NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6481 8.3649 120.5270 54.5650 41.8594 174.8767 3 V 4.2871 8.3800 117.5661 60.5285 32.8359 173.7829 4 S 4.8161 8.5973 116.2168 56.1969 66.3281 174.0105 5 L 3.9265 8.1400 122.8572 53.8139 42.0304 175.3260 6 P 4.1296 0.0000 0.0000 63.5666 31.9388 175.7478 7 C 4.4068 8.7504 121.9728 59.6200 29.3425 172.3905 8 I 4.8813 8.5279 125.0113 59.3988 39.2665 174.7979 9 K 4.5712 9.1160 129.3879 54.8614 33.9271 174.8225 10 I 5.1983 8.4721 127.8461 59.7362 39.6096 174.9315 11 Q 4.8882 8.9544 124.7960 54.1154 32.8133 174.8090 12 V 4.9026 8.0227 119.4619 60.3226 34.6726 174.3051 13 Q 4.8514 8.9917 121.2407 54.4394 32.7139 174.4135 14 T 5.2771 8.3558 110.6625 60.5231 72.7392 173.0508 15 R 4.7429 8.6961 121.4836 55.2967 34.0642 173.3751 16 Y 4.5796 9.0555 128.2626 57.9695 39.9964 175.4026 17 I 3.9090 8.3579 128.5451 59.5531 37.1342 176.0092 18 E 3.2713 8.1430 129.1540 58.6283 29.7820 178.6059 19 E 4.0749 7.9454 114.4908 58.1150 29.6204 176.8337 20 Q 4.4992 7.5545 116.5751 55.7687 29.9430 175.4457 21 S 4.5753 7.7181 115.2753 57.1451 65.9460 174.4106 22 N 4.7413 8.8858 120.2560 51.4423 39.5380 172.6461 23 P 3.5284 0.0000 0.0000 65.0028 32.1063 178.4835 24 E 3.9176 8.3908 116.1634 59.6770 29.3599 177.4827 25 Y 4.2411 8.0117 113.5449 57.3635 38.7136 175.8704 26 Q 3.3043 8.1220 117.4334 57.1852 26.9459 174.4208 27 R 4.7501 7.5233 116.6566 54.6659 33.8419 174.6928 28 F 5.1213 9.4081 125.8475 55.7937 42.3942 174.2490 29 V 4.7248 8.5025 124.6040 61.0297 33.8240 174.4706 30 F 5.4690 9.4747 125.7681 55.6861 43.0058 173.7705 31 A 5.3718 9.3565 124.3686 50.3578 21.7870 175.2014 32 Y 5.2568 8.3744 118.6438 55.0015 41.8413 174.0761 33 L 4.8874 9.2358 124.4013 53.3765 44.8018 174.9380 34 I 5.0498 8.5282 127.1907 59.7350 40.9323 174.6493 35 T 5.0120 8.6977 122.1115 61.7920 72.0621 173.0385 36 I 4.9375 9.0738 127.0039 59.7331 40.0832 174.4699 37 K 4.9393 8.8819 127.5816 54.5839 34.5164 175.3425 38 N 4.8365 9.1949 125.0218 52.5847 39.7351 174.5686 39 L 4.9799 8.7572 127.2105 54.8218 42.6139 177.0270 40 S 4.7525 8.3035 116.0994 57.1484 65.2962 174.1989 41 S 4.7126 8.5043 115.3651 58.2139 62.8753 173.0086 42 Q 4.7749 7.8248 118.2705 54.9036 32.3335 173.9114 43 T 4.5763 9.1675 115.4647 62.0084 68.2925 173.8976 44 V 4.8591 8.7489 120.4317 59.8192 36.3366 174.1340 45 Q 4.8045 8.4690 121.9605 54.8943 31.8491 173.9226 46 L 4.2121 8.4976 128.6212 54.3138 44.2013 175.4599 *48 S 4.5454 8.3552 117.6338 58.3975 65.2340 172.1537 49 R 5.2561 8.8907 115.2215 54.7767 33.2174 174.2121 50 R 4.9794 8.5721 120.5111 54.7435 33.6918 173.6313 51 W 5.2647 9.5413 126.3200 54.7794 32.6103 174.4702 52 L 5.0115 9.3535 125.5853 53.4873 43.8621 175.5577 53 I 4.5920 8.5651 127.4977 59.7807 40.2022 174.7373 54 T 5.0604 8.9566 124.4261 61.7400 71.6257 174.5472 55 D 4.9722 8.8233 126.6989 52.2921 41.3348 176.5068 56 A 4.2031 8.1777 120.9198 54.3116 18.5327 178.1729 57 D 4.5314 8.1559 113.6960 54.3965 41.4062 177.2178 58 G 3.9609 8.4953 108.4267 44.8063 0.0000 173.5103 59 K 4.1977 8.6504 122.1392 55.8221 32.8732 175.3969 60 Q 5.1855 8.4700 124.4964 54.5566 31.3507 174.7645 61 T 4.7673 8.6787 116.2938 60.4656 71.4922 172.4564 62 V 5.0065 8.4358 125.5540 61.1404 34.7664 174.8623 63 V 4.6723 8.7811 126.4510 61.2984 34.4683 173.9310 64 E 5.1870 9.1502 124.6244 54.4756 33.3939 174.3346 65 G 4.0190 7.8247 105.9035 46.7500 0.0000 171.5327 66 D 4.8210 8.6377 119.4862 54.1817 41.8204 177.6793 67 G 3.8635 8.4661 112.5533 45.0104 0.0000 172.9826 68 V 4.2449 7.9592 111.5197 60.5773 33.7858 176.9207 69 V 3.4671 9.5680 117.0553 62.4613 29.0810 174.0743 70 G 3.9769 8.8671 105.4427 45.2673 0.0000 173.4614 71 E 4.6683 8.0210 116.6671 54.4753 32.6382 174.6326 72 Q 4.7853 8.2947 119.3573 52.2264 28.9500 173.1474 73 P 4.0470 0.0000 0.0000 62.4230 32.9154 175.2845 74 R 4.8571 8.3019 122.4698 54.7885 31.8296 174.8409 75 I 4.5280 8.8890 128.3097 59.1621 39.8096 175.7319 76 K 4.4442 8.8067 126.3167 55.6961 33.4912 176.3169 77 A 4.0380 7.5264 125.8005 54.2290 18.5451 177.7977 78 N 4.3742 9.0282 118.7115 53.8441 36.8888 173.6331 79 D 5.1603 7.9474 119.2296 52.7594 44.0560 174.7199 80 E 5.3170 8.5116 116.2120 55.2205 33.1654 173.9855 81 Y 4.9182 9.4782 121.3804 56.2208 