NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3049 8.2649 123.5798 51.3941 19.9387 176.4622 1 K 4.0448 8.2984 119.1548 55.5711 33.2411 175.5913 2 K 4.1481 9.1645 123.9911 56.7604 33.3750 176.3808 3 K 4.8055 8.7611 124.9230 56.5187 32.9861 176.7670 4 V 4.8306 8.6592 116.2031 58.5359 36.3637 174.4606 5 L 4.9349 8.3226 121.6114 53.5294 44.3591 175.4334 6 I 4.7146 8.0096 122.8499 59.8559 39.6741 174.1437 7 Y 4.5418 9.4002 130.0651 59.5879 39.9435 174.0763 8 G 4.4866 9.2441 116.9879 45.9999 0.0000 173.3190 9 A 4.0436 9.1903 133.2493 51.1655 20.0186 177.3817 10 G 3.9715 7.5683 109.8607 45.3560 0.0000 173.3765 11 S 4.0260 8.5673 113.0245 61.4218 62.4515 177.1056 12 A 4.0988 8.0227 123.0056 55.1992 18.1351 179.6366 13 G 4.2110 7.9424 105.0037 47.5675 0.0000 175.7494 14 L 4.1092 7.9105 121.5772 57.6164 41.4009 179.6291 15 Q 4.0448 8.0057 117.0200 58.7299 28.6956 178.2355 16 L 4.1209 8.2249 120.6533 58.1723 42.3841 178.5381 17 A 4.1956 8.4827 121.0182 55.1069 18.0039 179.3923 18 N 4.4683 8.0835 111.2822 54.9942 38.8032 176.2654 *20 L 4.3653 7.8283 120.5854 54.5974 43.7880 179.1793 21 R 3.9941 8.2562 116.7026 59.4966 30.1054 178.2807 22 Q 4.0763 7.7986 115.5457 58.2965 28.9280 176.7149 23 G 3.9783 7.5500 106.0599 44.7969 0.0000 173.4890 24 K 4.4748 8.4761 117.3655 56.1322 33.1048 176.0786 25 E 4.2184 8.1451 120.7067 57.1901 31.3664 175.4851 26 F 5.4196 7.9806 115.1817 55.7959 42.9764 174.1212 27 H 4.8372 9.3357 122.2020 53.7498 31.9073 171.4176 28 P 4.6291 0.0000 0.0000 62.6516 30.8832 176.3780 29 I 4.0032 8.5613 119.9166 62.9937 38.9231 175.5633 30 A 4.4391 7.3369 121.5548 51.2753 22.6185 175.0065 31 F 5.2414 8.9925 117.9627 56.1007 42.0743 175.3093 32 I 4.9372 8.4926 121.9167 59.8602 39.9822 174.3402 33 D 4.8354 8.6673 124.1771 53.1152 44.4470 176.0173 34 D 4.3480 8.9991 124.8319 56.4162 41.4033 175.9606 35 D 4.5048 8.8076 120.2285 53.3966 40.8695 176.6037 36 R 3.9593 8.6965 127.3996 59.2978 30.2790 179.5030 37 K 4.0705 8.0972 116.1860 58.6609 32.2597 177.9223 38 K 4.1704 8.0040 117.1679 56.5448 32.5497 176.0557 39 H 4.1153 7.6499 119.7213 57.5084 29.8762 174.7204 40 K 3.3928 8.5337 125.1839 57.2363 30.1062 175.7971 41 T 4.2752 7.5237 109.6376 60.9691 70.1483 173.7247 42 T 5.3718 7.7167 117.5129 61.3426 70.8458 174.2704 *44 Q 4.1202 8.2623 118.7269 56.0719 30.0077 177.4339 45 G 4.0468 8.7218 104.5680 45.6672 0.0000 173.6173 46 I 4.7124 7.1917 112.0703 59.0065 41.0300 174.1945 47 T 4.5633 8.1483 116.7531 62.9476 70.2370 173.9068 48 I 4.9264 8.2538 125.8384 59.9861 39.6739 174.4269 49 Y 4.9425 8.7019 122.9553 55.7368 42.2398 175.7005 50 R 4.6275 9.0983 120.4393 55.0851 31.0253 176.2436 51 P 4.3930 0.0000 0.0000 65.4099 30.9506 178.6017 52 K 4.0624 8.2030 117.6838 59.6940 32.6826 177.4584 53 Y 4.1423 8.2775 116.6727 58.1676 37.9849 177.0001 54 L 3.9681 7.9309 121.7751 58.0565 41.8742 178.9795 55 E 3.9498 8.1060 118.6197 59.2817 29.6426 178.8743 56 R 3.9117 7.8348 115.7029 59.1842 29.5324 178.7106 57 L 4.0021 7.9602 119.7526 57.4399 41.6018 179.2759 58 I 3.7377 7.8707 119.8198 64.4799 37.0128 178.6984 59 K 3.9890 8.1606 119.2443 59.1062 31.6617 179.3851 60 K 3.9795 8.1058 119.2994 59.1902 32.2322 177.6740 61 H 4.6869 8.0180 112.6656 54.3611 29.9976 174.3048 62 C 4.1111 7.5052 116.3146 60.7038 26.0242 173.6255 63 I 4.1985 7.9710 119.4889 60.8984 38.0043 176.6474 64 S 4.8426 8.6812 117.8125 58.3441 64.6095 173.3282 65 T 5.0867 7.7136 117.2003 62.2893 72.9094 172.6725 66 V 4.5738 8.9238 125.9381 61.0271 34.9911 173.8991 67 L 4.9819 8.7767 127.5946 53.0371 44.0839 175.0516 68 L 4.8095 9.1843 126.5050 53.2843 43.4883 175.5342 69 A 5.0952 9.0244 129.7610 49.5942 18.4705 176.2133 70 V 4.8306 7.0391 117.2464 59.0296 32.9163 176.1468 71 P 4.2917 0.0000 0.0000 65.2018 31.7714 177.7069 72 S 4.5498 7.8938 110.7524 57.6472 63.4293 174.0060 73 A 4.1813 7.7169 124.5262 51.8476 18.8744 178.4665 74 S 4.3819 8.3155 115.5495 58.1203 65.1777 175.4205 75 Q 3.9383 8.4696 122.4793 59.1817 28.8776 178.1803 76 V 3.5552 7.7236 118.9031 66.1213 31.6220 177.6888 77 Q 3.9597 8.2084 119.2646 59.0091 28.8880 178.0000 78 K 3.8908 8.1174 120.7972 59.0396 32.0691 178.8185 79 K 3.8524 8.0128 120.1021 59.4559 