NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3740 8.0433 120.9944 55.9901 43.0206 178.7454 6 Q 4.1709 7.8032 118.8142 57.2697 28.7337 177.1821 7 G 3.6859 8.3494 106.7603 47.8699 0.0000 175.4419 8 V 3.7249 7.7126 121.5761 66.3963 31.5292 178.5086 9 E 4.0327 8.0167 118.2313 61.2302 29.2735 181.3506 10 L 4.2423 7.4878 117.8032 57.4499 41.6439 179.2619 11 I 3.9515 7.8691 119.5478 63.7629 37.0579 177.3689 12 A 4.4610 7.8497 119.8675 52.6869 19.8058 177.6051 13 R 4.1492 7.4873 117.5608 55.6230 30.8645 176.0288 14 D 4.5965 8.5226 123.8763 53.5069 40.2983 176.0550 15 W 4.7875 9.3231 120.0138 56.6036 29.4560 176.5444 16 I 4.1442 7.5015 121.4305 62.8790 36.6986 176.5535 17 G 4.1282 9.3329 114.8357 45.1932 0.0000 174.2618 18 L 4.5535 7.4978 122.3695 54.7087 40.4905 177.5947 *20 V 4.7503 8.0518 120.2331 62.5672 33.5509 173.3455 21 E 5.2620 9.1938 122.3102 54.7808 33.4803 174.3131 22 V 4.2116 9.2610 128.0341 63.0572 31.9334 176.4076 23 V 4.3725 8.5385 121.0565 61.6527 33.7778 176.1204 24 E 4.7114 7.4895 118.8602 54.7813 33.9218 174.3345 25 S 4.7088 8.1167 114.3635 57.0814 64.5873 174.2540 26 P 4.1901 0.0000 0.0000 64.8751 31.6041 176.2905 27 N 4.5913 7.7427 119.1496 51.4255 37.7921 174.2808 28 H 4.0215 8.3188 121.5354 58.6506 29.1278 177.4736 29 S 4.3698 7.9942 111.2391 60.1603 63.1435 174.7515 30 E 4.1899 8.5223 121.5663 57.8201 29.6524 177.2069 31 V 3.9562 7.2549 119.0404 63.1648 31.6848 176.2601 32 G 4.0164 8.7425 112.0219 45.3961 0.0000 173.8906 33 I 3.7911 7.6713 121.5244 61.4591 36.9973 175.0319 34 K 5.1020 8.8214 125.6327 53.8219 35.4109 175.9637 35 G 4.1403 7.7452 111.3910 46.1427 0.0000 170.5248 36 E 4.5774 7.8296 119.7673 54.4640 30.9383 175.9738 37 V 4.0226 8.7632 127.1448 63.5238 32.0292 176.4399 38 V 4.3309 8.7253 121.1251 61.6057 32.9283 175.1458 39 D 4.5902 7.7524 118.1193 53.7443 44.4521 173.5981 40 E 5.1671 8.6057 122.6013 55.1829 32.8613 173.8347 41 T 4.6940 8.4361 115.3516 59.3033 72.3149 173.5402 42 Q 3.9769 8.6196 121.1263 58.6242 29.1862 177.0405 43 N 4.8013 8.0034 112.6437 53.1230 40.1571 173.5972 44 T 5.1457 7.9372 108.0585 60.0726 73.2368 172.6145 45 L 4.9392 9.0267 121.8224 52.8863 45.3852 175.7150 46 K 4.8696 9.0126 123.4730 55.0387 34.0116 174.7859 47 I 5.1888 9.1979 128.5024 59.8382 41.1680 174.3274 *49 T 4.5694 8.3033 115.9333 62.2655 69.8330 173.7440 50 E 4.0560 8.7919 120.1775 58.8226 29.3526 178.3898 51 K 4.5818 7.5173 114.1359 55.5237 34.0829 176.5802 52 G 4.0752 7.4336 108.8892 45.8841 0.0000 173.2479 53 L 5.0249 8.5748 122.6392 52.9790 45.7889 175.6725 54 K 4.8813 9.2535 121.3881 54.5726 36.7854 175.4073 55 V 4.7759 8.4585 122.5203 59.9572 33.6060 175.0008 56 V 4.5471 8.9593 124.7432 60.6441 34.3408 175.0935 57 A 4.5923 8.7997 130.3908 52.2616 19.3468 177.1399 58 K 4.4387 8.6650 119.4334 58.6161 33.1034 178.4208 59 R 4.2563 7.7838 118.4726 57.7477 30.1752 177.7426 60 G 4.0371 9.0952 111.3619 45.4491 0.0000 173.5493 61 R 4.5019 7.2042 117.5273 55.4954 32.3528 175.5169 62 T 4.9005 8.2511 117.6921 61.7910 72.0280 173.1014 63 F 5.4614 9.4546 124.6675 55.8033 42.8496 174.3582 64 R 4.6684 9.0918 121.9784 54.8331 32.0137 175.5937 65 V 4.6566 7.7228 122.2713 60.7679 35.0026 174.1848 66 W 4.6290 9.1929 127.6978 55.7575 29.8848 175.3788 67 Y 4.7093 9.1741 124.7962 57.6100 41.8290 174.7987 68 K 3.5402 9.4439 127.7464 57.4630 29.4619 175.5279 69 G 3.9330 8.0548 103.5057 45.5629 0.0000 172.2300 70 K 4.6806 7.9773 118.6043 54.3916 35.5380 174.9391 71 I 4.8771 7.4900 118.8348 58.2391 40.6043 175.4798 *73 R 4.3448 8.3161 120.1035 56.3733 31.1431 175.1613 74 I 4.7832 9.1321 124.6496 59.2772 41.3696 175.0465 75 K 4.6242 8.8772 126.2128 55.9484 32.9097 178.6006 76 G 4.3557 9.5542 113.7551 48.1500 0.0000 175.3830 77 D 4.4714 8.1191 118.5727 56.7071 40.9260 177.2915 78 L 4.4968 7.8587 118.1748 55.7698 42.0566 177.4136 79 I 4.4746 7.5577 110.1385 60.3593 38.3070 176.4050 80 N 5.0117 7.1889 119.4199 50.9253 35.8231 173.4747 81 F 4.9464 7.0251 117.9216 55.3497 44.0739 175.6885 82 R 4.1595 8.4537 120.7379 55.4799 31.7230 176.1318 83 P 4.2408 0.0000 0.0000 65.8879 30.9848 178.7237 84 E 3.9448 8.1785 115.7399 59.5287 29.3808 178.5786 85 D 4.1111 7.9914 118.4454 57.1683 41.4076 178.3311 86 R 3.9961 8.2347 118.3591 58.9545 30.0456 179.2356 87 I 3.7137 7.5243 119.9962 64.2162 36.8862 178.2887 88 K 3.9647 7.3524 119.0668 59.4434 32.0668 178.8354 89 R 4.0874 7.7757 117.8612 58.9078 29.9893 178.8674 90 G 3.8902 8.2057 105.2349 46.9984 0.0000 175.2811 91 L 4.1793 