NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5321 8.0333 110.9794 60.6728 70.0295 174.4533 3 P 3.9114 0.0000 0.0000 64.3691 31.1983 175.8004 4 D 4.6233 7.8844 116.9029 54.2485 42.2386 176.2395 5 F 4.4828 8.5022 123.2994 58.3184 39.8615 174.1268 6 Q 4.7579 7.7043 125.5246 54.0423 32.7847 174.4811 7 I 4.0807 8.1375 122.6699 59.4371 39.4597 174.7408 8 V 4.7532 8.2726 126.9681 61.3734 33.7752 174.6963 9 T 4.7478 8.3105 118.8905 59.6996 71.4421 173.1104 10 Q 4.0666 8.8307 121.0841 59.2709 29.1115 177.9248 11 R 4.5089 8.5620 114.6492 55.7949 31.9385 175.3456 12 L 5.1659 7.6057 116.9910 52.6698 46.3608 175.2995 13 Q 4.6720 9.1587 122.4060 54.4226 32.1388 173.8335 14 L 5.3360 8.8835 127.7062 53.4246 43.6912 175.9965 15 R 5.1284 8.9786 119.2534 55.0490 33.4442 174.0438 16 L 3.9485 7.8855 119.7016 54.6969 41.9550 177.6837 17 I 4.1740 8.3826 125.0497 61.5019 37.9069 175.9581 18 T 4.3401 8.9935 115.3998 59.7984 70.8952 175.5491 19 A 3.9288 8.5058 124.8125 55.7103 18.3070 179.2505 20 D 4.6219 7.5445 112.7940 55.8625 40.9707 176.6581 21 E 5.1627 8.5838 118.5277 55.3657 30.1943 177.7698 22 A 4.0660 7.7761 123.3925 55.3082 18.2160 180.0306 23 E 3.9037 8.2747 117.2630 59.7424 29.6940 178.8208 24 E 4.0659 8.2742 117.9500 59.3359 29.4668 179.0107 25 L 4.2399 8.2298 120.5560 58.0132 42.2116 179.0331 26 V 4.0866 8.3198 118.5915 66.2961 31.5274 177.5000 27 Q 4.0589 8.4638 119.5046 59.6926 28.6066 178.1791 28 C 4.3164 8.0077 117.9346 62.5903 31.8844 175.3238 29 I 3.8254 7.8302 121.1338 64.3004 36.5926 178.5882 30 R 4.0292 8.4166 118.1833 59.0713 29.9579 178.4887 31 Q 4.2643 8.1315 116.0303 56.0181 28.0248 175.7400 32 S 4.5730 7.4868 116.4117 56.6608 63.3658 174.6299 33 Q 4.3163 8.8777 129.1206 58.5171 29.2455 176.7547 34 T 4.3984 7.4271 105.8172 61.1726 70.9351 175.8714 35 L 3.9764 8.3088 123.4138 58.1000 41.2692 178.8590 36 H 3.6802 7.9658 113.7802 58.2650 28.1800 176.6366 37 Q 3.7836 6.8966 118.2849 56.7520 28.7827 176.3756 38 W 4.7373 7.2659 119.9077 57.7820 30.7417 176.9628 39 V 3.6009 7.0901 116.9378 62.0468 31.6178 175.1899 40 D 3.8372 8.4168 127.1165 56.8823 41.2871 176.5907 41 W 4.2129 7.2189 113.5635 55.8088 28.9719 174.7711 *46 F 4.6335 8.2558 119.6202 58.0678 38.8134 174.7406 47 S 4.3834 7.9756 123.4658 57.3386 65.6976 174.5681 48 Q 3.7258 8.3411 123.7683 59.4822 28.7103 178.7012 49 Q 4.0543 7.9064 120.1620 59.0115 29.1736 177.7743 50 E 4.0405 7.9649 119.1040 59.1577 29.4121 179.0931 51 A 4.2221 7.9827 121.0862 55.3313 18.4896 179.2522 52 E 3.8943 8.6046 117.4002 59.8265 29.6120 179.5112 53 Q 3.9381 8.2271 119.2590 59.1569 29.0994 178.1419 54 F 3.9179 8.2715 121.5556 61.1941 39.3567 177.0455 55 I 3.4603 7.9747 119.8296 64.3541 37.0454 178.3292 56 Q 3.8950 8.1394 118.2252 59.2695 28.3480 178.5637 57 A 3.8908 7.8488 122.6667 55.1448 18.3884 179.8010 58 T 3.6382 7.4111 114.2636 66.5034 68.3376 176.9510 59 R 3.7325 7.8125 120.7325 59.1224 30.0419 178.2496 60 L 3.8999 7.6921 119.8089 58.3805 42.0804 178.6995 61 N 4.2699 7.9949 116.1989 55.9274 38.3417 177.2035 62 W 4.1474 8.0421 130.9651 60.2088 30.6758 178.6211 63 V 3.8543 8.0386 110.8692 63.9349 31.0570 177.8798 64 K 4.1998 8.1397 115.7157 55.7446 32.1651 176.7868 65 A 3.5877 7.5729 120.4998 52.3276 16.6480 178.3661 66 E 4.2647 8.0821 120.3457 59.8899 30.3167 176.6558 67 A 4.4224 6.7817 117.2428 51.1778 22.3861 175.3079 68 Y 4.3707 8.7903 117.4691 56.1739 40.8833 174.8730 69 G 4.1790 8.8457 112.2752 44.7399 0.0000 171.0850 