NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7572 8.3393 109.7360 44.8328 0.0000 175.6188 *2 P 4.1979 0.0000 0.0000 61.9305 33.0682 176.8720 3 Q 3.9915 8.4257 117.5235 56.2579 29.0604 176.2831 4 T 4.3483 8.2774 116.0703 60.3567 68.1220 173.5076 5 I 4.2226 8.2597 130.8331 60.5603 37.8597 175.9916 6 T 4.3578 8.4706 114.5768 61.3110 70.1484 174.2172 7 R 4.3454 7.8911 121.3945 54.7189 32.2478 173.5455 8 G 4.3264 8.1823 115.9797 43.3471 0.0000 172.5754 9 I 3.7901 8.2511 111.5506 63.5792 38.1122 177.3167 10 K 3.9506 8.3162 121.9524 59.5066 32.2195 179.2137 11 A 4.0437 7.5224 117.0401 52.9847 17.8550 178.9549 *13 L 4.2401 7.9846 121.1741 56.3126 44.0528 178.8865 14 D 4.2923 8.2738 117.4688 57.4975 40.8900 178.1662 15 E 3.9437 7.9094 117.3400 59.3042 29.7509 179.1187 16 A 4.0794 7.8451 120.0870 55.3654 18.7743 179.0400 17 N 4.2638 8.6915 115.4475 56.6110 38.7430 177.3220 18 S 4.4942 7.9253 109.6860 59.5272 63.4411 174.6296 19 S 4.6600 7.9879 116.2342 58.2118 64.1989 173.6880 20 I 4.6114 7.0327 111.3277 58.2466 40.3634 174.5561 21 E 4.1725 8.6484 122.4481 56.5355 30.5797 175.4042 22 T 4.8766 8.5641 124.6224 62.1631 69.7245 174.0666 23 L 4.4866 8.9117 130.9794 53.9830 43.3831 176.7108 24 T 4.4342 8.6010 116.2995 61.8429 69.7030 175.0972 25 T 3.8997 8.7166 119.6760 67.0011 68.4166 176.6906 26 A 3.8465 7.8626 121.9868 55.2359 18.3906 179.2830 27 D 4.2736 8.1951 117.2554 57.3590 40.8433 178.8711 28 A 4.1183 8.3643 121.5874 55.2098 18.3751 179.7533 29 I 3.1167 7.8482 118.2476 64.2905 37.1693 178.5238 30 A 3.9341 8.0639 121.6627 54.9271 18.2955 179.3282 31 L 3.8972 8.2523 119.1685 58.6055 42.1711 178.7066 32 H 4.1836 8.5264 118.0891 59.4331 29.6789 177.4508 33 K 4.1247 8.1858 119.1609 59.1239 31.9196 178.9396 34 S 4.3369 7.7312 113.0378 59.1926 63.2140 174.9910 35 G 3.8616 8.1454 109.7357 44.3999 0.0000 173.1860 36 A 3.7537 7.9764 121.8275 52.8869 16.7303 177.5270 37 S 4.2393 7.9285 115.7177 60.6075 63.8467 174.6517 38 D 4.3726 8.7851 123.3510 55.2948 38.3340 173.0208 39 V 4.6822 7.4421 116.4677 61.0070 34.9325 174.5604 40 V 4.1964 8.2839 127.0601 61.0810 34.1195 174.0831 41 I 4.6675 8.3121 128.9559 60.1838 38.9428 174.6599 42 V 4.8949 8.9665 128.2778 61.1693 33.7820 173.9091 43 D 3.9969 9.0444 129.7120 53.0796 42.1919 176.1656 44 I 5.0622 7.9743 118.9655 60.0588 38.8467 176.2036 45 R 4.3150 7.7644 121.9447 55.8083 30.8828 175.9995 46 D 4.3936 8.8688 120.3087 53.4889 41.8458 175.8044 47 P 4.2516 0.0000 0.0000 66.0693 31.0899 178.9617 48 R 3.9224 8.7541 118.4090 58.8283 29.9396 178.7155 49 E 3.9682 8.0355 118.2741 59.4130 29.4259 179.3770 50 I 3.5654 7.5681 119.3235 64.2557 37.0034 177.8525 51 E 3.8880 8.1582 119.2840 59.2712 29.5073 178.6465 52 R 4.0434 7.7231 117.0594 59.0667 30.3723 177.3613 53 D 4.9261 8.2344 115.4113 54.1129 42.3756 177.2478 54 G 3.8972 9.5656 107.5367 44.6365 0.0000 172.0190 55 K 3.8863 8.3135 116.3010 54.9712 35.8906 175.1349 56 I 4.0225 8.2151 120.8596 60.0620 37.2184 174.4702 57 P 4.5843 0.0000 0.0000 64.2804 31.5541 176.9093 58 G 4.0047 8.2226 112.0528 45.3083 0.0000 173.8643 59 S 4.5958 7.8013 114.2787 58.3043 64.1995 173.3510 60 F 4.7987 9.2699 124.4857 56.7718 41.0926 174.3616 61 S 4.7147 7.9997 121.4571 57.5687 63.3036 172.8797 62 C 4.3230 8.8485 128.0879 57.5550 34.2763 173.4879 63 T 4.2517 8.0765 116.8601 61.3948 68.9757 174.2214 64 R 3.9039 8.1648 124.0073 59.6414 30.1263 179.1122 65 G 3.6966 7.5760 106.2040 45.3365 0.0000 174.4243 *67 L 4.2299 8.1508 122.1518 54.7104 43.9816 178.4150 68 E 3.7596 7.9254 117.4221 59.3977 29.0515 179.2399 69 F 4.3162 8.0943 116.3088 59.6965 39.3462 176.9067 70 W 5.1761 8.1233 119.1758 57.9602 29.2552 178.6995 71 I 3.6367 7.7870 119.6759 63.0676 36.8462 176.1824 72 D 4.3893 7.7169 121.5619 53.3208 41.0477 175.0830 73 P 4.3353 0.0000 0.0000 65.2231 31.4966 176.9528 74 Q 4.2971 8.4326 117.0416 55.9759 29.2766 175.6971 75 S 4.4868 8.0162 114.6577 56.8651 63.1130 173.2731 76 P 4.0978 0.0000 0.0000 64.9824 31.1568 176.7223 77 Y 4.6617 7.8575 114.6315 57.2742 38.2598 175.1807 78 A 4.3879 7.6833 123.1246 52.7440 19.1130 177.8169 79 K 4.5398 9.1042 121.5860 53.7926 34.3544 176.0351 80 P 4.3323 0.0000 0.0000 65.2328 31.1794 178.3475 81 I 3.6501 7.5760 117.4067 63.9640 37.4815 176.8491 82 F 4.4999 7.7786 115.7351 58.5353 39.0028 176.4370 83 Q 4.4459 7.9507 117.1759 55.2500 29.4703 175.7812 84 E 4.1885 7.4867 119.8996 56.3436 30.4508 177.2529 85 D 4.7373 8.3331 122.6459 53.1012 