NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3730 8.3349 115.4094 56.2530 63.5267 171.6998 3 N 4.0356 7.5009 123.0762 54.5187 42.2567 172.3031 4 T 4.5848 8.7406 114.1882 63.4073 73.0045 173.4514 5 L 4.8447 8.6317 120.9150 54.8401 44.8096 176.4682 6 F 5.1235 7.9052 118.7191 57.1546 43.1256 172.5451 7 D 4.9158 6.0500 120.7237 53.2662 44.1909 173.8351 8 D 4.3580 7.6112 123.2296 54.6080 44.9405 174.5347 9 I 5.2333 7.2550 119.0779 59.5547 41.2347 174.9978 10 F 5.2639 10.5925 124.1827 55.8967 43.0746 174.4807 11 Q 4.9539 9.8602 123.4965 54.1214 29.8742 173.8401 12 V 4.0363 8.4433 126.5179 63.4619 32.1266 176.0230 13 S 4.7449 8.5664 122.9681 58.6367 64.2296 173.8927 14 E 4.6784 7.5231 118.8573 55.7071 32.8004 174.5587 15 V 4.2763 8.4647 125.3912 61.2446 33.2155 172.7300 16 D 4.9489 8.8100 126.9609 52.1901 42.3982 174.7853 17 P 4.3872 0.0000 0.0000 62.8882 32.5506 177.2486 18 G 3.5393 9.4003 102.8774 47.4787 0.0000 174.3498 19 R 3.5827 8.2427 124.6099 56.8550 28.6060 176.1780 20 Y 4.6580 7.8740 115.0722 56.9979 39.4078 175.1133 21 N 5.0653 8.7568 116.0297 53.1878 40.5731 175.2699 22 K 4.7240 8.0160 115.0091 55.3691 35.2216 175.7589 23 V 4.9677 7.8223 119.6926 61.2896 35.2043 173.8341 24 C 5.0960 8.7042 121.9518 58.3346 33.4438 173.2322 25 R 4.8463 9.5475 123.9117 55.0949 31.0766 175.0574 26 I 5.0789 8.7184 128.3960 59.8544 39.5443 175.2561 27 E 5.6165 8.9248 125.0449 53.5294 31.8012 172.7094 28 A 5.2745 8.3326 127.4026 49.7474 21.5239 175.9423 29 A 4.4925 9.0030 124.4563 51.7802 20.3521 175.9687 30 S 4.3831 8.0116 113.4306 56.9408 63.6040 174.3855 31 T 4.0261 7.9954 123.3682 64.7346 69.2856 177.2158 32 T 3.3642 8.7541 123.4791 64.0198 65.1755 175.6544 33 Q 4.0456 8.9348 133.5861 57.0875 28.7282 176.6691 34 D 4.2409 8.6787 123.2056 56.4399 40.8286 177.6355 35 Q 4.0541 7.2634 118.7372 57.9644 28.8809 175.4257 36 C 4.6033 7.9834 116.0069 59.6480 32.5428 172.5925 37 K 4.9189 8.7434 123.6866 54.9856 37.1200 174.6651 38 L 4.7418 8.3434 120.3945 54.3498 46.0545 174.1661 39 T 5.1855 8.4626 122.0937 61.7240 71.8893 172.7466 40 L 5.0737 9.2107 127.4926 53.8215 46.2497 173.8821 41 D 5.2828 8.6946 125.3108 53.4775 42.2309 176.1153 42 I 4.5448 8.5587 123.5516 59.4417 41.6244 174.9787 43 N 4.8210 9.9538 126.0021 52.5501 37.4420 175.3076 44 V 3.8198 8.5008 125.3353 65.4675 31.9672 178.2111 45 E 4.0652 7.9893 118.6379 58.5680 29.3230 177.6211 46 L 4.7456 7.6829 115.9694 53.7885 42.6021 176.5275 47 F 4.8663 7.7342 117.9237 56.7274 41.6556 171.3686 48 P 4.2892 0.0000 0.0000 62.6858 32.2396 175.9714 49 V 4.2576 7.6432 117.4026 61.6525 34.3942 173.3416 50 A 4.6507 9.0375 127.3607 49.7534 22.6659 175.7769 51 A 4.1533 8.4293 121.9657 53.2550 18.8080 177.9402 52 Q 3.3937 9.1388 115.9756 56.7650 27.4570 173.9732 53 D 4.7918 7.7302 118.4160 54.1722 42.7241 175.4707 54 S 5.5494 8.3614 112.9449 56.0107 64.1375 173.2087 55 L 4.8336 8.5969 125.3605 53.7000 44.5217 175.6714 56 T 5.0008 8.1126 116.1987 62.1352 70.4591 173.6623 57 V 4.8279 9.2451 127.5874 61.5872 33.8868 174.2888 58 T 5.2032 8.5040 124.8547 61.5941 70.6811 173.9566 59 I 4.1582 9.1363 128.8690 58.7529 36.8295 179.8572 60 A 3.7832 8.7991 126.4725 52.6693 17.7434 178.6593 61 S 5.2018 8.1384 108.8913 58.5611 63.9900 175.5925 62 S 4.1496 7.8436 116.7004 60.4604 64.5490 175.3944 63 L 3.3250 7.3911 115.3126 56.5669 37.7722 177.0357 *76 T 4.2158 7.4866 112.5382 61.9716 70.8463 171.5044 77 R 4.0809 8.1437 127.4965 55.1013 30.4148 177.9429 78 S 4.4662 8.4658 115.4161 58.9763 63.5326 171.1276 79 W 4.1225 7.8779 134.5378 57.3017 32.2582 174.8451 80 R 4.3930 7.3763 125.0220 53.7271 31.8477 172.9638 81 P 3.8058 0.0000 0.0000 63.4378 33.2465 178.0679 82 P 4.7991 0.0000 0.0000 60.4611 29.9802 179.1684 83 Q 3.0620 8.5776 110.9092 57.1507 28.8699 