70 F 5.1258 9.3271 126.8470 55.7433 40.1689 176.7565 71 G 3.6310 9.2925 112.1437 46.2563 0.0000 172.4596 72 V 4.5690 8.3852 123.9864 61.0761 33.4047 174.3021 73 F 5.1892 9.0239 127.6193 55.2845 41.8980 174.8454 74 E 4.1336 8.9172 125.1605 56.3195 29.9043 177.7488 75 R 3.8606 8.9040 127.2929 59.7896 30.2384 178.5888 76 Q 4.0937 8.2894 116.9032 59.0672 28.8772 177.4373 77 T 4.1784 7.8671 104.8740 61.5521 69.5964 174.9048 78 Q 3.6958 8.2134 120.0349 56.9337 27.0378 173.2726 79 T 4.4229 7.5688 108.0006 61.0829 70.5418 173.4951 80 L 3.9947 8.5492 126.8076 55.1462 42.4694 176.5951 81 V 3.8532 9.7368 119.0411 59.2902 33.5277 176.9731 82 G 3.9074 7.4591 108.9990 45.5330 0.0000 173.4706 *84 V 4.4502 7.7295 117.4556 61.1163 33.1993 173.6329 85 A 5.3673 9.2604 124.9318 50.4875 23.3783 175.3020 86 I 4.3546 8.7644 121.9658 60.5936 37.5658 176.6300 87 N 4.5047 9.3584 126.6351 55.7491 39.4650 175.8886 88 E 4.4246 7.4711 118.1419 54.7186 33.2591 174.0189 89 F 4.4226 8.3932 125.2305 56.6871 40.5864 175.7930 90 Y 4.8879 8.1672 120.1088 55.9147 38.4631 175.6856 91 H 4.3028 8.4255 121.3251 58.8910 29.4603 178.0954 92 T 3.6695 7.8694 114.9432 65.8100 68.1989 174.7058 93 F 4.8329 7.7357 117.0479 56.2428 40.1409 175.1046 94 N 3.9589 7.9029 118.5986 54.4908 37.1640 172.0918 *96 A 4.4045 7.1932 121.6324 51.8837 21.5381 176.0755 97 S 5.1974 8.6255 114.0798 56.8356 64.1936 173.0670 98 L 5.3014 9.1461 127.2937 53.2176 44.5186 175.7066 99 G 4.3436 8.8755 107.9225 45.3220 0.0000 170.5829 100 Y 5.1334 7.6511 116.0361 56.3201 40.2724 173.4986 101 W 5.3784 7.8516 116.1738 55.6714 31.5581 173.6344 102 I 4.8109 8.6972 123.6330 59.0173 40.5435 175.4918 103 G 4.0097 9.2718 114.1458 45.6479 0.0000 173.9231 104 D 4.4641 9.1875 124.5271 57.6337 41.2480 180.0791 105 R 3.8863 7.7922 115.2261 58.7688 29.6028 177.7094 106 Y 3.9824 7.6945 117.1907 59.8013 38.2537 177.6387 107 Q 4.0263 8.1267 118.8720 59.0706 28.6519 178.5674 108 R 3.7697 7.3137 117.2818 59.3520 30.0710 176.9234 109 Q 4.0617 7.1322 113.1119 55.5373 29.0335 176.5121 110 G 3.9625 8.3525 107.2137 46.4901 0.0000 175.4273 111 Y 4.5127 7.9405 119.7578 60.8056 37.6046 178.7321 112 G 3.5707 8.1473 106.3638 47.6613 0.0000 175.5726 113 K 3.8450 7.9209 121.7608 58.9616 32.3207 178.4522 114 E 3.8435 8.2790 119.4539 59.1631 29.6746 178.6996 115 A 3.8050 8.2395 121.2003 55.1366 18.3996 179.4505 116 L 3.7862 7.9784 119.0926 58.4213 42.0036 179.2467 117 T 3.7639 8.0883 115.7790 66.3634 68.2798 176.3618 118 A 3.9246 7.8423 122.7462 55.1301 18.3207 179.5180 119 L 3.7878 7.6228 118.6145 58.1509 42.1520 179.1679 120 I 3.4057 7.8791 120.0345 64.3367 37.0466 178.4009 121 L 4.0643 8.2054 120.1409 57.6472 41.4281 179.2659 122 F 4.2235 8.4255 120.6980 61.6559 39.3548 176.9747 123 C 3.8990 8.2309 116.2692 62.6810 27.7657 176.1312 124 F 4.8168 8.1471 119.1447 60.3726 38.5184 178.0548 125 E 3.9447 8.5448 117.3924 59.2732 29.5097 178.3596 126 R 4.0554 7.5744 116.7375 58.8966 30.4838 177.3602 127 L 3.9625 7.3820 114.9914 54.9610 41.8698 176.8587 128 E 4.2723 7.9991 115.8064 56.3008 26.9208 174.6831 129 L 4.5403 7.9780 117.6889 55.3261 42.2102 177.3041 130 T 4.5859 8.4166 110.3667 61.4901 69.6524 173.8907 131 R 5.0593 7.9131 120.3277 55.7389 33.1862 173.7004 132 L 5.1944 9.3593 125.3358 53.0564 45.8492 175.0930 133 E 5.2476 9.2328 122.0625 54.7627 32.5283 174.8729 134 I 4.9756 8.9873 124.9465 59.5620 40.0391 174.6097 135 V 4.8741 8.4282 126.3421 61.4522 33.2119 174.2783 136 