NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4763 8.1876 120.8382 59.1043 32.1590 173.6962 11 P 4.2874 0.0000 0.0000 62.8635 32.9133 175.2430 12 L 5.0300 7.4891 122.9265 53.7783 45.2383 176.1831 13 M 4.9112 9.0559 125.3897 53.7172 36.2499 173.7899 14 V 4.8475 8.2111 124.0754 60.9304 35.0067 174.0779 15 K 5.0334 9.1198 128.0157 54.5977 35.8707 174.8181 16 V 4.8363 8.8600 126.2701 61.0773 34.6975 174.0148 17 L 5.1143 9.0432 127.5273 52.9294 45.3830 174.9244 18 D 5.2083 9.2482 122.6770 52.8251 42.1704 176.6406 19 A 4.2827 9.2401 128.7607 53.9004 18.5833 178.6989 20 V 3.8573 8.8651 115.6369 65.2008 31.8359 177.1202 21 R 4.3535 8.4870 115.5254 55.2982 31.4185 175.7341 22 G 3.8526 8.3724 105.8040 45.8673 0.0000 172.4692 23 S 4.7455 7.3568 111.5428 55.8646 67.3405 172.8141 24 P 4.5881 0.0000 0.0000 62.7634 31.8632 176.4408 25 A 4.3382 8.8455 125.5376 50.9478 19.5681 176.3335 26 I 4.2724 8.3341 122.4708 61.2256 39.0331 175.5003 27 N 4.1212 8.4851 122.5151 54.6376 37.9046 173.8121 28 V 4.1275 7.6418 116.5875 61.1890 32.9915 174.9123 29 A 4.6098 8.5794 130.0450 51.9987 19.9154 176.1053 30 V 4.8027 8.9180 121.5528 61.3948 35.2819 173.8452 31 H 5.1169 9.3789 124.7037 53.8888 32.0083 172.6802 32 V 4.8051 8.9232 123.6710 61.2469 33.6734 174.4880 33 F 5.5760 9.6027 125.6317 55.7874 43.1371 173.8455 34 R 4.7570 9.0936 121.2930 54.2906 32.8970 174.6753 35 K 4.1877 8.5742 127.1191 55.7944 32.8779 176.5483 36 A 4.3784 8.6694 130.5300 50.5171 20.1957 177.8606 37 A 4.1625 8.3989 122.4672 54.9836 18.4541 178.3815 38 D 4.5532 7.9309 113.5541 53.1610 39.5083 176.6020 39 D 4.1168 8.2190 117.5799 55.3261 39.1313 173.8622 40 T 4.1485 7.7563 110.4562 60.6959 71.0973 173.7428 41 W 5.3156 8.4223 122.5358 55.5809 30.1218 175.5905 42 E 4.8355 9.3351 124.5651 53.9337 31.2145 173.9100 43 P 4.4135 0.0000 0.0000 63.8204 31.5749 175.0530 44 F 4.7959 8.7944 123.8252 59.4485 41.6571 174.7652 45 A 4.5371 7.7016 116.9674 51.3891 22.2051 174.9622 46 S 4.6284 7.6953 113.4883 57.3846 66.3611 173.1988 47 G 3.9215 7.5098 105.6038 46.4489 0.0000 171.7085 48 K 5.3192 8.4339 118.5005 54.2631 35.0886 176.9658 49 T 4.2291 8.5908 114.7058 61.8753 70.2698 174.8011 50 S 4.6554 8.7935 118.8720 57.1993 64.9290 174.6177 51 E 3.9102 8.6724 119.0126 59.2922 29.0968 178.1794 52 S 4.3808 7.9690 111.5936 57.7216 63.4268 174.8046 53 G 3.8533 8.4119 109.4474 45.6946 0.0000 172.9349 54 E 5.0088 7.5174 117.4483 54.2019 32.7583 175.0616 55 L 4.8130 8.8324 124.1185 53.9324 44.5413 175.3357 56 H 4.7996 8.8302 123.2330 54.6389 31.2648 175.2696 57 G 3.9025 8.6953 105.7842 46.4542 0.0000 175.6783 58 L 3.8285 7.9570 121.1766 57.6300 41.6146 176.6540 59 T 4.5556 6.9585 107.0994 61.3552 70.7906 171.6740 60 T 4.8044 8.1339 111.4560 59.2229 71.7227 174.7884 61 E 4.1410 8.9436 121.5823 59.7017 29.7261 178.5580 62 E 4.1620 8.2822 118.2434 59.1968 29.9020 177.6125 63 E 4.2923 7.9914 117.4690 58.7566 30.2043 177.4650 64 F 4.9077 8.1504 122.8184 57.1139 37.7032 174.9872 65 V 3.9888 7.4045 116.6258 60.0527 32.9693 176.1591 66 E 4.0306 8.6049 120.7841 56.4243 30.1287 177.7648 67 G 3.7281 7.1963 107.3573 46.6463 0.0000 170.1280 68 I 4.8369 7.2479 120.2732 59.9807 39.0622 174.9151 69 Y 5.1044 8.7953 124.2296 55.8612 42.0065 174.4157 70 K 4.7517 9.0765 123.1226 54.5461 35.3521 174.7453 71 V 4.7854 9.2430 127.7012 61.1974 33.7740 173.5941 72 E 5.0141 9.5584 129.5218 54.4499 32.2369 174.3012 73 I 4.6516 8.9723 128.0667 59.3193 40.0773 175.6158 74 D 5.1544 8.7698 129.4106 53.5788 38.0831 176.6725 75 T 4.0104 7.6890 114.4606 64.0247 69.4768 176.7023 76 K 4.0835 8.0713 122.1651 59.7023 32.3360 178.7570 77 S 4.1635 8.2694 115.0292 61.5768 62.8418 176.0089 78 Y 3.9497 7.5866 120.9375 60.5652 38.5729 178.4083 79 W 4.3391 8.0992 119.6106 59.8329 29.1396 178.7922 80 K 4.1897 8.4166 118.2605 59.4300 31.2559 179.2045 81 A 4.0016 8.0103 119.9237 54.2209 18.3455 178.5892 82 L 4.3269 7.1357 114.5789 54.2952 41.9988 177.1236 83 G 3.8937 8.2212 107.3354 46.2753 0.0000 173.3578 84 I 4.4376 