32.1924 178.7218 80 V 3.5488 7.5097 118.0230 66.2089 31.3423 178.0118 81 I 3.4817 7.6693 119.0948 64.4598 36.9037 178.5072 82 I 3.6228 7.7040 120.5485 64.4462 36.7820 178.3743 83 E 3.9717 8.4795 119.9715 59.3707 29.0140 179.6085 84 S 4.1493 7.7440 113.6355 61.3150 63.4051 176.2269 85 L 4.1698 7.8783 122.3583 57.2255 41.5688 179.0099 86 A 3.9872 8.1471 120.9192 55.1772 18.0754 179.8398 87 K 3.9450 7.6741 115.9688 58.7421 32.0925 178.4586 88 L 4.3798 7.5906 117.2066 53.4023 42.8533 176.1357 89 H 4.0802 7.5822 114.8657 57.5055 26.6112 174.4457 90 V 4.6234 7.1401 109.8021 59.0752 35.6039 177.1568 91 E 4.1389 9.0020 124.5995 56.3205 31.0957 175.6339 92 V 4.7969 8.4055 125.6129 61.2226 34.2889 173.9677 93 L 5.2124 8.5627 127.7592 53.2695 44.7961 175.4249 94 T 5.1204 9.0798 116.5360 60.0460 70.8491 173.5719 95 I 4.3589 8.1595 121.3239 59.6064 39.0058 173.5842 96 P 4.4782 0.0000 0.0000 62.0122 31.9621 176.8155 97 N 4.5674 8.3817 116.9434 52.8922 40.3451 176.2048 98 L 3.9372 8.4005 123.7596 58.5265 42.2429 178.9657 99 D 4.3848 8.0793 118.5357 56.7617 39.2519 178.1594 100 D 4.4219 8.0354 119.6076 56.6424 40.8298 178.6659 101 L 3.9608 7.7835 119.8000 58.0543 41.5785 179.9242 102 V 3.6871 7.9332 111.1615 64.3408 31.6044 177.2681 103 N 4.4698 8.1900 114.9406 53.3934 38.5029 175.5795 104 G 3.9134 7.8730 106.5620 46.3349 0.0000 174.6259 105 K 4.4126 7.8307 116.5590 56.4595 33.2648 176.4043 106 L 4.8036 7.2945 118.6136 53.2844 45.8852 175.6260 107 S 4.3679 9.1938 117.5370 57.8229 63.1049 175.0469 108 I 3.7017 8.5559 126.8147 64.6768 36.8809 177.4888 109 G 3.7418 8.0063 106.1526 46.5375 0.0000 173.7768 110 Q 4.3438 7.7553 119.9395 55.1335 28.2256 175.1264 111 L 4.8426 8.3099 123.7902 53.4330 43.4811 176.2048 112 K 4.6948 8.7953 122.8085 54.3050 36.0697 175.1103 113 E 4.5181 8.8176 126.7541 56.3164 30.3374 176.8430 114 V 4.2225 8.2755 119.5635 61.4105 32.6094 175.4642 115 S 4.8049 9.1038 117.5275 55.5738 66.4248 174.9040 116 I 3.6376 8.4518 120.3809 64.9955 36.5028 177.9877 117 D 4.4107 8.1967 118.8072 57.8080 40.3858 178.6987 118 D 4.4067 8.0783 118.5149 56.9207 40.8425 178.6927 119 L 4.1048 7.5584 118.4356 57.7848 41.9606 179.0229 120 L 4.1100 7.6940 117.4009 58.0195 41.8886 177.4390 121 G 4.0036 7.7433 110.5782 45.6657 0.0000 173.0228 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 0 A 8.26 4.30 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 1 K 8.30 4.04 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 2 K 9.16 4.15 0.00 1.94 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 K 8.76 4.81 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.53 7.81 4 V 8.66 4.83 1.90 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 0.81 0.00 0.00 0.80 0.00 0.00 5 L 8.32 4.93 0.00 1.60 1.55 0.93 0.70 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 6 I 8.01 4.71 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.64 1.19 0.00 0.00 7 Y 9.40 4.54 0.00 3.03 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 8 G 9.24 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 0.00 0.00 0.00 0.00 9 A 9.19 4.04 0.64 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 0.00 0.00 10 G 7.57 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 11 S 8.57 4.03 0.00 3.88 3.86 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 12 A 8.02 4.10 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 13 G 7.94 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 0.00 0.00 0.00 0.00 14 L 7.91 4.11 0.00 1.67 1.70 0.78 0.26 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 15 Q 8.01 4.04 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 16 L 8.22 4.12 0.00 1.73 1.98 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.48 4.20 1.48 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 0.00 0.00 18 N 8.08 4.47 0.00 3.07 3.01 0.00 0.00 7.21 5.98 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 *20 L 7.83 4.37 0.00 1.82 1.86 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.26 3.99 0.00 2.07 2.03 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 22 Q 7.80 4.08 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 23 G 7.55 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 