C 4.6073 9.0381 125.9569 57.4117 31.3350 173.1830 137 D 4.6557 8.0202 121.8086 53.6810 41.3117 175.5544 138 P 4.2744 0.0000 0.0000 65.2130 31.4602 176.8280 139 E 4.4002 8.6061 115.8912 56.5880 29.9976 176.5949 140 N 4.2158 7.4038 120.0316 51.4927 37.6004 175.0658 141 V 3.5637 7.8209 122.3673 65.0154 32.0757 175.0776 142 P 4.2311 0.0000 0.0000 65.6742 31.1513 178.6800 143 S 4.2704 7.7566 112.5691 61.3395 63.0412 176.4846 144 Q 3.5444 7.7566 121.5776 58.6110 28.4299 178.4106 145 A 3.9415 8.2153 122.1477 55.0636 18.3775 179.4917 146 L 3.7456 7.9933 118.5708 57.9937 42.1613 178.8959 147 A 3.7440 7.6270 120.6651 55.2506 18.2250 179.6527 148 L 3.9456 7.7536 117.3945 57.9117 41.4343 179.7513 149 R 3.9045 7.8953 117.9965 59.2055 30.0328 177.3874 150 C 4.4828 7.7743 114.0473 59.5189 28.2295 174.1830 151 G 3.8893 7.9800 108.7705 45.1795 0.0000 173.8433 152 A 4.5730 7.6962 120.5791 51.6371 19.5603 177.3673 153 N 5.0873 9.1660 117.4247 51.2402 41.2900 174.5358 154 R 3.6495 8.8119 124.4298 56.8934 31.0572 173.1158 155 E 4.3455 9.0374 123.4253 56.7144 31.5061 178.9411 156 Q 4.2849 9.0894 128.1177 55.8684 31.6268 173.1922 157 L 4.8575 8.3384 125.7483 54.0595 43.0380 175.3642 158 A 4.8592 8.9702 129.9070 49.1564 21.1499 173.9283 159 P 4.4806 0.0000 0.0000 63.3587 32.4363 175.6528 160 N 4.1457 8.6629 116.3406 54.3845 36.2571 175.6488 161 R 4.1996 7.8957 119.1432 58.1533 30.7661 175.6206 162 F 5.0848 7.5794 111.1113 55.3615 41.0293 172.6301 163 L 4.9548 8.5681 120.9393 53.2178 43.1866 175.6658 164 Y 4.6522 8.5542 123.7738 56.5384 40.7883 175.1803 165 A 3.6533 9.4231 132.1105 53.4376 16.3484 177.9987 166 G 3.9526 8.3829 105.8941 47.0335 0.0000 173.8195 167 E 4.7380 7.7504 119.0455 53.5659 32.1400 173.4109 168 P 5.0500 0.0000 0.0000 62.3405 33.1417 175.2890 169 K 4.6248 8.1662 119.4692 54.2527 36.9143 175.5209 170 A 4.6014 8.6921 125.1483 52.2363 18.9713 177.1940 171 G 4.5032 9.1872 109.3626 44.4012 0.0000 171.6969 172 I 4.6804 8.6509 123.2640 60.2901 38.9011 175.0565 173 V 4.6086 8.7347 128.0889 61.8499 32.8765 174.6930 174 F 5.3901 9.7221 126.9441 55.7390 42.2229 174.7089 175 S 5.4656 9.1806 115.6366 56.6769 66.6268 172.7609 176 L 5.3937 9.0588 120.5115 53.0588 45.3011 175.7002 177 I 4.9011 8.3745 115.3378 58.0566 41.0138 173.6740 178 P 3.6628 0.0000 0.0000 62.6926 31.0449 176.5042 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 T 8.03 4.53 4.36 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 1.29 0.00 0.00 3 P 0.00 3.91 0.00 2.07 1.95 0.00 3.74 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 2.03 2.19 0.00 4 D 7.88 4.62 0.00 2.74 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 5 F 8.50 4.48 0.00 3.12 3.49 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 6 Q 7.70 4.76 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 7 I 8.14 4.08 1.40 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.01 0.71 0.00 0.00 8 V 8.27 4.75 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 0.77 0.00 0.00 0.82 0.00 0.00 9 T 8.31 4.75 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 1.12 0.00 0.00 10 Q 8.83 4.07 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 11 R 8.56 4.51 0.00 1.91 1.84 0.00 3.36 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 1.59 1.59 0.00 12 L 7.61 5.17 0.00 1.37 1.29 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.16 4.67 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 14 L 8.88 5.34 0.00 1.56 1.30 0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.98 5.13 0.00 1.81 2.03 0.00 2.57 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 16 L 7.89 3.95 0.00 0.93 1.23 0.