41.9744 174.2013 82 T 5.1970 7.9538 122.2539 62.1201 71.8601 172.5163 83 Y 4.8876 8.4834 122.0313 56.1164 42.0585 173.2723 84 S 4.7443 8.4959 112.9874 57.1112 66.3757 173.8103 85 S 4.1437 7.6194 115.1256 59.0033 65.8977 172.5569 86 G 4.3707 8.0693 103.2543 46.4076 0.0000 172.6320 87 T 5.0315 8.8808 114.0513 60.3345 71.4446 172.1768 88 A 5.4466 8.7162 126.7851 50.2767 21.6467 175.5871 89 L 5.0538 9.4981 120.0834 53.0451 45.9121 177.4275 90 D 5.3472 9.2929 118.6094 55.1960 41.0639 176.5840 91 T 4.7094 7.6727 109.0787 58.7933 71.7892 172.4633 92 P 3.7035 0.0000 0.0000 63.8577 32.1383 175.5569 93 V 4.6019 6.9029 119.2110 62.1741 35.1498 174.4363 94 G 3.8940 8.1013 109.6142 46.7033 0.0000 170.9300 95 V 4.7391 7.8598 118.9806 61.0950 35.4473 174.7287 *97 Q 4.3497 8.6178 117.1441 56.1273 30.2239 174.9720 98 G 3.8925 7.8188 106.0946 46.1007 0.0000 171.7471 99 Q 4.7377 7.6743 118.8482 54.9471 32.6304 173.8383 100 Y 5.2753 8.6022 118.7645 56.4576 40.5823 174.5859 101 L 4.8966 8.3817 124.9315 53.2324 44.7591 175.6081 *103 I 4.3501 8.0550 116.3046 61.1451 39.5242 175.4868 104 D 5.2226 8.9066 124.0584 52.5471 41.7150 176.2388 105 E 4.0244 8.7515 118.1903 58.7320 29.8220 177.7518 106 Q 4.2961 8.3377 117.5614 55.7052 29.2801 175.6415 107 G 3.8957 8.2345 104.1848 46.1016 0.0000 173.1572 108 E 4.2056 8.6928 122.3307 55.5680 30.6333 176.0930 109 S 4.7487 8.7526 122.4817 58.3952 63.2210 173.0118 110 F 5.1303 8.3488 120.3745 55.7594 40.8890 173.5018 111 T 4.6669 8.6638 117.4589 62.2051 70.2818 174.0788 112 V 4.4675 8.8650 125.8635 61.0708 34.2370 174.1706 113 E 4.5365 8.8653 127.6483 55.9897 30.7562 176.0884 114 I 4.2394 8.5417 126.1121 59.5887 38.3081 175.3369 115 E 4.4776 8.7899 126.9762 55.4796 30.2531 175.4961 116 P 4.4379 0.0000 0.0000 63.4580 31.9625 175.6307 117 F 5.0979 8.1125 117.1972 55.2168 41.8370 173.5461 118 R 4.6258 8.7059 118.8771 55.4303 31.5069 175.6781 119 L 4.4997 8.2818 123.2069 53.1185 43.6511 175.5313 120 A 5.0022 8.1848 123.6006 50.3395 21.9990 176.3300 121 V 3.5755 8.6074 122.4744 61.0997 32.0754 174.6271 122 P 4.4041 0.0000 0.0000 63.5485 32.2013 177.1999 123 H 4.9167 8.1311 117.1394 54.2552 28.5531 173.7852 124 V 3.8539 7.5540 122.5232 62.6012 31.5697 176.3596 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 D 8.36 4.65 0.00 2.63 2.66 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 0.00 0.00 0.00 3 V 8.38 4.29 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 0.70 0.00 0.00 0.92 0.00 0.00 4 S 8.60 4.82 0.00 3.78 3.70 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 5 L 8.14 3.93 0.00 1.54 1.31 1.00 0.92 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 6 P 0.00 4.13 0.00 1.67 1.89 0.00 2.44 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.82 0.00 7 C 8.75 4.41 0.00 2.89 2.89 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 8 I 8.53 4.88 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 1.05 0.00 0.00 9 K 9.12 4.57 0.00 1.85 1.71 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 10 I 8.47 5.20 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.04 0.00 0.00 11 Q 8.95 4.89 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 12 V 8.02 4.90 1.61 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 0.01 0.00 0.00 0.43 0.00 0.00 13 Q 8.99 4.85 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 14 T 8.36 5.28 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 R 8.70 4.74 0.00 1.97 1.83 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 16 Y 9.06 4.58 0.00 3.08 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 17 I 8.36 3.91 1.61 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 1.12 1.02 0.77 0.00 0.00 18 E 8.14 3.27 0.00 1.85 1.83 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 2.38 2.52 0.00 19 E 7.95 4.07 0.00 2.04 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 0.00 2.17 2.21 0.00 20 Q 7.55 4.50 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 21 S 7.72 4.58 0.00 3.69 3.79 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 22 N 8.89 4.74 0.00 2.56 2.54 0.00 0.00 7.57 7.33 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 23 P 0.00 3.53 0.00 2.25 2.28 0.00 3.64 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 2.24 2.11 0.00 24 E 8.39 