NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3866 8.2601 123.6194 51.9168 20.4171 177.4464 3 A 4.1100 8.2218 121.8825 52.9490 19.4814 172.5744 4 V 4.6928 8.6048 116.3426 61.3269 34.4615 173.1380 5 T 4.7121 9.5274 125.9419 61.9214 71.0909 173.1530 6 Q 5.3557 8.8333 125.5197 54.4375 30.9109 175.2722 7 S 4.8642 9.3953 118.1470 55.9288 66.5294 172.3498 8 P 4.8188 0.0000 0.0000 62.3713 32.4313 176.3396 9 R 4.2739 8.4311 117.0942 58.4803 31.0993 176.3893 10 N 5.5120 8.0330 113.9116 51.4129 43.0231 174.0902 11 K 4.5108 9.0618 122.2353 55.0294 36.0762 174.8158 12 V 4.7423 8.6018 127.2120 61.3378 32.8975 174.3365 13 A 4.9963 9.0995 130.0804 50.1339 22.5663 174.6537 14 V 4.5358 8.6372 119.7139 61.1474 33.6540 175.5352 15 T 4.0227 8.5853 123.8867 65.6243 68.6620 173.9215 16 G 4.0980 9.1952 115.4402 44.5221 0.0000 173.7440 17 E 4.1633 8.0919 119.6975 55.9707 30.7242 176.3237 18 K 4.6609 8.4974 124.8850 56.3102 33.3910 176.0505 19 V 4.3677 8.9753 127.1693 61.3106 34.5107 173.9869 20 T 4.8845 8.4997 124.0599 61.7665 70.8554 173.2792 21 L 4.5585 8.7953 127.2004 53.1785 43.9581 175.7039 22 S 5.3601 9.2930 120.1792 57.0216 65.8080 172.4158 23 C 5.4488 9.2806 123.3636 54.9851 44.6438 172.1696 24 Q 5.3342 9.3903 128.5845 54.2304 31.2416 174.1369 25 Q 5.1122 8.9630 124.2809 54.4888 31.5164 175.2976 26 T 4.5270 8.6957 110.0948 61.7764 69.6893 175.5965 27 N 4.1357 8.1795 119.5713 54.2914 38.7618 174.7145 28 N 4.2588 8.1576 114.5182 54.4497 37.5785 173.3418 29 H 4.5633 8.2033 112.7019 55.1108 29.3550 175.7096 30 N 4.4855 8.9231 121.1265 55.8079 38.8885 175.1005 31 N 5.5494 8.1619 115.0809 51.1470 41.0942 174.4604 32 M 5.0193 7.4747 120.4237 53.8199 36.8187 173.8760 33 Y 5.2128 8.7306 116.8733 56.4692 43.2579 174.1628 34 W 5.4920 9.3990 122.0039 55.3063 32.5428 174.2003 35 Y 5.4558 10.2597 122.1227 56.2471 41.7007 174.3838 36 R 4.6884 9.0340 122.0114 54.6682 33.1333 174.5597 37 Q 5.0208 9.3338 127.6036 54.1775 30.8696 174.0946 38 D 4.7526 8.4707 125.8656 53.6900 42.6234 176.1804 39 T 3.8853 8.4983 118.1271 65.6623 68.7170 174.6516 40 G 3.7969 9.0461 113.7011 45.8423 0.0000 171.8770 41 H 4.8799 8.0416 115.6195 53.2015 32.1745 173.1553 42 G 3.9333 8.2320 107.9831 45.3285 0.0000 172.9278 43 L 4.4741 8.2024 120.1170 54.7771 42.0970 177.1421 44 R 4.7540 9.3042 124.0971 54.1978 32.7455 175.3932 45 L 3.9528 8.6467 126.1237 55.4346 42.7748 176.7607 46 I 3.9575 9.0911 128.5569 63.6636 38.0572 175.5278 47 H 5.6101 8.0319 117.2364 54.9387 33.8876 171.4719 48 Y 5.1957 8.8262 118.1309 56.5377 42.2270 173.3337 49 S 4.5361 7.8907 112.1572 57.6366 65.7775 174.4835 50 Y 4.5925 9.4735 124.3832 57.3646 38.3813 175.4974 51 G 4.0585 7.3129 111.2072 44.4511 0.0000 172.1371 52 V 3.7563 8.0140 118.4933 63.5909 31.0648 177.0036 53 G 3.9463 9.1717 112.5963 45.2103 0.0000 172.5212 54 N 4.9158 7.9867 118.6122 51.8809 40.4580 173.8535 55 T 4.8748 8.2139 114.3646 59.9520 72.0873 172.8544 56 E 4.5485 8.8632 123.0171 54.0153 33.3027 175.4115 57 K 4.3228 8.6881 123.6413 56.6026 32.4912 177.6774 58 G 4.2306 8.6465 117.7728 47.0011 0.0000 173.9915 59 D 4.8049 9.0031 120.9200 55.2255 41.7029 177.3174 60 I 4.8408 7.1623 110.2459 59.3587 35.5845 174.6097 61 P 4.3982 0.0000 0.0000 65.8931 32.5354 178.6611 62 D 4.3563 8.1671 120.7766 55.6236 41.2341 176.5700 63 G 3.5827 8.6773 110.7143 46.1279 0.0000 172.1901 *65 Y 4.8735 7.3330 115.3400 57.8096 39.3024 174.4191 66 K 4.7813 9.0563 120.5505 54.6134 36.3213 174.8167 67 A 5.0115 8.1266 121.9762 50.4520 22.8385 175.4707 68 S 4.4449 8.6737 113.0352 57.0434 66.2513 173.3500 69 R 5.0552 8.9412 128.0150 53.4120 28.9321 174.0522 70 P 4.4361 0.0000 0.0000 64.1058 32.4208 177.0792 71 S 4.6645 7.6010 112.4401 56.8486 65.8015 174.2299 72 H 4.0440 8.8861 120.7619 59.1651 29.7249 176.0033 73 