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.38 4.17 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.60 1.12 0.00 0.00 18 T 8.99 4.34 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 1.09 0.00 0.00 19 A 8.51 3.93 1.30 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 0.00 0.00 20 D 7.54 4.62 0.00 2.77 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 21 E 8.58 5.16 0.00 2.24 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 0.00 2.27 2.19 0.00 22 A 7.78 4.07 1.37 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 0.00 0.00 23 E 8.27 3.90 0.00 2.23 2.01 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 2.44 2.46 0.00 24 E 8.27 4.07 0.00 2.46 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 2.56 2.54 0.00 25 L 8.23 4.24 0.00 2.01 2.07 1.44 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.32 4.09 2.29 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 1.00 0.00 0.00 0.75 0.00 0.00 27 Q 8.46 4.06 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 28 C 8.01 4.32 0.00 3.37 3.40 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 29 I 7.83 3.83 1.97 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 -0.05 0.49 0.00 0.00 30 R 8.42 4.03 0.00 2.01 2.06 0.00 3.39 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 31 Q 8.13 4.26 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 32 S 7.49 4.57 0.00 3.93 3.83 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 33 Q 8.88 4.32 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 34 T 7.43 4.40 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 1.25 0.00 0.00 35 L 8.31 3.98 0.00 1.51 1.36 1.07 1.02 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 36 H 7.97 3.68 0.00 3.08 3.24 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 6.90 3.78 0.00 1.45 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 38 W 7.27 4.74 0.00 3.13 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 39 V 7.09 3.60 0.67 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 -0.04 0.00 0.00 -0.07 0.00 0.00 40 D 8.42 3.84 0.00 2.71 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 41 W 7.22 4.21 0.00 3.67 3.14 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 *46 F 8.26 4.63 0.00 2.91 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 47 S 7.98 4.38 0.00 4.05 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 48 Q 8.34 3.73 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 49 Q 7.91 4.05 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 50 E 7.96 4.04 0.00 2.20 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 2.42 2.65 0.00 51 A 7.98 4.22 1.37 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 0.00 0.00 52 E 8.60 3.89 0.00 2.13 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 2.34 2.47 0.00 53 Q 8.23 3.94 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 54 F 8.27 3.92 0.00 2.78 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 55 I 7.97 3.46 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 0.95 0.00 0.00 56 Q 8.14 3.90 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 57 A 7.85 3.89 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 58 T 7.41 3.64 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 1.11 0.00 0.00 59 R 7.81 3.73 0.00 1.72 1.96 0.00 2.99 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 60 L 7.69 3.90 0.00 1.91 1.80 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.99 4.27 0.00 2.89 2.77 0.00 0.00 6.73 7.64 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 79 T 7.57 4.42 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 1.30 0.00 0.00 80 L 8.55 3.99 0.00 1.46 1.59 0.