175.1572 84 A 3.6517 7.6609 119.7479 55.2534 18.7574 179.6570 85 G 3.5311 7.5995 103.3922 47.5576 0.0000 173.5551 86 D 4.9142 8.5518 118.2576 54.0512 43.2537 176.2817 87 R 4.6084 7.8316 116.6296 56.5124 30.5431 177.5782 88 S 4.2904 8.8945 118.0662 59.7221 62.1813 174.8005 89 L 4.3651 7.5490 129.7757 55.0314 40.9886 178.8143 90 A 4.0958 7.8431 116.1229 53.4134 18.4374 178.5366 91 D 4.8521 8.2100 119.6619 52.9826 38.1908 175.4010 92 D 4.7842 8.6051 124.9951 54.8863 41.2585 175.5434 93 Y 4.8507 7.8061 117.2199 56.7237 40.8755 172.7846 94 D 4.8753 8.1559 117.3498 56.6165 42.5286 176.3259 95 Y 4.1147 7.3676 118.3591 57.6581 40.5045 174.7180 96 V 4.2794 7.5323 126.1075 62.4376 33.9781 173.2623 97 M 4.4094 8.0071 130.0412 55.0015 35.3915 174.5347 98 Y 4.7169 8.2941 116.7022 58.2406 40.4151 173.3150 99 G 3.8181 8.2726 116.9376 44.7293 0.0000 170.4697 100 T 4.8911 8.4933 115.2451 60.5876 72.8693 173.6905 101 A 4.8221 8.8966 125.8333 49.8391 19.5417 176.0913 102 Y 4.4778 8.1721 120.5401 57.1779 39.1431 175.9012 103 K 3.4708 7.6480 119.2086 58.1727 32.1016 177.1867 104 F 4.5140 8.3098 123.9903 55.4184 37.3996 174.7065 105 E 4.8471 8.0454 124.3916 55.2218 27.4424 177.3058 106 E 3.9530 8.6998 122.1565 57.6758 30.0296 177.5851 107 V 3.3257 7.2898 115.6467 63.2817 30.9113 173.1806 108 S 4.2696 7.5416 112.7095 59.0474 65.1969 175.0124 109 K 3.7008 9.1718 123.1321 57.5733 31.2344 175.3373 110 D 4.8455 9.2232 126.8299 54.7698 43.7193 176.0595 111 L 4.5569 7.5758 118.8340 54.0954 43.9220 176.0316 112 I 4.6652 8.8005 120.5526 59.7520 40.4591 174.6473 113 A 4.8282 8.4924 128.9879 50.6509 21.4362 175.8996 114 V 4.6420 8.2217 112.9412 59.6391 36.1434 174.2507 115 Y 5.0206 8.1936 119.8523 56.4045 41.1207 174.3293 116 Y 5.0085 8.9760 120.6420 56.1916 42.3525 174.6929 117 S 4.6589 9.2907 116.5329 56.9067 65.5309 173.0912 118 F 4.5193 9.7619 129.2890 56.2339 38.0944 175.9850 119 G 3.9434 9.2948 107.5396 46.3396 0.0000 171.4923 120 G 3.9004 7.2654 109.0457 45.3998 0.0000 174.9686 121 L 4.2379 8.5908 121.6873 54.2777 41.9361 176.3857 122 L 5.1545 9.1097 124.7363 54.5594 43.9073 175.5387 123 M 5.4154 8.8698 118.6725 54.7582 36.4217 173.8798 124 R 5.0621 8.8974 125.2604 55.1947 33.5842 173.6824 125 L 4.8046 8.2933 126.4193 53.4264 44.6145 175.5744 126 E 4.6796 8.6121 122.3798 53.6996 32.6633 173.5902 127 G 3.8066 8.1900 120.6305 45.1121 0.0000 172.9884 128 N 4.3403 7.5628 126.3897 53.9424 42.7847 174.2087 129 Y 4.4707 6.6309 113.5863 57.5467 38.5895 175.9166 130 R 4.3581 7.3569 119.2999 56.9469 30.6191 177.5931 131 N 4.1499 8.1705 115.9276 55.8087 38.5588 175.4819 132 L 4.7593 7.9074 114.2529 54.5574 42.7716 176.6048 133 N 4.6778 8.7460 117.0981 55.2694 39.2821 175.8752 134 N 4.8161 7.7815 113.4493 52.2183 40.1008 174.4848 135 L 4.5395 8.0770 119.2684 54.2348 43.6050 177.5207 136 K 4.5627 8.3248 118.3605 56.7920 33.5228 175.6053 137 Q 4.3114 7.5938 114.3220 55.6168 32.4253 174.3724 138 E 3.1166 9.4170 114.6768 56.5885 31.7975 176.9799 139 N 4.3147 7.7830 110.3130 48.4861 39.2469 174.8543 140 A 5.0313 8.6495 130.1348 52.3147 21.9186 175.2218 141 Y 4.5778 8.4067 120.7563 56.7317 40.5410 175.0659 142 L 4.7105 8.4622 121.8918 53.3942 45.2049 175.1590 143 L 5.1294 8.6561 125.6652 53.0807 45.3040 175.6442 144 I 5.7579 8.5266 121.1654 59.6849 41.2343 174.2374 145 R 5.0599 8.3874 121.1994 55.5834 33.1117 175.4219 146 R 4.2561 9.8996 120.6302 57.0028 30.8747 176.0187 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 S 8.33 4.37 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 3 N 7.50 4.04 0.00 2.80 2.79 0.00 0.00 7.07 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 4 T 8.74 4.58 4.28 0.00 0.00 0.00 0.00 0.00 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 5 L 8.63 4.84 0.00 1.73 