E 4.2734 7.9506 116.4369 57.1239 30.2364 175.4293 74 Q 5.1424 7.8915 120.5855 54.1164 32.5623 173.9632 75 F 5.2967 9.4370 127.9916 57.0824 42.2222 173.6400 76 S 5.1439 9.2808 123.1691 56.8151 65.5950 172.9001 77 L 4.5791 8.3492 125.9579 53.1262 44.0513 174.9483 78 I 4.6597 8.6879 126.9776 59.5248 40.4279 174.6150 79 L 4.4946 8.8012 128.6164 53.0982 41.6838 178.0156 80 V 3.6561 8.2561 118.7291 63.9967 31.8335 176.7981 81 S 4.4400 7.5473 114.0729 56.1807 64.1746 172.3696 82 A 4.3493 9.1443 129.0234 52.5282 19.3608 176.2125 83 T 4.7687 8.6660 111.5868 59.0308 71.9276 173.3157 84 P 4.2581 0.0000 0.0000 66.0378 31.4990 178.7162 85 S 4.2632 7.9983 110.6120 60.6193 62.9826 174.7594 86 Q 4.4398 8.1742 119.2297 56.5380 28.8996 176.1074 87 S 4.4239 7.9471 115.7220 59.5959 63.4386 173.8947 88 S 4.5067 8.3934 118.1696 58.2426 67.4316 173.9773 89 V 4.8456 7.4140 118.1980 61.3970 33.7723 174.5113 90 Y 5.2234 9.1238 125.5164 56.3346 40.9849 174.7117 91 F 5.4953 9.9076 121.8647 56.0030 43.0435 172.0410 92 C 5.0581 9.3166 117.8943 53.9595 45.6387 172.3385 93 A 5.2155 8.6686 120.0471 50.6031 22.6109 175.5495 94 S 5.1092 8.7660 115.1089 56.7268 66.6287 173.0495 95 G 4.4902 8.8437 107.0567 46.8625 0.0000 172.2352 96 V 4.6225 7.8900 116.9906 60.7740 34.1368 174.3316 97 G 3.7427 8.9691 111.9942 47.4169 0.0000 174.7312 98 G 3.8896 8.6817 112.9332 45.8233 0.0000 173.1635 99 T 4.2454 8.0477 118.3898 63.2779 69.7736 173.7311 100 L 5.0115 8.3634 124.3592 53.0485 45.4883 175.2432 101 Y 4.2987 8.9576 125.0534 55.8269 40.9923 174.2319 *108 F 4.9130 8.6262 124.8398 57.2428 40.4688 175.5000 109 G 4.1823 9.3012 109.8419 45.7515 0.0000 173.5445 110 A 4.4154 8.7896 121.3337 52.7660 18.8773 178.8572 111 G 3.2182 8.7801 101.1190 45.3217 0.0000 173.1780 112 T 5.0877 8.3578 116.4170 60.3293 72.0896 173.5656 113 R 4.6050 8.6566 126.4971 55.7695 31.7017 175.2241 114 L 5.1419 9.3154 126.7780 53.2374 45.0630 174.7589 115 S 4.8053 9.1143 121.5272 56.6133 64.7550 172.6088 116 V 4.6650 8.5896 128.4789 61.4627 32.6858 175.6634 117 L 4.3788 9.1839 128.0048 54.8738 41.8311 176.6117 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 A 8.26 4.39 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 3 A 8.22 4.11 0.68 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 4 V 8.60 4.69 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 0.89 0.00 0.00 0.90 0.00 0.00 5 T 9.53 4.71 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 6 Q 8.83 5.36 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 7 S 9.40 4.86 0.00 3.82 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 8 P 0.00 4.82 0.00 2.44 2.11 0.00 3.75 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 1.98 1.97 0.00 9 R 8.43 4.27 0.00 1.79 2.04 0.00 3.42 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 8.03 5.51 0.00 2.55 2.67 0.00 0.00 6.60 7.61 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 11 K 9.06 4.51 0.00 1.79 1.57 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.60 4.74 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.10 5.00 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 14 V 8.64 4.54 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 1.01 0.00 0.00 0.92 0.00 0.00 15 T 8.59 4.02 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 1.19 0.00 0.00 16 G 9.20 4.10 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 0.00 0.00 0.00 17 E 8.09 4.16 0.00 1.97 1.84 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 2.30 2.33 0.00 18 K 8.50 4.66 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.49 7.81 19 V 8.98 4.37 1.94 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 0.70 0.00 0.00 0.85 0.00 0.00 20 T 8.50 4.88 4.17 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 1.13 0.00 0.00 21 L 8.80 4.56 0.00 0.61 1.26 0.