3.92 0.00 2.34 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 2.34 2.39 0.00 25 Y 8.01 4.24 0.00 2.82 2.96 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 26 Q 8.12 3.30 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 27 R 7.52 4.75 0.00 1.84 1.76 0.00 2.96 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 28 F 9.41 5.12 0.00 3.39 2.94 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 29 V 8.50 4.72 1.85 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 0.71 0.00 0.00 0.89 0.00 0.00 30 F 9.47 5.47 0.00 3.08 3.05 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 A 9.36 5.37 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 32 Y 8.37 5.26 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 33 L 9.24 4.89 0.00 1.62 1.48 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.53 5.05 1.44 0.00 0.00 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 1.27 0.62 1.18 0.00 0.00 35 T 8.70 5.01 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 36 I 9.07 4.94 2.07 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 1.51 1.05 1.02 0.00 0.00 37 K 8.88 4.94 0.00 1.75 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.40 7.81 38 N 9.19 4.84 0.00 2.82 2.90 0.00 0.00 6.72 7.52 0.00 0.00 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 L 8.76 4.98 0.00 1.57 1.67 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.30 4.75 0.00 3.93 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 41 S 8.50 4.71 0.00 3.98 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 42 Q 7.82 4.77 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 43 T 9.17 4.58 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 1.30 0.00 0.00 44 V 8.75 4.86 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 0.92 0.00 0.00 1.06 0.00 0.00 45 Q 8.47 4.80 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 46 L 8.50 4.21 0.00 1.52 1.20 0.15 0.53 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 *48 S 8.36 4.55 0.00 4.12 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 49 R 8.89 5.26 0.00 2.02 2.27 0.00 3.23 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 50 R 8.57 4.98 0.00 1.79 1.79 0.00 3.03 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 51 W 9.54 5.26 0.00 3.42 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 52 L 9.35 5.01 0.00 1.56 1.55 0.97 0.96 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 53 I 8.57 4.59 1.86 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 1.06 0.69 0.85 0.00 0.00 54 T 8.96 5.06 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 1.20 0.00 0.00 55 D 8.82 4.97 0.00 2.90 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 56 A 8.18 4.20 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 57 D 8.16 4.53 0.00 2.81 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 58 G 8.50 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 0.00 0.00 0.00 59 K 8.65 4.20 0.00 1.81 1.97 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 60 Q 8.47 5.19 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 61 T 8.68 4.77 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 1.28 0.00 0.00 62 V 8.44 5.01 2.12 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 0.94 0.00 0.00 1.00 0.00 0.00 63 V 8.78 4.67 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 1.04 0.00 0.00 1.02 0.00 0.00 64 E 9.15 5.19 0.00 2.08 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 0.00 2.21 2.33 0.00 65 G 7.82 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 66 D 8.64 4.82 0.00 2.66 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 67 G 8.47 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 0.00 0.00 0.00 68 V 7.96 4.24 0.83 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 0.71 0.00 0.00 0.47 0.00 0.00 69 V 9.57 3.47 2.13 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 0.83 0.00 0.00 0.91 0.00 0.00 70 G 8.87 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 71 E 8.02 4.67 0.00 1.99 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 2.41 2.12 0.00 72 Q 8.29 4.79 0.00 1.82 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 73 P 0.00 4.05 0.00 1.36 0.62 0.00 3.32 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.04 0.00 74 R 8.30 4.86 0.00 