -0.23 0.00 0.00 24 V 7.22 3.25 2.30 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 0.74 0.00 0.00 0.89 0.00 0.00 25 P 0.00 4.54 0.00 2.26 2.21 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 26 V 7.17 3.71 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 1.14 0.00 0.00 0.99 0.00 0.00 27 W 8.37 4.49 0.00 3.36 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 28 F 8.37 4.62 0.00 3.11 3.04 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 0.00 0.00 0.00 29 E 8.71 4.30 0.00 2.41 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 2.78 2.84 0.00 30 A 8.43 4.25 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 0.00 0.00 0.00 0.00 0.00 31 G 8.12 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 0.00 0.00 0.00 32 R 7.60 4.08 0.00 1.32 0.91 0.00 3.31 0.00 0.00 3.02 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.00 33 H 7.57 3.99 0.00 3.34 3.22 0.00 5.78 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 34 E 7.47 3.76 0.00 1.16 1.15 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 1.91 1.80 0.00 35 I 6.90 3.83 1.67 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 1.82 1.43 0.98 0.00 0.00 36 F 7.65 4.32 0.00 3.15 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 37 K 8.03 4.04 0.00 1.88 1.86 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 38 L 7.45 3.88 0.00 1.82 1.41 0.91 1.39 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 39 F 8.08 4.39 0.00 2.99 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 40 T 8.02 4.54 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 1.35 0.00 0.00 41 P 0.00 4.59 0.00 2.01 2.11 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 42 D 8.05 4.60 0.00 2.76 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 43 L 8.15 3.72 0.00 1.74 1.79 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.24 4.24 0.00 3.88 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 45 F 8.67 4.60 0.00 3.10 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 46 K 8.30 4.10 0.00 1.80 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 47 R 7.66 4.75 0.00 1.83 1.95 0.00 3.20 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 48 W 7.91 4.19 0.00 3.58 3.08 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 0.00 49 R 6.92 5.32 0.00 2.12 2.13 0.00 3.27 0.00 0.00 3.44 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 *51 V 7.56 4.18 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 0.65 0.00 0.00 0.95 0.00 0.00 52 I 8.31 3.53 1.06 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.35 0.78 0.00 0.00 53 I 8.47 4.50 1.84 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 1.33 0.80 0.88 0.00 0.00 54 R 7.41 4.41 0.00 1.83 2.02 0.00 2.98 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 *56 E 8.39 4.44 0.00 2.09 2.16 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 2.34 2.29 0.00 57 V 8.17 4.80 1.96 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 0.23 0.00 0.00 1.04 0.00 0.00 58 D 9.43 4.86 0.00 2.59 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 59 Y 8.70 4.65 0.00 2.86 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 60 V 8.85 4.00 2.35 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 0.79 0.00 0.00 1.03 0.00 0.00 61 N 7.80 5.14 0.00 2.74 2.72 0.00 0.00 6.92 7.69 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 62 Q 8.29 4.06 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 *64 Y 8.08 4.46 0.00 3.16 3.04 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 0.00 0.00 0.00 65 Y 8.65 4.48 0.00 2.94 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 66 G 8.08 3.67 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 0.00 0.00 0.00 67 Q 7.33 4.46 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 68 D 8.50 4.70 0.00 2.57 2.46 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 69 V 8.55 4.62 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 0.64 0.00 0.00 -0.01 0.00 0.00 70 T 8.64 4.74 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 0.38 0.00 0.00 71 V 8.64 4.67 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 1.36 0.00 0.00 0.89 0.00 0.00 72 Y 9.48 5.19 0.00 3.14 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 73 T 9.43 5.20 4.54 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 1.32 0.00 0.00 74 G 9.75 4.83 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 0.00 0.00 0.00 75 I 8.71 4.53 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 1.01 0.00 0.00 76 E 9.43 4.33 0.00 1.94 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 0.00 2.26 2.16 0.00 77 R 7.82 4.66 0.00 1.89 1.71 0.00 3.20 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 78 I 8.53 4.61 1.91 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 1.42 0.81 0.98 0.00 0.00 79 G 8.59 