1.91 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.91 5.12 0.00 3.22 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 7 D 6.05 4.92 0.00 2.56 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 0.00 0.00 0.00 0.00 8 D 7.61 4.36 0.00 2.50 2.41 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 9 I 7.25 5.23 1.83 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 1.40 0.89 1.01 0.00 0.00 10 F 10.59 5.26 0.00 3.03 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 11 Q 9.86 4.95 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 12 V 8.44 4.04 2.12 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 0.92 0.00 0.00 0.99 0.00 0.00 13 S 8.57 4.74 0.00 3.96 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 14 E 7.52 4.68 0.00 2.03 1.77 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 2.21 2.24 0.00 15 V 8.46 4.28 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 0.88 0.00 0.00 0.93 0.00 0.00 16 D 8.81 4.95 0.00 2.90 2.54 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 0.00 17 P 0.00 4.39 0.00 2.27 2.18 0.00 3.45 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 18 G 9.40 3.54 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 0.00 0.00 0.00 0.00 19 R 8.24 3.58 0.00 1.69 1.73 0.00 3.27 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 20 Y 7.87 4.66 0.00 3.25 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 21 N 8.76 5.07 0.00 2.72 2.84 0.00 0.00 6.69 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 22 K 8.02 4.72 0.00 1.68 1.79 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 23 V 7.82 4.97 1.70 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 0.82 0.00 0.00 0.83 0.00 0.00 24 C 8.70 5.10 0.00 2.88 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 25 R 9.55 4.85 0.00 1.82 1.85 0.00 3.13 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 26 I 8.72 5.08 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 1.09 1.20 0.96 0.00 0.00 27 E 8.92 5.62 0.00 2.00 1.80 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 2.28 2.24 0.00 28 A 8.33 5.27 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 29 A 9.00 4.49 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 30 S 8.01 4.38 0.00 3.63 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 31 T 8.00 4.03 4.13 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 1.16 0.00 0.00 32 T 8.75 3.36 4.15 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 1.13 0.00 0.00 33 Q 8.93 4.05 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 34 D 8.68 4.24 0.00 2.69 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 35 Q 7.26 4.05 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 36 C 7.98 4.60 0.00 3.31 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 37 K 8.74 4.92 0.00 1.74 1.70 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.63 7.81 38 L 8.34 4.74 0.00 1.60 1.39 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.46 5.19 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 1.24 0.00 0.00 40 L 9.21 5.07 0.00 1.62 1.37 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.69 5.28 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 42 I 8.56 4.54 1.76 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 0.84 1.13 0.48 0.00 0.00 43 N 9.95 4.82 0.00 2.81 3.00 0.00 0.00 6.61 7.80 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 44 V 8.50 3.82 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 0.87 0.00 0.00 0.92 0.00 0.00 45 E 7.99 4.07 0.00 2.27 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 2.38 2.33 0.00 46 L 7.68 4.75 0.00 1.84 1.80 0.97 0.79 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 47 F 7.73 4.87 0.00 3.12 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 48 P 0.00 4.29 0.00 1.89 1.89 