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.74 3.85 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 -0.19 0.00 0.00 0.75 0.00 0.00 82 G 7.46 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 *84 V 7.73 4.45 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 0.63 0.00 0.00 0.83 0.00 0.00 85 A 9.26 5.37 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 86 I 8.76 4.35 1.87 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.08 0.00 0.00 87 N 9.36 4.50 0.00 2.67 2.91 0.00 0.00 6.77 7.70 0.00 0.00 0.00 0.00 0.00 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0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.43 7.81 114 E 8.28 3.84 0.00 2.21 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 0.00 2.24 2.29 0.00 115 A 8.24 3.80 1.23 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 0.00 116 L 7.98 3.79 0.00 1.46 1.50 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.09 3.76 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 1.19 0.00 0.00 118 A 7.84 3.92 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 0.00 119 L 7.62 3.79 0.00 1.59 1.71 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.88 3.41 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.65 0.00 0.00 121 L 8.21 4.06 0.00 1.83 1.77 0.94 1.00 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 0.00 122 F 8.43 4.22 0.00 3.09 3.27 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 0.00 123 C 8.23 3.90 0.00 2.85 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 0.00 124 F 8.15 4.82 0.00 3.08 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 0.00 125 E 8.54 3.94 0.00 2.02 2.03 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 2.56 2.51 0.00 126 R 7.57 4.06 0.00 1.75 1.72 0.00 3.36 0.00 0.00 3.65 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.52 0.00 127 L 7.38 3.96 0.00 1.73 1.60 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.00 4.27 0.00 2.10 2.03 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 2.20 2.24 0.00 129 L 7.98 4.54 0.00 1.92 1.78 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.42 4.59 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 1.20 0.00 0.00 131 R 7.91 5.06 0.00 1.90 1.92 0.00 3.22 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 1.63 1.75 0.00 132 L 9.36 5.19 0.00 1.60 1.49 0.35 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 133 E 9.23 5.25 0.00 2.01 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 2.29 2.34 0.00 134 I 8.99 4.98 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 1.01 0.00 0.00 135 V 8.43 4.87 1.99 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 0.82 0.00 0.00 1.00 0.00 0.00 136 C 9.04 4.61 0.00 3.04 2.68 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 0.00 137 D 8.02 4.66 0.00 2.54 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 0.00 0.00 0.00 138 P 0.00 4.27 0.00 2.13 2.14 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 139 E 8.61 4.40 0.00 2.40 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 0.00 2.38 2.36 0.00 140 N 7.40 4.22 0.00 1.44 1.96 0.00 0.00 6.75 7.30 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 