NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3535 8.1733 120.0850 56.2945 34.8917 175.3753 4 I 4.4240 7.2083 118.8812 59.8534 38.2123 173.7084 5 R 5.9852 9.6965 129.0388 54.2832 32.7413 174.5735 6 I 5.2062 8.1774 116.9061 59.3590 41.1325 174.3838 7 K 4.8134 9.6674 126.0819 55.1904 35.4556 176.0510 8 L 4.8397 8.2867 122.0239 53.9115 44.3987 175.2383 9 R 5.1157 7.5669 131.4882 56.7114 32.0058 173.5137 10 G 3.6122 8.5822 109.3134 45.2035 0.0000 170.4759 11 F 5.1120 7.9388 113.1053 59.1086 42.1541 174.6835 12 D 4.4803 8.0577 125.5937 54.7340 40.5140 176.9569 13 H 4.3615 8.7222 120.2862 56.7661 28.1909 176.8418 14 K 3.8224 7.6091 123.0234 59.8264 32.4347 177.8915 15 T 4.1114 8.0305 110.2897 63.7520 69.0987 176.6723 16 L 3.8862 7.5781 124.4858 57.1944 42.3524 178.6618 17 D 4.3059 7.7240 117.1628 57.4573 41.1617 178.0095 18 A 3.9657 8.2855 121.7289 55.2078 18.2118 179.4269 19 S 4.1430 8.2200 111.6457 61.7486 62.5392 176.6605 20 A 3.9769 8.1548 123.8965 55.1461 17.8971 179.1101 21 Q 3.8691 8.3781 118.3475 59.4413 28.8212 178.9648 22 K 3.9993 8.5259 120.8704 59.2150 32.4564 178.6794 23 I 4.4593 7.7842 120.3376 60.4249 36.8499 176.3853 24 V 4.5986 7.3651 118.8165 64.5739 38.1028 175.8027 25 E 3.9504 7.8301 116.1750 58.4159 28.8777 177.5815 26 A 4.5117 7.9811 119.7442 51.9096 20.1098 177.7790 27 A 4.5012 7.7503 117.1916 52.3094 20.1349 178.9077 28 R 4.1782 7.9112 114.9630 58.7368 30.6784 178.8373 29 R 3.9401 7.9671 116.9136 58.8370 30.0358 176.7604 30 S 4.6576 7.5571 108.8031 58.2017 64.2445 172.7608 31 G 4.1753 7.7745 109.0576 44.3278 0.0000 177.5012 32 A 3.9400 8.7836 126.1176 51.0225 19.1426 177.5920 33 Q 4.4488 8.3638 118.9407 55.7609 30.6479 174.8960 34 V 4.9231 7.9531 118.8098 61.5011 35.2424 174.4453 35 S 4.5267 8.8463 120.1339 57.3350 63.3895 173.9143 36 G 3.8381 8.5098 113.4833 42.5266 0.0000 169.6896 37 P 4.4091 0.0000 0.0000 62.7732 32.1905 175.5668 38 I 4.2278 9.2258 120.5920 59.1235 39.2083 173.5709 39 P 5.0315 0.0000 0.0000 61.4298 30.8972 175.7531 40 L 4.4903 8.2570 127.0017 54.2196 41.8786 174.8869 41 P 4.3429 0.0000 0.0000 63.7668 31.4540 175.3160 42 T 4.5638 8.1560 115.6470 62.2852 70.3081 174.3344 43 R 4.5079 8.1812 124.0373 55.0974 31.8796 175.6683 44 V 4.5943 8.3851 122.6077 61.1595 34.7759 175.3250 45 R 4.5682 8.2390 125.0243 54.6746 31.6631 174.4309 46 R 4.6760 8.3066 122.5499 54.2650 32.5364 176.0539 47 F 4.9635 7.7380 116.8734 56.1433 41.3984 173.6030 48 T 4.8234 8.7024 119.4793 62.5280 70.0486 174.0989 49 V 4.4967 8.1387 122.2889 61.5719 35.7846 174.3952 50 I 4.2094 8.5227 127.1408 60.8051 36.0303 176.3187 51 R 3.6356 8.0453 123.2550 59.4326 30.6003 177.3132 52 G 3.9727 7.8663 108.5717 45.8309 0.0000 170.6529 53 P 4.8233 0.0000 0.0000 62.1634 31.7162 175.9145 54 F 5.0918 7.8547 117.6146 58.8026 41.0902 175.0068 55 K 4.1494 8.1028 129.3932 56.1231 35.3335 176.9233 56 H 4.7196 8.3880 122.1547 54.2998 30.6926 175.8531 57 K 3.7957 7.9406 118.9123 58.8176 32.7820 177.0164 58 D 4.7015 8.0923 119.1327 52.7448 42.7342 176.0978 59 S 3.8684 8.7494 110.5447 59.0523 62.0622 173.9034 60 R 4.2490 7.1681 116.7817 57.1889 29.7635 174.6705 61 E 4.5879 9.6469 117.8946 55.8394 33.2454 174.8139 62 H 5.1195 8.7027 121.9834 53.8226 31.9014 172.7756 63 F 5.1596 8.4456 118.4965 55.6312 42.7209 173.5887 64 E 4.9296 8.3917 115.9925 53.6248 32.6128 176.0077 65 L 4.5416 7.7537 120.5615 53.3785 42.4423 173.7067 66 R 4.0322 7.9894 118.2222 56.8947 31.4139 177.5290 67 T 4.8555 8.6129 122.9234 62.3882 68.8336 173.4325 68 H 4.5851 8.7012 123.3235 55.6350 30.1851 173.9875 69 N 5.5948 8.5694 118.6863 51.8867 42.1514 173.8822 70 R 4.6878 8.4363 119.0344 55.4397 34.1520 173.4701 71 L 4.9920 9.0281 128.2934 53.7384 45.2271 174.9867 72 V 4.7699 7.9332 120.9925 62.4198 35.7028 171.9721 73 D 5.0208 8.5968 124.6996 52.9893 44.9555 174.7078 74 I 4.3923 7.9795 117.5079 59.9446 38.7884 176.6898 75 I 3.5770 8.1020 118.4714 63.1999 37.8440 175.2473 76 N 4.8598 7.7689 119.5287 49.9510 40.5330 173.1089 77 P 4.5210 0.0000 0.0000 62.2465 30.2643 175.0807 78 N 4.6903 8.1891 123.4537 53.0430 39.6049 177.0289 79 R 4.0268 8.4572 120.3701 59.0596 30.1832 178.7025 80 K 3.9805 8.1175 120.0321 59.2183 32.2810 178.1523 81 T 3.9089 7.9490 109.1641 65.4006 68.4989 175.6305 82 I 3.5929 7.4116 122.6823 63.9493 37.1094 177.2369 83 E 3.8995 7.8483 119.5654 60.2409 29.4289 178.2751 84 Q 4.0222 8.3925 116.8298 58.4853 28.2364 178.8562 85 L 3.6741 8.0713 122.2559 58.8601 42.5133 177.7520 86 M 4.0317 8.0964 120.8073 58.5215 32.4589 177.7092 87 T 4.3462 7.5729 105.5494 61.5915 70.5153 174.4568 88 L 4.2979 8.0666 126.7817 54.3557 41.1140 178.2609 89 D 