0.00 0.00 0.00 24 K 8.48 4.47 0.00 1.68 1.76 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.36 7.81 25 E 8.15 4.22 0.00 1.77 1.53 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 1.47 1.70 0.00 26 F 7.98 5.42 0.00 2.95 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 27 H 9.34 4.84 0.00 3.19 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.63 0.00 1.72 1.72 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 29 I 8.56 4.00 1.75 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.29 0.96 0.00 0.00 30 A 7.34 4.44 1.41 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 0.00 0.00 31 F 8.99 5.24 0.00 2.98 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 32 I 8.49 4.94 1.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.99 0.25 0.00 0.00 33 D 8.67 4.84 0.00 2.67 2.37 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 34 D 9.00 4.35 0.00 2.77 2.77 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 0.00 0.00 0.00 35 D 8.81 4.50 0.00 2.66 2.62 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 0.00 0.00 0.00 36 R 8.70 3.96 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 37 K 8.10 4.07 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 38 K 8.00 4.17 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.30 7.81 39 H 7.65 4.12 0.00 3.08 3.30 0.00 6.08 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.53 3.39 0.00 1.62 1.68 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 0.75 7.81 41 T 7.52 4.28 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 42 T 7.72 5.37 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 1.26 0.00 0.00 *44 Q 8.26 4.12 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 45 G 8.72 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 0.00 0.00 0.00 46 I 7.19 4.71 1.95 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.90 0.00 0.00 47 T 8.15 4.56 4.06 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 0.00 0.00 0.33 0.00 0.00 48 I 8.25 4.93 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.85 0.00 0.00 49 Y 8.70 4.94 0.00 2.75 2.49 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 50 R 9.10 4.63 0.00 1.86 1.88 0.00 3.56 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 51 P 0.00 4.39 0.00 2.36 2.47 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 52 K 8.20 4.06 0.00 1.94 2.05 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.63 1.80 7.81 53 Y 8.28 4.14 0.00 3.09 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 54 L 7.93 3.97 0.00 1.92 1.77 1.13 0.74 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 55 E 8.11 3.95 0.00 2.02 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 2.35 2.36 0.00 56 R 7.83 3.91 0.00 1.97 2.04 0.00 2.42 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 57 L 7.96 4.00 0.00 1.71 1.75 0.59 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.87 3.74 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 1.01 0.00 0.00 59 K 8.16 3.99 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 60 K 8.11 3.98 0.00 1.77 1.70 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 1.37 7.81 61 H 8.02 4.69 0.00 3.30 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 7.51 4.11 0.00 3.16 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 63 I 7.97 4.20 1.89 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 1.53 0.53 0.99 0.00 0.00 64 S 8.68 4.84 0.00 3.89 4.07 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 0.00 0.00 0.00 65 T 7.71 5.09 4.26 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 1.08 0.00 0.00 66 V 8.92 4.57 2.11 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 1.09 0.00 0.00 0.96 0.00 0.00 67 L 8.78 4.98 0.00 1.53 1.45 0.53 0.13 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 68 L 9.18 4.81 0.00 1.68 1.60 0.73 0.87 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 69 A 9.02 5.10 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 70 V 7.04 4.83 2.11 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 0.97 0.00 0.00 0.89 0.00 0.00 71 P 0.00 4.29 0.00 2.18 2.19 0.00 3.82 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 1.99 1.96 0.00 72 S 7.89 4.55 0.00 3.99 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 