1.75 1.79 0.00 3.26 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 75 I 8.89 4.53 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 1.00 0.00 0.00 76 K 8.81 4.44 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81 77 A 7.53 4.04 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 78 N 9.03 4.37 0.00 2.91 2.99 0.00 0.00 6.94 8.10 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 79 D 7.95 5.16 0.00 2.89 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 80 E 8.51 5.32 0.00 2.09 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 2.20 2.32 0.00 81 Y 9.48 4.92 0.00 3.00 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 82 T 7.95 5.20 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 1.14 0.00 0.00 83 Y 8.48 4.89 0.00 2.95 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 84 S 8.50 4.74 0.00 3.70 3.67 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 85 S 7.62 4.14 0.00 3.92 2.88 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 86 G 8.07 4.37 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 0.00 87 T 8.88 5.03 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 1.30 0.00 0.00 88 A 8.72 5.45 1.26 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 0.00 0.00 0.00 89 L 9.50 5.05 0.00 2.00 1.66 0.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.29 5.35 0.00 2.76 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 91 T 7.67 4.71 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 1.25 0.00 0.00 92 P 0.00 3.70 0.00 1.73 1.32 0.00 3.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.43 0.00 93 V 6.90 4.60 1.94 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 0.66 0.00 0.00 0.78 0.00 0.00 94 G 8.10 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 95 V 7.86 4.74 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 0.91 0.00 0.00 0.81 0.00 0.00 *97 Q 8.62 4.35 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 98 G 7.82 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 99 Q 7.67 4.74 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 100 Y 8.60 5.28 0.00 2.80 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 0.00 101 L 8.38 4.90 0.00 1.59 1.46 0.88 0.83 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 *103 I 8.05 4.35 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 1.35 0.45 0.89 0.00 0.00 104 D 8.91 5.22 0.00 2.91 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 0.00 105 E 8.75 4.02 0.00 1.97 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 2.30 2.43 0.00 106 Q 8.34 4.30 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 107 G 8.23 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 0.00 108 E 8.69 4.21 0.00 2.16 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 2.33 2.35 0.00 109 S 8.75 4.75 0.00 3.95 3.78 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 0.00 110 F 8.35 5.13 0.00 3.01 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 0.00 111 T 8.66 4.67 4.27 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 1.22 0.00 0.00 112 V 8.86 4.47 2.14 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 1.15 0.00 0.00 1.05 0.00 0.00 113 E 8.87 4.54 0.00 1.88 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 2.27 0.00 114 I 8.54 4.24 1.74 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.33 1.13 0.00 0.00 115 E 8.79 4.48 0.00 1.91 1.93 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 2.34 2.32 0.00 116 P 0.00 4.44 0.00 1.92 1.96 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 117 F 8.11 5.10 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 4.63 0.00 1.71 1.81 0.00 3.12 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 119 L 8.28 4.50 0.00 0.85 0.13 0.60 0.47 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 0.00 120 A 8.18 5.00 1.16 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 0.00 0.00 121 V 8.61 3.58 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.10 0.00 0.00 122 P 0.00 4.40 0.00 2.10 2.07 0.00 3.66 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 2.16 2.20 0.00 123 H 8.13 4.92 0.00 3.16 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.55 3.85 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 0.71 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.