7.6697 119.6251 58.8714 39.4962 175.5027 85 S 4.3539 8.6793 120.3072 57.0287 62.3976 171.6472 86 P 4.4312 0.0000 0.0000 61.4672 32.8719 175.9101 87 F 3.9531 8.2469 122.5948 61.1710 39.4561 175.8431 88 H 4.5884 7.8148 115.4156 54.5838 29.8920 175.2755 89 E 4.0489 8.5254 121.6349 59.5219 29.6165 176.0953 90 H 4.6209 7.2306 111.2130 55.2011 31.1286 172.9146 91 A 4.1728 8.2963 119.9606 49.8775 21.3603 175.3626 92 E 5.0615 8.4503 120.6614 54.4477 33.4455 174.9715 93 V 4.5506 9.0268 125.1426 61.2982 34.9404 173.9497 94 V 5.1052 8.6700 127.7444 61.1331 33.8298 174.3584 95 F 5.1234 8.9769 121.4130 56.1507 41.6581 172.9837 96 T 4.9006 8.6757 116.8311 62.4904 69.4521 174.2198 97 A 4.5045 9.0968 128.8959 51.3944 20.0876 175.9889 98 N 5.0857 9.6784 119.2430 51.7304 42.5316 175.1728 99 D 4.6312 8.8242 122.7184 52.0821 39.7852 174.0741 *102 P 4.7523 0.0000 0.0000 62.5506 32.5699 177.4329 103 R 4.5214 8.4900 114.2673 56.3249 31.1202 175.9470 104 R 4.8449 8.1461 120.3946 54.6120 33.1378 174.2074 105 Y 4.9257 9.2419 122.1839 56.5683 40.4018 174.7094 106 T 4.9806 9.0168 121.7174 61.8473 71.3239 173.3840 107 I 4.6383 8.7344 127.9471 59.7466 39.0689 174.4227 108 A 5.2458 8.8837 129.4172 49.9486 21.7522 174.8838 109 A 5.1606 9.1169 123.6899 49.9117 22.6712 174.6140 110 L 5.1104 8.9580 123.9486 53.2405 44.7671 174.9569 111 L 5.4345 9.1326 126.5499 53.3344 44.6369 175.7890 112 S 5.1909 9.3213 118.2476 56.0270 67.3000 173.2730 113 P 3.2139 0.0000 0.0000 65.2694 31.0422 177.7755 114 Y 4.6897 7.7763 111.9706 57.2248 38.5929 174.9969 115 S 4.7921 8.1338 113.8407 57.2802 65.7367 172.4926 116 Y 5.5273 7.9578 123.0393 55.7342 41.1564 174.2182 117 S 4.8756 9.1988 115.9549 57.1882 67.3464 172.9975 118 T 5.1855 8.4678 116.0217 60.9343 70.3880 172.9724 119 T 4.8546 9.0865 123.6716 61.7094 72.9679 172.4617 120 A 5.1038 8.5849 125.4035 50.1794 21.7002 176.0481 121 V 4.2905 8.6729 121.5185 60.9739 34.5291 174.5260 122 V 4.7798 8.4348 127.2755 61.3774 33.6987 174.1714 123 T 4.7169 8.7041 117.4791 60.0025 73.3347 174.1149 124 N 4.5214 8.4676 117.6893 53.4480 38.9862 175.1119 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 10 C 8.19 4.48 0.00 2.97 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 11 P 0.00 4.29 0.00 2.43 2.67 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.14 0.00 12 L 7.49 5.03 0.00 0.67 1.15 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.06 4.91 0.00 2.00 1.77 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 2.29 2.55 0.00 14 V 8.21 4.85 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 0.77 0.00 0.00 0.89 0.00 0.00 15 K 9.12 5.03 0.00 1.74 1.52 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.86 4.84 1.89 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 0.74 0.00 0.00 0.81 0.00 0.00 17 L 9.04 5.11 0.00 1.57 1.52 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.25 5.21 0.00 2.66 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 19 A 9.24 4.28 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 20 V 8.87 3.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 21 R 8.49 4.35 0.00 1.93 2.02 0.00 3.43 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 22 G 8.37 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 0.00 0.00 0.00 23 S 7.36 4.75 0.00 3.88 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 24 P 0.00 4.59 0.00 1.93 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 25 A 8.85 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.33 4.27 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 1.49 0.77 0.98 0.00 0.00 27 N 8.49 4.12 0.00 2.87 2.91 0.00 0.00 7.08 7.50 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 28 V 7.64 4.13 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 0.70 0.00 0.00 0.56 0.00 0.00 29 A 8.58 4.61 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 30 V 8.92 4.80 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 0.97 0.00 0.00 0.92 0.00 0.00 31 H 9.38 5.12 0.00 3.13 2.67 0.00 5.83 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 