4.5800 7.6118 119.1425 53.7627 40.5872 177.1029 90 L 4.6883 7.9739 129.1996 52.9184 42.1393 175.8886 91 P 4.6488 0.0000 0.0000 61.2702 32.0410 175.7168 92 T 3.9459 8.6823 118.4819 64.6882 67.3341 175.3816 93 G 4.1090 7.7599 105.8726 45.0265 0.0000 172.0914 94 V 4.1632 7.6311 119.3770 61.5641 33.5412 174.5586 95 E 4.8518 8.3138 122.8710 54.4181 33.1440 173.6839 96 I 5.6385 8.2176 118.6145 58.2117 40.6117 174.0919 97 E 4.8341 8.8210 124.3232 54.5846 32.6897 174.8095 98 I 5.0943 8.2585 122.7780 59.9282 40.8425 174.9577 99 K 4.6022 9.4989 125.1752 56.2385 36.7730 175.7740 100 T 5.6041 8.2840 109.5615 62.0567 69.2039 174.5842 *101 V 3.9054 7.9105 126.1535 61.7044 32.3498 175.4054 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 3 K 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.71 7.81 4 I 7.21 4.42 1.87 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 1.11 0.98 0.93 0.00 0.00 5 R 9.70 5.99 0.00 1.77 1.76 0.00 3.08 0.00 0.00 3.41 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 6 I 8.18 5.21 1.87 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 1.22 1.00 0.91 0.00 0.00 7 K 9.67 4.81 0.00 1.64 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.53 7.81 8 L 8.29 4.84 0.00 1.73 1.54 1.00 0.93 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 9 R 7.57 5.12 0.00 1.60 1.65 0.00 3.07 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.00 10 G 8.58 3.61 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 0.00 0.00 0.00 11 F 7.94 5.11 0.00 3.04 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 12 D 8.06 4.48 0.00 2.79 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 13 H 8.72 4.36 0.00 3.22 2.91 0.00 5.45 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.61 3.82 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 T 8.03 4.11 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 16 L 7.58 3.89 0.00 1.70 1.72 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.72 4.31 0.00 3.15 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 18 A 8.29 3.97 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 19 S 8.22 4.14 0.00 4.05 4.16 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 20 A 8.15 3.98 1.43 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 0.00 0.00 21 Q 8.38 3.87 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 22 K 8.53 4.00 0.00 1.88 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.63 7.81 23 I 7.78 4.46 1.96 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 0.86 0.91 0.00 0.00 24 V 7.37 4.60 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 0.95 0.00 0.00 0.93 0.00 0.00 25 E 7.83 3.95 0.00 2.04 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 0.00 2.35 2.43 0.00 26 A 7.98 4.51 1.34 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 0.00 0.00 0.00 27 A 7.75 4.50 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 28 R 7.91 4.18 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 29 R 7.97 3.94 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 30 S 7.56 4.66 0.00 4.17 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 31 G 7.77 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 32 A 8.78 3.94 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 33 Q 8.36 4.45 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 34 V 7.95 4.92 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 0.83 0.00 0.00 0.93 0.00 0.00 35 S 8.85 4.53 0.00 3.92 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 36 G 8.51 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.41 0.00 1.95 2.09 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 38 I 9.23 4.23 1.87 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 1.47 0.95 1.00 0.00 0.00 39 P 0.00 5.03 0.00 2.11 2.16 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 40 L 8.26 4.49 0.00 1.68 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.34 0.00 2.19 2.12 0.00 3.75 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 2.00 2.01 0.00 42 T 8.16 4.56 4.19 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 1.13 0.00 0.00 43 R 8.18 4.51 0.00 1.84 1.86 0.00 3.23 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 44 V 8.39 4.59 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 0.75 0.00 0.00 0.89 0.00 0.00 45 R 8.24 4.57 0.00 1.99 1.99 0.00 3.50 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 46 R 8.31 4.68 0.00 1.59 1.67 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 47 F 7.74 4.96 0.00 3.19 3.21 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 48 T 8.70 4.82 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 1.06 0.00 0.00 49 V 8.14 4.50 