NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3225 8.0333 115.4833 61.6665 69.0035 172.3927 2 W 4.4774 8.6792 129.2500 54.7373 29.9422 174.5934 3 G 4.1879 7.9777 114.3844 46.2740 0.0000 171.7668 4 V 4.9403 8.7037 121.6813 60.8159 33.1477 174.1135 5 S 4.6631 9.1002 123.3739 57.8669 63.5331 172.8645 6 S 5.0677 8.9352 118.2046 56.8540 64.8150 173.3455 7 P 4.1182 0.0000 0.0000 62.0587 31.9081 176.4570 8 K 4.0952 8.9885 123.5729 59.3315 32.9429 175.9341 9 N 5.6759 8.0988 114.8308 51.4077 42.2283 173.8664 10 V 4.4673 9.0391 121.1494 61.3950 35.3595 173.8881 11 Q 4.7706 8.8137 126.4730 54.6465 30.2353 175.3580 12 G 4.1613 8.9711 110.4611 44.5711 0.0000 171.1476 13 L 5.0717 8.5801 124.4387 53.8837 43.4001 175.3699 14 S 3.9783 9.1687 119.0874 57.9195 62.9715 175.3060 15 G 3.9031 9.2511 113.7538 46.3991 0.0000 173.1521 16 S 4.6635 7.6857 115.1072 56.8763 65.0991 172.0899 17 C 5.1354 8.3822 116.9605 56.8192 31.0953 172.7970 18 L 4.7732 9.0478 123.3406 53.1100 45.0858 174.5739 19 L 5.0376 8.4524 126.5497 53.2311 44.8705 175.2744 20 I 4.4227 9.1292 127.7715 58.5460 39.2955 173.2445 21 P 4.8017 0.0000 0.0000 63.0685 31.8125 176.3332 22 C 5.2604 10.7196 123.8946 55.3417 48.8187 172.3216 23 I 5.0394 8.5534 122.7785 59.9949 41.4131 173.2775 24 F 5.6599 8.4067 123.9204 55.2868 41.2754 173.7702 25 S 4.4330 9.4758 113.9982 57.3635 66.6907 172.1044 26 Y 4.6791 7.2017 116.5060 55.5360 40.5921 172.3996 27 P 4.1898 0.0000 0.0000 62.8936 31.7997 177.5121 28 A 3.9003 8.7889 127.6595 54.4855 18.4130 177.5873 29 D 4.5442 7.8856 113.3704 53.8070 40.1967 176.5994 30 V 3.8886 7.8449 121.7575 61.6491 31.6380 174.0037 31 P 4.5204 0.0000 0.0000 62.7020 31.9285 174.9023 32 V 4.3207 7.8502 117.8742 60.9289 34.7891 173.8636 *35 G 3.8212 8.1617 109.8726 45.5083 0.0000 171.3020 36 I 4.7549 8.2108 118.9919 59.8580 39.2119 175.6745 37 T 4.6927 9.3268 123.6849 61.8770 70.9904 173.4619 38 A 4.9711 8.9481 127.6813 50.4808 22.2757 175.6220 39 I 4.8455 7.8194 120.3598 59.9927 42.2482 174.1718 40 W 5.3182 8.8330 125.9723 55.3435 32.5569 174.4464 41 Y 5.4590 9.2860 118.1711 56.6830 42.3096 173.5657 42 Y 4.3485 8.6750 123.3907 55.9927 41.2822 175.1471 43 D 4.2014 8.2900 127.7895 54.6959 40.1856 173.1894 44 Y 3.9965 8.0677 122.9588 61.0094 39.3695 177.1800 45 S 4.2596 8.4546 112.2965 60.9933 64.4346 174.9904 46 G 3.5544 8.2270 107.5773 45.5145 0.0000 174.5777 47 K 3.8168 6.2055 119.7328 59.1374 32.7729 176.8271 48 R 3.8143 7.7756 118.6818 56.7798 27.8943 173.4810 49 Q 4.8829 8.6253 120.4239 53.1560 32.3438 