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.29 5.36 0.00 3.91 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 23 C 9.28 5.45 0.00 2.74 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 24 Q 9.39 5.33 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 25 Q 8.96 5.11 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 26 T 8.70 4.53 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 1.18 0.00 0.00 27 N 8.18 4.14 0.00 2.60 2.18 0.00 0.00 7.01 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 28 N 8.16 4.26 0.00 2.78 2.83 0.00 0.00 7.05 7.89 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 29 H 8.20 4.56 0.00 3.30 3.41 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.92 4.49 0.00 2.74 2.91 0.00 0.00 6.92 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 31 N 8.16 5.55 0.00 2.71 2.01 0.00 0.00 6.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.47 5.02 0.00 1.71 1.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 33 Y 8.73 5.21 0.00 2.92 2.51 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 34 W 9.40 5.49 0.00 3.27 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 35 Y 10.26 5.46 0.00 3.25 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 36 R 9.03 4.69 0.00 1.71 1.72 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.00 37 Q 9.33 5.02 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 38 D 8.47 4.75 0.00 2.73 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 39 T 8.50 3.89 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 1.21 0.00 0.00 40 G 9.05 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 0.00 0.00 0.00 41 H 8.04 4.88 0.00 3.21 3.20 0.00 5.65 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 42 G 8.23 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 43 L 8.20 4.47 0.00 1.20 1.30 0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.30 4.75 0.00 1.77 1.90 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 45 L 8.65 3.95 0.00 1.72 1.57 0.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.09 3.96 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.67 0.53 0.00 0.00 47 H 8.03 5.61 0.00 3.15 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.83 5.20 0.00 2.60 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 49 S 7.89 4.54 0.00 3.42 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 50 Y 9.47 4.59 0.00 2.99 2.81 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 51 G 7.31 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.01 3.76 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 0.75 0.00 0.00 0.99 0.00 0.00 53 G 9.17 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 54 N 7.99 4.92 0.00 2.70 2.88 0.00 0.00 6.90 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 55 T 8.21 4.87 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 1.34 0.00 0.00 56 E 8.86 4.55 0.00 1.16 1.16 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 1.91 1.70 0.00 57 K 8.69 4.32 0.00 1.68 1.80 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.48 7.81 58 G 8.65 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 0.00 0.00 0.00 0.00 59 D 9.00 4.80 0.00 2.62 2.78 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 60 I 7.16 4.84 1.96 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 1.45 0.68 0.96 0.00 0.00 61 P 0.00 4.40 0.00 2.15 2.17 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 62 D 8.17 4.36 0.00 2.74 2.67 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 63 G 8.68 3.58 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 0.00 0.00 0.00 *65 Y 7.33 4.87 0.00 3.11 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 66 K 9.06 4.78 0.00 1.53 1.59 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.45 7.81 67 A 8.13 5.01 0.97 