NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7811 8.2827 119.1848 52.9922 40.4031 174.8783 2 L 3.9771 8.4187 126.7713 57.6614 41.8933 177.8734 3 Q 3.8732 9.5027 121.1404 58.7958 29.3501 177.5682 4 Q 4.0877 8.1851 119.4086 58.4476 28.8343 178.0318 5 F 4.4194 8.0645 121.4200 61.0614 39.0020 177.1156 6 K 3.6634 8.0405 118.1643 59.6603 31.8671 179.1099 7 N 4.4780 7.8803 116.6590 56.4173 38.3189 177.3816 8 M 4.0838 8.0587 120.2376 58.3699 31.9687 178.5638 9 I 3.6275 7.5587 120.1018 64.5560 37.1848 178.1720 10 Q 4.1901 7.5919 114.4773 58.0520 29.0718 177.1504 11 C 4.4027 8.1834 121.2447 59.8584 43.6360 174.9987 12 A 4.3684 7.7405 122.0823 52.3051 18.7218 176.5638 13 G 4.1433 8.1315 105.8400 44.1042 0.0000 173.6820 *15 T 4.6190 8.1497 112.9842 63.4309 70.2432 174.8583 *17 R 4.0696 7.9028 117.1165 56.1279 31.2615 175.4908 18 T 4.4968 7.8956 111.8295 60.1443 70.7522 175.4666 19 W 4.4877 8.8576 118.4569 59.9071 27.7461 178.2140 20 T 3.0550 6.3350 110.0603 64.1915 67.6408 176.1882 21 A 3.7106 7.3247 122.4754 54.5436 18.6455 178.2334 22 Y 4.4141 7.7763 113.6626 58.6289 38.3266 177.6574 23 I 3.9500 7.3835 120.9297 63.7294 37.6351 176.0634 24 N 5.0532 8.1034 117.3051 52.5125 37.7955 172.6805 25 Y 4.5389 8.1379 119.5850 57.8699 41.1630 175.7523 26 G 3.6799 7.5750 116.2891 47.1594 0.0000 172.8577 27 C 4.4309 9.8748 115.2045 58.2466 40.8836 174.6440 28 Y 4.2964 9.1166 114.8244 57.7263 39.5890 175.2430 29 C 4.5335 8.2150 118.7512 57.8081 40.7391 173.2295 30 G 3.8059 8.9315 110.6025 43.8334 0.0000 172.6358 31 K 3.9878 8.4726 119.1893 57.3261 32.8917 179.1270 32 G 3.9147 8.5529 112.8472 47.1728 0.0000 172.5056 33 G 4.4511 7.5978 114.5789 45.9592 0.0000 172.0521 34 S 4.5498 6.8859 118.3935 57.6549 67.3911 176.0066 35 G 3.9372 8.5344 110.2706 45.6823 0.0000 172.8369 36 T 4.3665 8.3102 115.7793 61.7086 69.7042 173.0559 37 P 4.7207 0.0000 0.0000 62.7556 31.9568 177.3164 38 V 3.8176 8.7075 115.8477 63.8764 32.0682 175.2525 39 D 4.6930 7.6205 117.1363 50.8644 42.3273 175.3310 40 K 3.9050 8.7995 118.5464 59.6817 31.9379 178.4462 41 L 3.9777 7.8787 120.0743 58.3240 42.0833 178.2588 42 D 4.6019 9.0556 118.3765 57.4993 40.9979 178.5002 43 R 3.9134 8.2576 118.8137 59.2253 29.9840 178.0891 44 C 4.3193 8.3752 116.3965 60.6282 38.6513 175.7476 45 C 4.4965 8.6458 117.8186 60.1568 34.8349 175.5881 46 Y 3.9665 8.3772 121.4349 60.9165 38.3690 178.2526 47 T 3.7479 8.3919 116.9002 66.9479 68.6418 175.9205 48 H 3.8365 8.3210 120.1686 59.4570 29.6199 176.5117 49 D 4.1813 8.3918 119.9211 57.8018 41.0367 177.9791 50 H 4.2172 7.8814 115.9297 58.1739 28.6446 177.0499 51 C 4.3424 8.0342 120.9684 59.8255 43.2615 175.0866 52 Y 4.0980 7.7734 117.2274 61.1461 37.5924 177.6631 53 N 4.4661 8.0591 118.0628 56.9918 39.0921 176.9378 54 Q 4.1218 8.2792 118.9952 58.5261 28.7145 178.3763 55 A 3.7049 8.0575 122.2736 55.0899 18.1614 179.2340 56 D 4.5560 7.5132 115.1314 57.4018 40.9047 178.4357 57 S 4.3455 7.5506 112.8924 58.1704 63.0519 173.6372 58 I 4.2883 7.3449 124.7672 58.3502 38.6790 173.4939 59 P 4.1710 0.0000 0.0000 64.1809 31.5933 176.3690 60 G 3.8682 8.7030 111.4755 46.9599 0.0000 174.1427 61 C 4.6932 7.9212 118.7720 54.2823 46.6409 172.4868 62 N 4.8684 8.4262 126.3207 50.7851 40.2023 172.5558 63 P 3.7693 0.0000 0.0000 65.9601 31.3633 177.4136 64 N 4.4976 8.4087 115.9944 55.3729 38.6436 176.7831 65 I 4.0663 7.4156 108.6283 60.9806 38.6890 175.4881 66 K 3.9592 7.9706 123.4508 56.6966 31.9959 175.8708 67 T 4.3520 8.3907 123.9951 62.3552 69.5276 173.7900 68 Y 4.9920 7.6234 125.4328 55.1682 40.9660 174.1240 69 S 5.1139 8.7403 114.9008 57.3249 65.5039 173.2250 70 Y 5.3763 8.3641 121.1917 56.5299 41.0228 173.6352 71 T 4.4332 9.0431 113.7527 60.3530 71.4798 171.5890 72 C 5.3232 8.7838 126.6781 55.2987 44.0805 174.2837 73 T 4.4039 8.7491 125.3995 61.1151 67.5447 172.1486 74 Q 4.0166 7.8304 121.7615 55.6459 29.4891 174.8894 75 P 5.4234 0.0000 0.0000 62.4235 32.0086 174.3113 76 N 5.0104 8.8051 117.5545 52.6411 40.5585 174.0392 77 I 5.0988 8.3563 122.9263 59.8668 40.2757 174.9855 78 T 4.6472 9.0430 123.1138 61.9318 71.8532 172.2882 79 C 5.0104 8.8808 124.2530 56.6440 40.5687 173.8425 80 T 4.0626 8.7235 