7.4921 124.8223 54.7823 38.2457 176.4586 *94 L 4.2342 7.7777 124.5367 54.4983 44.4729 178.9181 95 K 3.9946 8.1122 117.7783 59.5874 32.2034 179.6059 96 R 3.8762 8.1000 117.2079 59.0975 30.0880 177.8690 97 A 4.3081 7.5331 117.1367 52.5803 17.5668 177.5613 98 K 4.3875 7.9458 115.0829 55.1339 33.9895 177.6563 99 G 3.8189 7.6866 106.0456 46.1321 0.0000 173.2995 100 V 4.4079 6.9848 116.4758 60.4567 32.8241 176.2351 101 W 4.4484 8.9144 123.0366 58.5039 28.7632 175.9879 102 I 3.6200 6.7868 123.6517 61.3492 37.0290 173.5453 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 5 L 8.04 4.37 0.00 1.86 1.92 0.93 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.80 4.17 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 7 G 8.35 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.72 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 1.11 0.00 0.00 0.96 0.00 0.00 9 E 8.02 4.03 0.00 1.96 1.96 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 2.25 2.23 0.00 10 L 7.49 4.24 0.00 1.80 1.87 0.58 -0.28 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 11 I 7.87 3.95 2.03 0.00 0.00 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 1.79 0.79 0.95 0.00 0.00 12 A 7.85 4.46 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 13 R 7.49 4.15 0.00 1.84 1.85 0.00 3.17 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 14 D 8.52 4.60 0.00 2.95 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 15 W 9.32 4.79 0.00 3.27 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 16 I 7.50 4.14 2.03 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 1.26 0.50 0.94 0.00 0.00 17 G 9.33 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 0.00 0.00 0.00 0.00 18 L 7.50 4.55 0.00 1.75 1.10 0.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *20 V 8.05 4.75 2.26 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 0.62 0.00 0.00 1.05 0.00 0.00 21 E 9.19 5.26 0.00 2.45 2.04 0.00 0.00 0.00 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 2.39 0.00 22 V 9.26 4.21 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 0.74 0.00 0.00 1.11 0.00 0.00 23 V 8.54 4.37 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 0.76 0.00 0.00 0.94 0.00 0.00 24 E 7.49 4.71 0.00 1.75 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 25 S 8.12 4.71 0.00 3.68 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 26 P 0.00 4.19 0.00 2.16 2.11 0.00 3.72 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 1.93 1.90 0.00 27 N 7.74 4.59 0.00 2.77 2.97 0.00 0.00 6.98 7.90 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 28 H 8.32 4.02 0.00 3.29 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.99 4.37 0.00 3.99 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 30 E 8.52 4.19 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 31 V 7.25 3.96 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 0.69 0.00 0.00 0.94 0.00 0.00 32 G 8.74 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.67 3.79 2.02 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 1.22 0.73 0.99 0.00 0.00 34 K 8.82 5.10 0.00 1.79 1.58 0.00 2.08 0.00 0.00 1.77 0.00 0.00 2.53 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.29 1.57 7.81 35 G 7.75 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 36 E 7.83 4.58 0.00 1.98 1.81 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 2.32 2.28 0.00 37 V 8.76 4.02 2.34 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 1.07 0.00 0.00 1.09 0.00 0.00 38 V 8.73 4.33 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 0.73 0.00 0.00 0.99 0.00 0.00 39 D 7.75 4.59 0.00 2.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 5.17 0.00 1.93 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 0.00 2.06 2.27 0.00 41 T 8.44 4.69 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 1.18 0.00 0.00 42 Q 8.62 3.98 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 43 N 8.00 4.80 0.00 2.71 2.73 0.00 0.00 6.64 7.05 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 44 T 7.94 5.15 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 45 L 9.03 4.94 0.00 1.51 1.52 0.