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 0.00 0.00 68 S 8.67 4.44 0.00 3.85 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 69 R 8.94 5.06 0.00 2.06 1.81 0.00 3.58 0.00 0.00 2.97 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 70 P 0.00 4.44 0.00 2.25 2.19 0.00 4.17 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 2.04 1.99 0.00 71 S 7.60 4.66 0.00 4.00 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 72 H 8.89 4.04 0.00 3.09 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.95 4.27 0.00 2.18 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 0.00 2.30 2.29 0.00 74 Q 7.89 5.14 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 75 F 9.44 5.30 0.00 2.78 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 76 S 9.28 5.14 0.00 3.74 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 77 L 8.35 4.58 0.00 0.27 0.13 0.64 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.69 4.66 1.77 0.00 0.00 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 1.14 0.41 0.82 0.00 0.00 79 L 8.80 4.49 0.00 1.43 1.45 0.70 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.26 3.66 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 0.60 0.00 0.00 0.86 0.00 0.00 81 S 7.55 4.44 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 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 83 T 8.67 4.77 4.22 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 1.20 0.00 0.00 84 P 0.00 4.26 0.00 2.20 2.18 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 85 S 8.00 4.26 0.00 4.00 4.01 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 86 Q 8.17 4.44 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 87 S 7.95 4.42 0.00 3.81 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 88 S 8.39 4.51 0.00 3.76 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 89 V 7.41 4.85 2.27 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 0.73 0.00 0.00 0.95 0.00 0.00 90 Y 9.12 5.22 0.00 3.05 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 91 F 9.91 5.50 0.00 3.17 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 92 C 9.32 5.06 0.00 1.92 1.18 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 93 A 8.67 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.77 5.11 0.00 3.98 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 95 G 8.84 4.49 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 96 V 7.89 4.62 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 0.59 0.00 0.00 0.95 0.00 0.00 97 G 8.97 3.74 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 0.00 98 G 8.68 3.89 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 0.00 0.00 0.00 99 T 8.05 4.25 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 1.24 0.00 0.00 100 L 8.36 5.01 0.00 1.39 0.98 0.84 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.96 4.30 0.00 3.05 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 *108 F 8.63 4.91 0.00 2.92 3.06 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 0.00 0.00 0.00 109 G 9.30 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 0.00 0.00 0.00 0.00 110 A 8.79 4.42 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 0.00 111 G 8.78 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 0.00 0.00 0.00 112 T 8.36 5.09 4.40 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 1.27 0.00 0.00 113 R 8.66 4.61 0.00 1.79 1.89 0.00 3.08 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 114 L 9.32 5.14 0.00 1.80 1.80 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.11 4.81 0.00 3.92 3.70 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 0.00 116 V 8.59 4.66 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 0.80 0.00 0.00 0.95 0.00 0.00 117 L 9.18 4.38 0.00 1.59 1.53 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.