121.0970 65.1290 69.1891 176.1738 81 R 4.1142 8.0986 120.8054 56.6644 30.7653 175.3529 82 T 4.3925 8.5248 117.0678 65.2763 71.0313 175.3899 83 A 4.0113 8.0778 122.1637 54.9671 18.6885 177.6568 84 D 4.5644 7.9199 116.5545 53.1220 40.6096 176.0483 85 A 4.0167 8.4331 128.9691 55.1278 18.4437 179.5264 86 C 4.1781 8.2133 115.9975 59.7688 44.4458 175.2749 87 A 4.0762 8.8234 122.8143 55.1397 17.9765 179.4743 88 K 3.7900 8.4206 118.3300 59.6425 32.3388 178.7072 89 F 3.9460 8.4250 121.0673 61.1762 39.3033 176.8821 90 L 3.8872 8.2252 120.0043 58.2743 41.8927 177.9444 91 C 2.6861 7.8067 118.5853 59.0964 41.0942 175.0999 92 D 4.0385 7.6577 119.4469 57.3363 40.8140 177.2301 93 C 3.8771 7.6593 116.9763 60.3190 35.4357 176.0368 94 D 3.8136 7.8357 119.9195 57.2180 40.3482 178.8754 95 R 3.7980 8.1019 119.4977 59.6215 29.9659 178.5177 96 T 3.7210 8.1263 115.6586 66.5577 68.4313 176.3384 97 A 3.4501 7.7839 122.0388 54.9474 18.2685 179.2592 98 A 3.6640 8.3636 119.4940 55.5451 18.3937 180.0312 99 I 3.6687 7.8872 118.2353 64.4782 37.2091 177.7458 100 C 4.2459 8.2882 119.6100 59.8794 43.2390 175.6302 101 F 4.3389 8.5140 118.1564 60.5918 38.4720 177.2800 102 A 4.2376 7.6431 119.3584 55.4004 18.3580 179.6141 103 S 4.2578 8.0707 111.6931 59.7411 63.4132 174.8902 104 A 4.3236 7.5650 125.1233 50.6731 18.9633 175.6216 105 P 4.4089 0.0000 0.0000 62.7953 32.1280 175.7904 106 Y 4.1579 8.2989 121.0822 55.9964 38.6489 175.2704 107 N 4.7431 8.6221 126.7360 51.6579 37.8227 176.3753 108 I 3.3524 8.4025 118.3989 63.6089 37.7348 178.3050 109 N 4.4073 8.1567 117.2017 55.4431 38.6400 175.1690 110 N 4.5726 8.6735 116.0960 52.7066 38.7862 174.5065 111 I 4.0118 7.1007 119.1166 61.9615 38.3796 175.8129 112 M 3.1644 8.0861 121.6106 56.5263 29.3407 176.7949 113 I 4.5285 6.9794 108.9471 59.4976 39.9655 178.1738 114 S 3.8500 8.3252 115.8085 61.5698 62.3620 175.1998 115 A 4.3475 7.8106 120.1478 51.6318 18.9357 176.8312 116 S 4.5569 8.4168 113.5917 56.9238 64.4345 174.7643 117 N 4.6472 8.5124 115.8611 54.0428 36.8458 175.9277 118 S 4.3319 7.8135 114.0388 60.4514 63.6519 174.3439 119 C 4.7766 7.6989 117.0320 56.5777 40.2117 173.4608 120 Q 4.1197 7.9543 126.7383 56.4051 28.6806 175.5553 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 8.28 4.78 0.00 2.61 2.77 0.00 0.00 6.70 5.78 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 2 L 8.42 3.98 0.00 1.86 1.66 1.20 0.41 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 3 Q 9.50 3.87 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 4 Q 8.19 4.09 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 5 F 8.06 4.42 0.00 3.38 3.25 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 6 K 8.04 3.66 0.00 1.75 1.46 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.69 1.28 7.81 7 N 7.88 4.48 0.00 2.85 3.01 0.00 0.00 7.10 7.52 0.00 0.00 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 M 8.06 4.08 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 9 I 7.56 3.63 2.04 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.01 1.11 0.00 0.00 10 Q 7.59 4.19 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 11 C 8.18 4.40 0.00 3.21 3.31 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 12 A 7.74 4.37 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 13 G 8.13 4.14 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 0.00 0.00 0.00 *15 T 8.15 4.62 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 1.18 0.00 0.00 *17 R 7.90 4.07 0.00 1.84 1.61 0.00 2.58 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.39 0.00 18 T 7.90 4.50 4.26 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 0.00 0.00 1.20 0.00 0.00 19 W 8.86 4.49 0.00 3.72 3.34 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 20 T 6.33 3.06 3.72 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 -0.22 0.00 0.00 21 A 7.32 3.71 0.74 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 0.00 0.00 22 Y 7.78 4.41 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 23 I 7.38 3.95 1.88 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 1.63 0.63 1.02 0.00 0.00 24 N 8.10 5.05 0.00 2.90 2.99 0.00 0.00 5.78 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 25 Y 8.14 4.54 