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.01 4.87 0.00 1.69 1.72 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.39 7.81 47 I 9.20 5.19 1.92 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 0.97 1.59 0.96 0.00 0.00 *49 T 8.30 4.57 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 1.28 0.00 0.00 50 E 8.79 4.06 0.00 1.97 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 0.00 2.28 2.31 0.00 51 K 7.52 4.58 0.00 1.71 1.80 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.38 7.81 52 G 7.43 4.08 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 0.00 0.00 0.00 53 L 8.57 5.02 0.00 1.59 1.52 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.25 4.88 0.00 1.61 1.67 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.54 7.81 55 V 8.46 4.78 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 0.71 0.00 0.00 0.94 0.00 0.00 56 V 8.96 4.55 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 1.24 0.00 0.00 1.04 0.00 0.00 57 A 8.80 4.59 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 K 8.66 4.44 0.00 1.75 1.96 0.00 1.65 0.00 0.00 1.34 0.00 0.00 2.45 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.42 7.81 59 R 7.78 4.26 0.00 1.82 1.83 0.00 3.12 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 60 G 9.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.20 4.50 0.00 1.89 0.90 0.00 3.13 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 62 T 8.25 4.90 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 1.20 0.00 0.00 63 F 9.45 5.46 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.09 4.67 0.00 1.67 1.29 0.00 2.84 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 65 V 7.72 4.66 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 0.50 0.00 0.00 0.19 0.00 0.00 66 W 9.19 4.63 0.00 3.42 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 9.17 4.71 0.00 2.77 2.70 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 68 K 9.44 3.54 0.00 1.59 1.50 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.46 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.96 0.21 7.81 69 G 8.05 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 70 K 7.98 4.68 0.00 1.88 1.64 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.48 7.81 71 I 7.49 4.88 1.59 0.00 0.00 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 0.70 1.42 0.04 0.00 0.00 *73 R 8.32 4.34 0.00 1.70 1.92 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 74 I 9.13 4.78 2.28 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 1.33 0.84 1.23 0.00 0.00 75 K 8.88 4.62 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.49 7.81 76 G 9.55 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 0.00 0.00 0.00 0.00 77 D 8.12 4.47 0.00 2.70 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 78 L 7.86 4.50 0.00 1.87 1.82 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.56 4.47 1.42 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 1.00 0.33 0.79 0.00 0.00 80 N 7.19 5.01 0.00 2.65 2.63 0.00 0.00 6.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.03 4.95 0.00 2.95 3.02 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 0.00 0.00 0.00 82 R 8.45 4.16 0.00 1.85 1.86 0.00 3.31 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 83 P 0.00 4.24 0.00 2.15 2.11 0.00 3.60 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 2.11 2.14 0.00 84 E 8.18 3.94 0.00 2.18 2.21 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 2.36 2.36 0.00 85 D 7.99 4.11 0.00 2.76 2.97 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 86 R 8.23 4.00 0.00 2.03 2.23 0.00 3.40 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 87 I 7.52 3.71 2.03 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 1.41 1.39 0.90 0.00 0.00 88 K 7.35 3.96 0.00 1.68 1.86 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 89 R 7.78 4.09 0.00 1.90 1.90 0.00 2.74 0.00 0.00 2.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 90 G 8.21 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 91 L 7.49 4.18 0.00 1.78 1.71 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *94 L 7.78 4.23 0.00 1.86 1.91 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.11 3.99 0.00 1.86 2.05 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.66 7.81 96 R 8.10 3.88 0.00 1.88 1.99 0.00 3.12 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 97 A 7.53 4.31 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 98 K 7.95 4.39 0.00 1.95 1.82 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.45 7.81 99 G 7.69 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 V 6.98 4.41 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 0.74 0.00 0.00 0.97 0.00 0.00 101 W 8.91 4.45 0.00 3.61 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 0.00 102 I 6.79 3.62 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.24 -0.52 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.