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 49 V 7.64 4.26 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 0.73 0.00 0.00 0.89 0.00 0.00 50 A 9.04 4.65 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 0.00 0.00 0.00 0.00 0.00 51 A 8.43 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.14 3.39 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 7.73 4.79 0.00 2.76 2.64 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 54 S 8.36 5.55 0.00 3.86 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 55 L 8.60 4.83 0.00 1.77 1.74 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.11 5.00 4.37 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 1.33 0.00 0.00 57 V 9.25 4.83 2.48 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 1.03 0.00 0.00 0.88 0.00 0.00 58 T 8.50 5.20 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 1.37 0.00 0.00 59 I 9.14 4.16 2.17 0.00 0.00 1.00 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 0.74 0.97 0.00 0.00 60 A 8.80 3.78 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 61 S 8.14 5.20 0.00 4.05 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 62 S 7.84 4.15 0.00 3.89 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 63 L 7.39 3.32 0.00 1.59 1.58 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.49 4.22 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 1.33 0.00 0.00 77 R 8.14 4.08 0.00 2.03 2.01 0.00 3.25 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 78 S 8.47 4.47 0.00 4.09 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 79 W 7.88 4.12 0.00 3.38 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 80 R 7.38 4.39 0.00 1.51 1.54 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 81 P 0.00 3.81 0.00 1.86 1.78 0.00 3.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 82 P 0.00 4.80 0.00 2.15 1.55 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 83 Q 8.58 3.06 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 84 A 7.66 3.65 1.21 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 0.00 0.00 85 G 7.60 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 0.00 0.00 0.00 86 D 8.55 4.91 0.00 2.56 2.82 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 0.00 0.00 0.00 87 R 7.83 4.61 0.00 1.72 0.93 0.00 3.21 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 88 S 8.89 4.29 0.00 3.93 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 89 L 7.55 4.37 0.00 1.73 1.69 0.91 0.84 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 90 A 7.84 4.10 1.24 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 0.00 0.00 0.00 91 D 8.21 4.85 0.00 2.80 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 92 D 8.61 4.78 0.00 2.50 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 93 Y 7.81 4.85 0.00 2.80 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 94 D 8.16 4.88 0.00 2.59 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 95 Y 7.37 4.11 0.00 2.00 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 0.00 0.00 0.00 0.00 96 V 7.53 4.28 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 97 M 8.01 4.41 0.00 1.61 1.21 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 98 Y 8.29 4.72 0.00 2.25 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 99 G 8.27 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.49 4.89 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 1.16 0.00 0.00 101 A 8.90 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.17 4.48 0.00 2.73 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 0.00 103 K 7.65 3.47 0.00 1.47 1.82 0.00 1.25 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.20 7.81 104 F 8.31 4.51 0.00 2.76 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 0.00 105 E 8.05 4.85 0.00 2.06 