39.6573 174.6475 86 K 4.7383 7.4064 119.8939 54.1582 37.4693 176.2424 87 K 4.4868 8.6635 123.2425 56.1212 33.6507 175.3822 88 F 4.8606 9.1978 126.4162 55.9423 41.1171 174.8932 89 V 4.7250 8.5998 125.4258 61.3306 33.2863 174.4810 90 F 5.4144 9.5144 128.2585 56.7824 40.9658 174.8042 91 Y 5.3524 9.1704 119.9833 55.9569 41.8577 174.0897 92 C 5.0872 8.4817 114.8593 57.4701 32.8889 173.7519 93 A 4.2953 8.9953 118.0119 54.9090 19.0058 179.8459 94 G 4.1113 8.4407 99.4043 44.7631 0.0000 173.2004 95 G 4.1698 8.5461 108.8109 45.0738 0.0000 175.8843 96 L 4.0915 7.9452 119.6516 57.7773 41.9721 178.8475 97 R 3.9366 8.0286 117.6034 59.5546 29.8666 179.1638 98 S 4.1937 8.1242 113.0540 61.0259 63.1583 176.3012 99 A 3.7484 7.6713 123.9200 54.9834 18.0395 179.5724 100 L 3.8573 7.6993 116.8410 57.7481 41.5721 179.6719 101 A 3.6669 8.2331 120.8754 54.9445 18.2044 179.4883 102 A 3.4864 7.8538 119.5082 54.9999 18.3885 179.7846 103 K 3.8133 7.9542 118.0408 59.8336 32.0508 179.0397 104 T 3.7208 7.7520 114.8615 66.6349 68.6783 176.0117 105 A 3.9672 7.8563 122.6574 55.1575 18.1535 179.4584 106 Q 4.3178 7.9707 118.5090 58.6807 29.2400 179.3634 107 D 4.5383 8.1462 119.5475 54.1314 41.2695 177.7000 *109 G 3.8587 8.0502 107.5275 44.6094 0.0000 173.6770 110 L 4.1714 7.6753 123.7408 55.3231 43.0819 175.9713 111 K 4.8709 8.4661 123.8224 54.7273 36.3505 173.7243 112 P 4.8062 0.0000 0.0000 62.5758 33.2308 175.1647 113 V 5.3856 8.3344 112.9750 60.2115 35.7348 174.1142 114 A 5.0732 9.1334 123.1567 51.6223 23.3429 174.5443 115 H 6.0344 9.1868 113.5620 53.1012 33.0575 172.5593 116 I 4.6831 8.3167 119.7490 59.7017 38.4718 175.2923 117 E 4.0220 9.0180 129.3990 57.8551 30.0582 177.4173 118 G 3.8842 9.2876 113.2740 44.7983 0.0000 174.8273 119 G 4.3604 8.0845 109.1772 45.4074 0.0000 174.0658 120 F 4.3930 9.2460 119.8184 61.0154 39.2600 178.6300 121 G 3.6595 8.5729 105.7509 47.9057 0.0000 175.5702 122 A 4.0281 7.9900 123.3928 54.1784 18.3085 179.3797 123 W 3.8949 8.1801 127.0155 60.6779 30.7867 178.1149 124 R 3.7150 8.1131 118.8237 59.6073 29.2632 178.1599 125 D 4.3342 7.9589 117.1578 57.0348 40.8914 177.8534 126 A 4.2395 7.7450 118.6874 51.7494 18.7389 177.5726 127 G 3.6649 7.8646 105.3981 45.9968 0.0000 174.7035 128 G 2.9093 7.4510 107.8166 43.6707 0.0000 172.6619 129 P 4.3775 0.0000 0.0000 63.0185 31.7711 176.2843 130 I 5.0248 8.3219 122.5361 59.6124 40.9605 174.9565 131 E 4.2955 9.3768 124.6910 56.3130 29.4926 175.3515 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 G 8.34 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 0.00 0.00 0.00 *2 P 0.00 4.20 0.00 2.21 2.12 0.00 3.77 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 1.88 1.99 0.00 3 Q 8.43 3.99 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 4 T 8.28 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 1.21 0.00 0.00 5 I 8.26 4.22 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 1.46 0.95 0.90 0.00 0.00 6 T 8.47 4.36 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 7 R 7.89 4.35 0.00 1.72 1.81 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 8 G 8.18 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 0.00 0.00 0.00 0.00 9 I 8.25 3.79 1.86 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 1.29 0.63 0.90 0.00 0.00 10 K 8.32 3.95 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.45 7.81 11 A 7.52 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.24 0.00 1.81 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.27 4.29 0.00 2.85 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 15 E 7.91 3.94 0.00 1.98 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 2.34 2.44 0.00 16 A 7.85 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.69 4.26 0.00 2.79 2.92 0.00 0.00 6.89 7.48 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 18 S 7.93 4.49 0.00 4.02 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 19 S 7.99 4.66 0.00 4.05 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 20 I 7.03 4.61 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.98 0.00 0.00 21 E 8.65 4.17 0.00 2.14 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 0.00 2.45 2.40 0.00 22 T 8.56 4.88 4.30 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 1.21 0.00 0.00 23 L 8.91 4.49 0.00 1.82 1.78 1.01 0.63 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 24 T 8.60 4.43 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 1.22 0.00 0.00 25 T 8.72 3.90 