32 V 8.92 4.81 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 1.29 0.00 0.00 0.97 0.00 0.00 33 F 9.60 5.58 0.00 2.89 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 34 R 9.09 4.76 0.00 1.44 1.73 0.00 2.88 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.00 35 K 8.57 4.19 0.00 1.40 1.33 0.00 1.30 0.00 0.00 1.34 0.00 0.00 2.34 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.90 0.21 7.81 36 A 8.67 4.38 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 37 A 8.40 4.16 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 38 D 7.93 4.55 0.00 2.73 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 39 D 8.22 4.12 0.00 2.66 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 40 T 7.76 4.15 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 1.20 0.00 0.00 41 W 8.42 5.32 0.00 2.97 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 42 E 9.34 4.84 0.00 2.14 2.17 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 2.52 2.47 0.00 43 P 0.00 4.41 0.00 2.03 2.08 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 44 F 8.79 4.80 0.00 3.12 3.19 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 45 A 7.70 4.54 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 46 S 7.70 4.63 0.00 3.58 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 47 G 7.51 3.92 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 0.00 0.00 0.00 48 K 8.43 5.32 0.00 1.57 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.35 7.81 49 T 8.59 4.23 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 1.16 0.00 0.00 50 S 8.79 4.66 0.00 3.99 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 51 E 8.67 3.91 0.00 1.97 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 2.31 2.24 0.00 52 S 7.97 4.38 0.00 4.01 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 53 G 8.41 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 0.00 0.00 0.00 54 E 7.52 5.01 0.00 1.95 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 2.18 2.36 0.00 55 L 8.83 4.81 0.00 1.59 1.52 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.83 4.80 0.00 3.05 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.70 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 58 L 7.96 3.83 0.00 1.56 1.71 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 T 6.96 4.56 4.31 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 1.06 0.00 0.00 60 T 8.13 4.80 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 1.21 0.00 0.00 61 E 8.94 4.14 0.00 2.05 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 2.39 2.31 0.00 62 E 8.28 4.16 0.00 1.96 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 2.33 2.44 0.00 63 E 7.99 4.29 0.00 2.13 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 2.38 2.30 0.00 64 F 8.15 4.91 0.00 3.13 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 65 V 7.40 3.99 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 0.82 0.00 0.00 0.94 0.00 0.00 66 E 8.60 4.03 0.00 1.81 1.86 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 2.33 2.42 0.00 67 G 7.20 3.73 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 0.00 68 I 7.25 4.84 1.72 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 1.29 0.62 1.09 0.00 0.00 69 Y 8.80 5.10 0.00 1.84 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 70 K 9.08 4.75 0.00 0.79 0.74 0.00 1.26 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.03 7.81 71 V 9.24 4.79 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 0.98 0.00 0.00 1.15 0.00 0.00 72 E 9.56 5.01 0.00 2.08 1.88 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 2.10 2.04 0.00 73 I 8.97 4.65 1.73 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 1.05 0.77 0.78 0.00 0.00 74 D 8.77 5.15 0.00 2.79 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 75 T 7.69 4.01 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 1.17 0.00 0.00 76 K 8.07 4.08 0.00 2.14 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.27 4.16 0.00 4.03 3.92 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 