0.00 2.95 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 26 G 7.58 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.87 4.43 0.00 3.24 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 28 Y 9.12 4.30 0.00 3.31 3.16 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 29 C 8.21 4.53 0.00 3.25 3.37 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 30 G 8.93 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 31 K 8.47 3.99 0.00 1.77 1.77 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 32 G 8.55 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 33 G 7.60 4.45 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 0.00 0.00 0.00 34 S 6.89 4.55 0.00 3.71 3.68 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 0.00 0.00 0.00 35 G 8.53 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 0.00 0.00 0.00 36 T 8.31 4.37 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 1.15 0.00 0.00 37 P 0.00 4.72 0.00 1.87 1.98 0.00 3.34 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.29 0.00 38 V 8.71 3.82 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 0.70 0.00 0.00 0.94 0.00 0.00 39 D 7.62 4.69 0.00 2.90 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 40 K 8.80 3.90 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.53 7.81 41 L 7.88 3.98 0.00 1.69 1.69 0.57 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.06 4.60 0.00 3.22 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 43 R 8.26 3.91 0.00 2.06 1.99 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 44 C 8.38 4.32 0.00 3.63 3.48 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 45 C 8.65 4.50 0.00 3.42 3.53 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 46 Y 8.38 3.97 0.00 2.74 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 47 T 8.39 3.75 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 1.17 0.00 0.00 48 H 8.32 3.84 0.00 2.95 3.33 0.00 5.60 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 49 D 8.39 4.18 0.00 2.99 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 50 H 7.88 4.22 0.00 3.24 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.03 4.34 0.00 3.08 3.09 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 0.00 0.00 0.00 52 Y 7.77 4.10 0.00 2.96 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 53 N 8.06 4.47 0.00 2.79 3.01 0.00 0.00 7.27 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 54 Q 8.28 4.12 0.00 2.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 55 A 8.06 3.70 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 0.00 0.00 56 D 7.51 4.56 0.00 2.85 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 57 S 7.55 4.35 0.00 3.93 3.80 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 58 I 7.34 4.29 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.81 0.00 0.00 59 P 0.00 4.17 0.00 2.00 1.98 0.00 3.76 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 1.99 2.05 0.00 60 G 8.70 3.87 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 0.00 0.00 0.00 61 C 7.92 4.69 0.00 2.84 3.10 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 62 N 8.43 4.87 0.00 2.67 2.59 0.00 0.00 6.86 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 63 P 0.00 3.77 0.00 0.91 1.34 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 64 N 8.41 4.50 0.00 2.80 2.91 0.00 0.00 6.67 6.65 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 65 I 7.42 4.07 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 1.41 0.55 0.89 0.00 0.00 66 K 7.97 3.96 0.00 2.02 1.80 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 T 8.39 4.35 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 1.14 0.00 0.00 68 Y 7.62 4.99 0.00 3.09 3.10 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 69 S 8.74 5.11 0.00 3.87 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 70 Y 8.36 5.38 0.00 3.15 3.12 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 71 T 9.04 4.43 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 1.24 0.00 0.00 72 C 8.78 5.32 0.00 3.19 3.01 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 0.00 0.00 0.00 73 T 8.75 4.40 4.26 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 0.00 0.00 1.22 0.00 