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 1.26 0.00 0.00 26 A 7.86 3.85 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 27 D 8.20 4.27 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.12 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 0.00 0.00 0.00 0.00 0.00 29 I 7.85 3.12 1.62 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.53 0.00 0.00 30 A 8.06 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.90 0.00 1.91 1.97 0.93 1.19 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 32 H 8.53 4.18 0.00 3.67 3.67 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 4.12 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.61 7.81 34 S 7.73 4.34 0.00 4.06 4.10 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 35 G 8.15 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 36 A 7.98 3.75 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.24 0.00 3.85 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 38 D 8.79 4.37 0.00 2.81 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 39 V 7.44 4.68 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 0.68 0.00 0.00 0.94 0.00 0.00 40 V 8.28 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.51 0.00 0.00 41 I 8.31 4.67 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.95 0.00 0.00 42 V 8.97 4.89 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 1.51 0.00 0.00 1.05 0.00 0.00 43 D 9.04 4.00 0.00 2.46 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 0.00 0.00 0.00 0.00 44 I 7.97 5.06 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 1.43 0.86 1.09 0.00 0.00 45 R 7.76 4.31 0.00 1.76 1.91 0.00 3.11 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 46 D 8.87 4.39 0.00 2.60 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 47 P 0.00 4.25 0.00 2.25 2.25 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 48 R 8.75 3.92 0.00 1.93 2.00 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 49 E 8.04 3.97 0.00 2.16 1.97 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 2.32 2.32 0.00 50 I 7.57 3.57 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.80 0.00 0.00 51 E 8.16 3.89 0.00 1.99 1.97 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 2.32 2.32 0.00 52 R 7.72 4.04 0.00 1.96 2.10 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 53 D 8.23 4.93 0.00 2.90 3.03 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 0.00 0.00 0.00 54 G 9.57 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 55 K 8.31 3.89 0.00 1.78 1.69 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.39 7.81 56 I 8.22 4.02 1.38 0.00 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.44 0.00 0.00 57 P 0.00 4.58 0.00 2.21 2.09 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 58 G 8.22 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 59 S 7.80 4.60 0.00 4.19 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 60 F 9.27 4.80 0.00 3.09 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 61 S 8.00 4.71 0.00 3.76 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.85 4.32 0.00 3.50 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 63 T 8.08 4.25 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 1.07 0.00 0.00 64 R 8.16 3.90 0.00 1.73 1.92 0.00 3.33 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 65 G 7.58 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 0.00 0.00 0.00 *67 L 8.15 4.23 0.00 1.75 1.56 0.95 0.61 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 68 E 7.93 3.76 0.00 1.57 1.60 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 0.00 2.20 2.27 0.00 69 F 8.09 4.32 0.00 3.18 3.45 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 70 W 8.12 5.18 0.00 3.54 3.66 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 71 I 7.79 3.64 1.60 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 0.01 -0.36 0.72 0.00 0.00 72 D 7.72 4.39 0.00 2.74 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 73 P 0.00 4.34 0.00 2.22 2.19 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 74 Q 8.43 4.30 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 75 S 8.02 4.49 0.00 3.95 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 76 P 0.00 4.10 0.00 0.55 1.67 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 77 Y 7.86 4.66 0.00 3.52 3.13 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 78 A 7.68 4.39 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 79 K 9.10 4.54 0.00 1.98 1.64 0.00 1.33 