78 Y 7.59 3.95 0.00 2.93 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 79 W 8.10 4.34 0.00 3.51 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 80 K 8.42 4.19 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.69 7.81 81 A 8.01 4.00 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 82 L 7.14 4.33 0.00 1.89 1.73 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.22 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 84 I 7.67 4.44 2.26 0.00 0.00 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 1.24 0.82 0.79 0.00 0.00 85 S 8.68 4.35 0.00 3.85 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 86 P 0.00 4.43 0.00 2.28 2.14 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.28 0.00 87 F 8.25 3.95 0.00 1.81 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 88 H 7.81 4.59 0.00 3.26 3.42 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.53 4.05 0.00 1.76 1.95 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 2.18 2.16 0.00 90 H 7.23 4.62 0.00 3.14 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.30 4.17 0.36 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 92 E 8.45 5.06 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 2.16 2.16 0.00 93 V 9.03 4.55 2.20 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 1.01 0.00 0.00 1.01 0.00 0.00 94 V 8.67 5.11 2.20 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 1.10 0.00 0.00 0.95 0.00 0.00 95 F 8.98 5.12 0.00 3.14 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 96 T 8.68 4.90 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 1.34 0.00 0.00 97 A 9.10 4.50 0.82 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 98 N 9.68 5.09 0.00 2.65 2.76 0.00 0.00 6.96 8.05 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 99 D 8.82 4.63 0.00 2.80 2.65 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 *102 P 0.00 4.75 0.00 2.12 2.04 0.00 3.29 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 103 R 8.49 4.52 0.00 1.90 2.11 0.00 3.14 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 104 R 8.15 4.84 0.00 1.82 1.82 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 105 Y 9.24 4.93 0.00 2.78 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 0.00 106 T 9.02 4.98 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 1.17 0.00 0.00 107 I 8.73 4.64 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.90 0.88 0.00 0.00 108 A 8.88 5.25 1.20 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 0.00 0.00 109 A 9.12 5.16 1.19 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 0.00 0.00 110 L 8.96 5.11 0.00 1.79 1.57 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.13 5.43 0.00 1.86 2.02 0.55 0.59 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 0.00 112 S 9.32 5.19 0.00 3.79 3.71 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 0.00 113 P 0.00 3.21 0.00 2.06 1.58 0.00 3.30 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.54 0.00 114 Y 7.78 4.69 0.00 2.79 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 0.00 115 S 8.13 4.79 0.00 3.90 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 0.00 116 Y 7.96 5.53 0.00 2.98 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 0.00 117 S 9.20 4.88 0.00 3.81 3.76 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 0.00 118 T 8.47 5.19 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 119 T 9.09 4.85 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 1.21 0.00 0.00 120 A 8.58 5.10 1.14 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 0.00 121 V 8.67 4.29 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 0.87 0.00 0.00 0.91 0.00 0.00 122 V 8.43 4.78 1.95 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 0.36 0.00 0.00 0.85 0.00 0.00 123 T 8.70 4.72 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 1.16 0.00 0.00 124 N 8.47 4.52 0.00 2.73 2.71 0.00 0.00 6.88 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 * Residues marked with a * may have inaccurate shift predictions.