73 A 7.72 4.18 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 74 S 8.32 4.38 0.00 4.05 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 75 Q 8.47 3.94 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 76 V 7.72 3.56 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 0.97 0.00 0.00 0.92 0.00 0.00 77 Q 8.21 3.96 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 78 K 8.12 3.89 0.00 1.94 1.75 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 79 K 8.01 3.85 0.00 2.06 1.96 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.42 7.81 80 V 7.51 3.55 2.22 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 0.97 0.00 0.00 0.96 0.00 0.00 81 I 7.67 3.48 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 -0.09 0.00 0.00 82 I 7.70 3.62 1.81 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 1.45 0.59 0.87 0.00 0.00 83 E 8.48 3.97 0.00 2.16 1.98 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 2.31 2.39 0.00 84 S 7.74 4.15 0.00 4.08 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 85 L 7.88 4.17 0.00 1.86 1.75 0.86 0.81 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 86 A 8.15 3.99 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 87 K 7.67 3.94 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 88 L 7.59 4.38 0.00 1.75 1.70 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 89 H 7.58 4.08 0.00 3.29 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.14 4.62 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 91 E 9.00 4.14 0.00 2.07 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 2.32 2.28 0.00 92 V 8.41 4.80 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 0.93 0.00 0.00 0.92 0.00 0.00 93 L 8.56 5.21 0.00 1.56 1.51 0.95 0.44 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 94 T 9.08 5.12 4.22 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 1.28 0.00 0.00 95 I 8.16 4.36 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.99 0.00 0.00 96 P 0.00 4.48 0.00 2.07 2.04 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 97 N 8.38 4.57 0.00 2.80 2.79 0.00 0.00 6.43 6.74 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 98 L 8.40 3.94 0.00 1.97 1.66 0.92 1.08 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 99 D 8.08 4.38 0.00 2.91 2.92 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 0.00 100 D 8.04 4.42 0.00 2.87 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 0.00 101 L 7.78 3.96 0.00 1.89 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.93 3.69 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 0.70 0.00 0.00 0.98 0.00 0.00 103 N 8.19 4.47 0.00 2.82 2.86 0.00 0.00 7.03 7.79 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 0.00 104 G 7.87 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 0.00 105 K 7.83 4.41 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 106 L 7.29 4.80 0.00 1.60 1.56 0.93 0.92 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 0.00 107 S 9.19 4.37 0.00 3.85 3.86 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 0.00 108 I 8.56 3.70 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 1.00 0.00 0.00 109 G 8.01 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 0.00 0.00 0.00 110 Q 7.76 4.34 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 111 L 8.31 4.84 0.00 1.60 1.61 0.98 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 0.00 112 K 8.80 4.69 0.00 1.80 1.58 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 113 E 8.82 4.52 0.00 2.04 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 2.30 2.49 0.00 114 V 8.28 4.22 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 0.69 0.00 0.00 0.96 0.00 0.00 115 S 9.10 4.80 0.00 3.93 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 0.00 116 I 8.45 3.64 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 1.63 0.88 0.91 0.00 0.00 117 D 8.20 4.41 0.00 2.68 2.73 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 0.00 118 D 8.08 4.41 0.00 2.82 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 0.00 119 L 7.56 4.10 0.00 1.73 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.69 4.11 0.00 1.62 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.