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.07 1.05 7.81 80 P 0.00 4.33 0.00 2.10 2.08 0.00 3.53 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 2.06 2.11 0.00 81 I 7.58 3.65 1.30 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 -0.48 0.00 0.00 82 F 7.78 4.50 0.00 3.28 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 83 Q 7.95 4.45 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 84 E 7.49 4.19 0.00 2.13 1.87 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 2.34 2.48 0.00 85 D 8.33 4.74 0.00 2.65 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 86 K 7.41 4.74 0.00 1.12 1.36 0.00 1.73 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.31 7.81 87 K 8.66 4.49 0.00 1.84 1.62 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.66 7.81 88 F 9.20 4.86 0.00 3.09 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 89 V 8.60 4.73 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 0.97 0.00 0.00 0.96 0.00 0.00 90 F 9.51 5.41 0.00 3.11 3.03 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 0.00 0.00 0.00 91 Y 9.17 5.35 0.00 3.07 2.99 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 92 C 8.48 5.09 0.00 2.97 3.06 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 0.00 93 A 9.00 4.30 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 94 G 8.44 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 95 G 8.55 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.95 4.09 0.00 1.72 1.72 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.03 3.94 0.00 1.84 1.96 0.00 3.08 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 98 S 8.12 4.19 0.00 4.39 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 0.00 99 A 7.67 3.75 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 0.00 100 L 7.70 3.86 0.00 1.78 1.65 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.23 3.67 1.02 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 0.00 102 A 7.85 3.49 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.95 3.81 0.00 1.90 1.90 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.47 7.81 104 T 7.75 3.72 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 1.06 0.00 0.00 105 A 7.86 3.97 1.21 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 0.00 106 Q 7.97 4.32 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.56 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 107 D 8.15 4.54 0.00 2.78 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 *109 G 8.05 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 0.00 110 L 7.68 4.17 0.00 1.78 1.63 0.67 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.47 4.87 0.00 1.70 1.71 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.65 7.81 112 P 0.00 4.81 0.00 2.19 2.23 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 113 V 8.33 5.39 2.52 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 1.04 0.00 0.00 1.11 0.00 0.00 114 A 9.13 5.07 1.36 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 0.00 115 H 9.19 6.03 0.00 3.51 3.51 0.00 5.53 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.32 4.68 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 1.11 0.00 0.00 117 E 9.02 4.02 0.00 1.97 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 2.36 2.31 0.00 118 G 9.29 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 0.00 0.00 0.00 119 G 8.08 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 0.00 120 F 9.25 4.39 0.00 3.39 3.23 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 0.00 121 G 8.57 3.66 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 0.00 0.00 0.00 122 A 7.99 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.18 3.89 0.00 3.48 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 0.00 124 R 8.11 3.71 0.00 1.40 1.91 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 125 D 7.96 4.33 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.75 4.24 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 0.00 127 G 7.86 3.66 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 0.00 0.00 0.00 128 G 7.45 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 0.00 0.00 0.00 129 P 0.00 4.38 0.00 2.23 2.16 0.00 3.41 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 130 I 8.32 5.02 2.01 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 1.66 1.06 1.16 0.00 0.00 131 E 9.38 4.30 0.00 2.00 1.80 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 2.24 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.