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 0.99 0.00 0.00 1.06 0.00 0.00 50 I 8.52 4.21 1.89 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 1.42 0.93 0.93 0.00 0.00 51 R 8.05 3.64 0.00 1.80 1.93 0.00 3.26 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 52 G 7.87 3.97 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 0.00 53 P 0.00 4.82 0.00 2.23 2.19 0.00 3.81 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 2.02 1.97 0.00 54 F 7.85 5.09 0.00 2.81 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 K 8.10 4.15 0.00 1.09 1.31 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.35 7.81 56 H 8.39 4.72 0.00 3.14 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.94 3.80 0.00 1.70 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 58 D 8.09 4.70 0.00 2.71 2.58 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 59 S 8.75 3.87 0.00 4.06 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 60 R 7.17 4.25 0.00 2.11 2.00 0.00 3.01 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 61 E 9.65 4.59 0.00 1.93 1.65 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 1.56 2.00 0.00 62 H 8.70 5.12 0.00 2.99 3.14 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.45 5.16 0.00 2.76 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 64 E 8.39 4.93 0.00 1.78 1.72 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 2.11 2.05 0.00 65 L 7.75 4.54 0.00 1.78 1.68 0.49 1.02 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 66 R 7.99 4.03 0.00 1.75 1.74 0.00 3.25 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 67 T 8.61 4.86 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 1.27 0.00 0.00 68 H 8.70 4.59 0.00 3.21 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.57 5.59 0.00 2.57 2.69 0.00 0.00 6.73 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 70 R 8.44 4.69 0.00 1.91 1.73 0.00 3.04 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 71 L 9.03 4.99 0.00 1.72 1.46 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.93 4.77 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 73 D 8.60 5.02 0.00 2.56 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 0.00 0.00 0.00 0.00 74 I 7.98 4.39 1.87 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 1.35 1.11 0.91 0.00 0.00 75 I 8.10 3.58 1.87 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 1.46 0.59 0.91 0.00 0.00 76 N 7.77 4.86 0.00 2.65 2.72 0.00 0.00 6.99 7.69 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 77 P 0.00 4.52 0.00 2.22 2.08 0.00 3.81 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 1.98 0.00 78 N 8.19 4.69 0.00 2.85 2.76 0.00 0.00 7.03 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 79 R 8.46 4.03 0.00 1.78 1.99 0.00 3.38 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 8.12 3.98 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.57 7.81 81 T 7.95 3.91 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 1.27 0.00 0.00 82 I 7.41 3.59 2.05 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 1.71 1.14 0.91 0.00 0.00 83 E 7.85 3.90 0.00 2.01 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 2.31 2.38 0.00 84 Q 8.39 4.02 0.00 2.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 85 L 8.07 3.67 0.00 1.61 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.10 4.03 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 87 T 7.57 4.35 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 1.22 0.00 0.00 88 L 8.07 4.30 0.00 1.67 1.66 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.61 4.58 0.00 2.70 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 90 L 7.97 4.69 0.00 1.51 1.53 0.92 0.98 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 91 P 0.00 4.65 0.00 2.35 2.05 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.68 3.95 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 93 G 7.76 4.11 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 0.00 94 V 7.63 4.16 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 0.81 0.00 0.00 0.91 0.00 0.00 95 E 8.31 4.85 0.00 1.99 1.62 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 2.21 2.32 0.00 96 I 8.22 5.64 1.89 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 1.34 0.93 0.95 0.00 0.00 97 E 8.82 4.83 0.00 1.87 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 2.27 2.23 0.00 98 I 8.26 5.09 1.87 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 1.34 0.47 0.99 0.00 0.00 99 K 9.50 4.60 0.00 1.52 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.52 7.81 100 T 8.28 5.60 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 *101 V 7.91 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.