0.00 141 V 7.82 3.56 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 1.11 0.00 0.00 0.94 0.00 0.00 142 P 0.00 4.23 0.00 2.17 2.10 0.00 3.51 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 2.15 2.16 0.00 143 S 7.76 4.27 0.00 3.84 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 0.00 144 Q 7.76 3.54 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 145 A 8.22 3.94 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 0.00 146 L 7.99 3.75 0.00 1.72 1.76 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.63 3.74 0.73 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 0.00 0.00 0.00 0.00 0.00 148 L 7.75 3.95 0.00 1.82 1.74 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.90 3.90 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 150 C 7.77 4.48 0.00 2.87 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 0.00 151 G 7.98 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 0.00 152 A 7.70 4.57 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 0.00 153 N 9.17 5.09 0.00 2.66 2.75 0.00 0.00 6.91 7.32 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 0.00 154 R 8.81 3.65 0.00 1.67 1.74 0.00 3.11 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.00 155 E 9.04 4.35 0.00 1.82 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 2.19 2.17 0.00 156 Q 9.09 4.28 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 157 L 8.34 4.86 0.00 1.64 1.55 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.97 4.86 1.22 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 0.00 159 P 0.00 4.48 0.00 2.08 2.06 0.00 3.91 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 1.99 0.00 160 N 8.66 4.15 0.00 2.84 2.89 0.00 0.00 6.92 7.66 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 0.00 161 R 7.90 4.20 0.00 2.00 2.21 0.00 3.32 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 162 F 7.58 5.08 0.00 3.26 3.11 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 0.00 163 L 8.57 4.95 0.00 1.75 1.67 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.55 4.65 0.00 3.11 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 0.00 165 A 9.42 3.65 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 0.00 166 G 8.38 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 0.00 167 E 7.75 4.74 0.00 2.14 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 2.22 2.21 0.00 168 P 0.00 5.05 0.00 1.99 1.99 0.00 3.42 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 1.93 2.09 0.00 169 K 8.17 4.62 0.00 0.79 1.39 0.00 1.64 0.00 0.00 1.08 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.18 7.81 170 A 8.69 4.60 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 0.00 171 G 9.19 4.50 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 0.00 172 I 8.65 4.68 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.36 0.00 0.00 173 V 8.73 4.61 2.01 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 0.82 0.00 0.00 0.93 0.00 0.00 174 F 9.72 5.39 0.00 2.95 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 0.00 175 S 9.18 5.47 0.00 3.92 4.05 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 0.00 176 L 9.06 5.39 0.00 1.75 1.85 0.92 0.69 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 0.00 177 I 8.37 4.90 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.96 0.00 0.00 178 P 0.00 3.66 0.00 1.71 1.42 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.53 0.00 * Residues marked with a * may have inaccurate shift predictions.