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 2.36 2.31 0.00 106 E 8.70 3.95 0.00 1.99 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 2.47 2.72 0.00 107 V 7.29 3.33 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 0.74 0.00 0.00 0.98 0.00 0.00 108 S 7.54 4.27 0.00 4.04 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 0.00 109 K 9.17 3.70 0.00 1.86 1.49 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.44 7.81 110 D 9.22 4.85 0.00 2.63 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 0.00 111 L 7.58 4.56 0.00 1.60 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.80 4.67 1.77 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 1.13 1.05 0.85 0.00 0.00 113 A 8.49 4.83 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 0.00 114 V 8.22 4.64 1.74 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 0.62 0.00 0.00 0.67 0.00 0.00 115 Y 8.19 5.02 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.98 5.01 0.00 2.94 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 0.00 0.00 0.00 0.00 117 S 9.29 4.66 0.00 3.67 3.57 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 0.00 0.00 0.00 0.00 118 F 9.76 4.52 0.00 3.12 2.93 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 0.00 119 G 9.29 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 0.00 120 G 7.27 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 0.00 0.00 0.00 121 L 8.59 4.24 0.00 1.95 1.73 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.11 5.15 0.00 1.81 1.84 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.87 5.42 0.00 2.57 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 124 R 8.90 5.06 0.00 1.42 1.48 0.00 2.70 0.00 0.00 3.02 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 125 L 8.29 4.80 0.00 1.44 1.34 0.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.61 4.68 0.00 1.87 1.73 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 2.15 2.18 0.00 127 G 8.19 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 0.00 128 N 7.56 4.34 0.00 2.57 2.76 0.00 0.00 6.85 7.54 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 0.00 129 Y 6.63 4.47 0.00 3.20 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 0.00 130 R 7.36 4.36 0.00 1.78 1.99 0.00 2.90 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 131 N 8.17 4.15 0.00 2.73 2.92 0.00 0.00 6.78 7.85 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 0.00 132 L 7.91 4.76 0.00 1.64 1.67 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.75 4.68 0.00 2.86 3.22 0.00 0.00 6.89 8.57 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 0.00 134 N 7.78 4.82 0.00 2.71 2.79 0.00 0.00 6.89 7.85 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 0.00 135 L 8.08 4.54 0.00 1.74 1.79 1.06 0.82 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 0.00 136 K 8.32 4.56 0.00 1.62 1.67 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.38 7.81 137 Q 7.59 4.31 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 138 E 9.42 3.12 0.00 2.04 1.66 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 0.00 2.31 2.28 0.00 139 N 7.78 4.31 0.00 2.80 2.88 0.00 0.00 6.68 7.35 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 0.00 140 A 8.65 5.03 1.26 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 0.00 0.00 0.00 141 Y 8.41 4.58 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.46 4.71 0.00 1.56 1.05 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.66 5.13 0.00 0.35 0.13 0.33 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.53 5.76 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.63 0.90 0.00 0.00 145 R 8.39 5.06 0.00 1.82 2.01 0.00 2.84 0.00 0.00 2.59 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 146 R 9.90 4.26 0.00 1.98 1.98 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.