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.84 4.50 0.00 2.82 2.82 0.00 0.00 6.54 7.22 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 81 T 7.80 4.65 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 1.23 0.00 0.00 82 S 7.69 5.45 0.00 3.99 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 83 L 8.95 5.24 0.00 1.97 1.86 1.02 0.94 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 84 T 8.92 5.20 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 1.28 0.00 0.00 85 I 9.06 4.86 1.93 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 1.17 0.77 0.99 0.00 0.00 86 Y 8.78 5.04 0.00 2.85 2.47 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 87 E 7.32 5.18 0.00 1.95 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 1.56 1.47 0.00 88 E 9.69 5.47 0.00 2.36 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 0.00 2.25 2.12 0.00 89 I 9.07 5.16 1.92 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.40 1.04 0.00 0.00 90 H 9.49 5.61 0.00 3.24 3.31 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.61 4.60 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.19 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 92 N 10.03 4.25 0.00 3.04 2.88 0.00 0.00 7.09 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 93 G 8.61 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 0.00 0.00 0.00 94 V 7.88 4.32 2.24 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 1.00 0.00 0.00 0.98 0.00 0.00 95 V 8.42 3.69 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 0.93 0.00 0.00 0.88 0.00 0.00 96 C 9.37 4.82 0.00 2.96 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 97 A 7.87 5.15 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.20 4.99 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 99 G 9.05 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 0.00 0.00 0.00 100 R 8.59 5.38 0.00 1.74 1.77 0.00 3.25 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 101 S 9.08 4.92 0.00 3.92 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 0.00 102 V 8.88 4.97 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 1.07 0.00 0.00 0.94 0.00 0.00 103 Y 9.02 5.13 0.00 2.97 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 0.00 104 V 8.77 4.82 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 0.68 0.00 0.00 1.04 0.00 0.00 105 N 9.26 4.39 0.00 2.78 3.01 0.00 0.00 6.74 7.69 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 0.00 106 F 9.34 4.51 0.00 2.97 2.42 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 0.00 107 N 8.18 4.88 0.00 2.71 2.64 0.00 0.00 6.77 7.16 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 0.00 108 F 8.78 4.57 0.00 3.21 3.20 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 0.00 109 D 8.43 4.62 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 0.00 110 T 8.07 4.30 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 1.19 0.00 0.00 111 G 8.46 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 0.00 112 R 6.79 4.22 0.00 1.54 1.59 0.00 3.10 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 113 P 0.00 4.48 0.00 1.85 1.95 0.00 3.47 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 114 E 8.98 4.60 0.00 1.82 1.79 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 2.22 2.23 0.00 115 P 0.00 4.58 0.00 1.98 2.18 0.00 3.72 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 2.02 2.13 0.00 116 I 8.61 3.96 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.99 0.00 0.00 117 P 0.00 4.41 0.00 2.29 1.96 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 118 D 8.77 4.42 0.00 2.67 2.71 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 0.00 119 D 7.94 4.32 0.00 2.82 2.89 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 0.00 0.00 0.00 120 I 7.51 3.51 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.01 0.00 0.00 121 R 7.86 3.88 0.00 2.02 2.11 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 122 V 7.45 3.59 2.19 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 0.88 0.00 0.00 1.01 0.00 0.00 123 K 7.75 4.41 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 124 L 8.70 4.12 0.00 1.84 1.80 1.05 1.01 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 0.00 125 R 7.71 4.02 0.00 2.10 1.95 0.00 3.25 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 126 E 8.13 4.16 0.00 1.94 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 127 H 8.06 5.24 0.00 2.99 2.66 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.84 4.49 2.24 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 0.74 0.00 0.00 0.97 0.00 0.00 129 W 9.17 5.14 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 130 Q 8.72 4.46 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 131 P 0.00 4.23 0.00 1.71 1.03 0.00 3.36 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.