0.00 74 Q 7.83 4.02 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.58 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 75 P 0.00 5.42 0.00 2.28 2.25 0.00 3.91 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 2.05 1.95 0.00 76 N 8.81 5.01 0.00 2.72 2.78 0.00 0.00 6.82 5.12 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 77 I 8.36 5.10 1.90 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 1.45 0.67 0.99 0.00 0.00 78 T 9.04 4.65 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 79 C 8.88 5.01 0.00 2.81 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 80 T 8.72 4.06 4.29 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 0.00 0.00 0.00 1.23 0.00 0.00 81 R 8.10 4.11 0.00 1.83 1.92 0.00 3.38 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 82 T 8.52 4.39 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 83 A 8.08 4.01 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.92 4.56 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 85 A 8.43 4.02 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 86 C 8.21 4.18 0.00 2.98 3.25 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 87 A 8.82 4.08 1.51 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 0.00 0.00 88 K 8.42 3.79 0.00 1.91 2.08 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 89 F 8.42 3.95 0.00 3.27 3.15 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 90 L 8.23 3.89 0.00 2.12 1.72 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.81 2.69 0.00 1.91 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 92 D 7.66 4.04 0.00 2.76 2.49 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 93 C 7.66 3.88 0.00 3.12 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 94 D 7.84 3.81 0.00 2.78 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 95 R 8.10 3.80 0.00 1.78 1.97 0.00 3.08 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 1.56 1.63 0.00 96 T 8.13 3.72 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 1.11 0.00 0.00 97 A 7.78 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.36 3.66 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 99 I 7.89 3.67 1.82 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 1.39 0.76 0.90 0.00 0.00 100 C 8.29 4.25 0.00 3.13 3.18 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 0.00 101 F 8.51 4.34 0.00 2.93 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 0.00 102 A 7.64 4.24 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 0.00 103 S 8.07 4.26 0.00 3.91 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 0.00 104 A 7.56 4.32 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 0.00 105 P 0.00 4.41 0.00 2.24 2.11 0.00 3.77 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 2.03 1.98 0.00 106 Y 8.30 4.16 0.00 2.84 2.85 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 0.00 107 N 8.62 4.74 0.00 2.89 2.95 0.00 0.00 6.51 7.33 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 0.00 108 I 8.40 3.35 1.96 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 1.47 0.69 1.11 0.00 0.00 109 N 8.16 4.41 0.00 2.67 2.89 0.00 0.00 6.84 8.00 0.00 0.00 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 N 8.67 4.57 0.00 2.32 2.15 0.00 0.00 6.82 5.12 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 0.00 111 I 7.10 4.01 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 1.03 0.00 0.00 112 M 8.09 3.16 0.00 2.10 2.01 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 2.52 2.42 0.00 113 I 6.98 4.53 1.79 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 1.40 0.84 0.84 0.00 0.00 114 S 8.33 3.85 0.00 3.94 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 0.00 115 A 7.81 4.35 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 0.00 116 S 8.42 4.56 0.00 3.94 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 0.00 117 N 8.51 4.65 0.00 2.82 2.96 0.00 0.00 6.01 7.64 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 0.00 118 S 7.81 4.33 0.00 4.01 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 0.00 119 C 7.70 4.78 0.00 3.02 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 0.00 120 Q 7.95 4.12 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.