174.7376 50 V 3.7735 8.6601 123.8090 63.6622 31.9672 176.3083 51 V 3.8197 8.4881 129.1300 65.0622 32.5040 176.3528 52 I 4.8871 7.5803 119.0361 60.1179 41.9222 174.2024 53 H 5.1064 8.7224 125.0639 55.4564 32.0848 173.0727 54 S 4.5061 8.8643 120.3840 59.0482 63.2700 175.6533 55 G 3.7770 8.5281 109.7470 47.9925 0.0000 173.8136 56 D 4.3737 7.6991 122.3155 52.2435 41.4215 173.4676 57 P 4.4976 0.0000 0.0000 64.3072 31.3174 178.3109 58 K 3.8476 7.6115 118.0571 58.3887 32.2946 177.9760 59 L 4.2163 8.1238 118.3103 56.0845 42.0112 177.6434 60 V 3.8595 7.0042 118.1881 62.9155 32.0243 175.1838 61 D 4.5293 9.7949 127.8150 53.7598 42.0854 177.0049 62 K 3.8214 8.8712 125.2422 60.0556 32.4824 178.6464 63 R 3.6533 7.1479 117.4804 58.3041 29.9492 176.6145 64 F 4.9502 7.9035 114.7418 57.4665 41.0093 175.7096 65 R 3.9641 7.4696 118.8003 58.2123 30.0362 176.9309 66 G 4.0311 9.1617 110.4201 45.5138 0.0000 173.4989 67 R 4.6285 8.9380 118.7314 56.0509 33.4566 175.6561 68 A 5.3187 8.1143 119.5623 49.8699 21.5067 175.4320 69 E 4.7370 8.9943 119.5725 54.2590 33.8378 174.5706 70 L 4.7727 8.5171 123.1144 54.2077 42.8740 175.9615 71 M 4.5580 8.7316 128.6583 55.6669 32.1940 176.8729 72 G 4.1365 8.1833 106.5284 44.3850 0.0000 174.1911 73 N 4.9568 7.7897 117.9516 51.9920 38.3820 175.3588 74 M 3.6839 7.9268 120.6559 58.2646 33.0419 178.0177 75 D 4.4897 8.0835 117.3184 57.2437 41.6022 176.2513 76 H 4.6067 9.2986 114.8245 54.9980 28.8373 175.0378 77 K 3.1957 7.7846 118.0822 57.4656 29.3493 174.5004 78 V 4.5910 7.7552 117.3983 60.7738 34.2434 174.4412 79 C 5.0322 8.3871 122.7601 54.7392 43.1595 173.9058 80 N 4.6995 8.5501 116.2157 55.1715 39.2313 173.5545 81 L 4.6011 8.6053 124.6892 52.9420 44.8379 174.4844 82 L 4.8278 8.4999 128.2763 53.2495 44.5469 174.7914 83 L 4.9277 9.3262 127.7761 52.9240 43.6704 175.8259 84 K 4.2866 9.4841 125.1124 56.6214 33.1152 176.3176 85 D 4.2835 8.7383 121.6006 53.6354 38.7933 173.1165 86 L 4.3852 8.2976 124.4380 53.4448 43.0445 176.2214 87 K 4.7706 8.1586 116.5210 54.8112 35.5544 175.4020 88 P 4.2831 0.0000 0.0000 65.7293 31.5395 178.6182 89 E 4.1004 8.1678 115.0575 59.1345 29.5303 177.6884 90 D 4.4804 8.4026 119.9596 57.0030 41.1621 177.1949 91 S 4.5393 7.6568 113.5375 58.1360 63.7231 174.9814 92 G 4.0308 7.5782 109.5716 46.2393 0.0000 170.2498 93 T 5.1987 7.4363 115.4426 62.0355 71.3227 173.1411 94 Y 5.9504 9.3002 123.9127 55.8485 40.8891 174.4925 95 N 5.4974 9.2003 120.3962 51.4835 42.5793 172.9042 96 F 4.6474 8.6253 124.6500 56.4285 42.0678 174.2180 97 R 4.7216 7.8464 125.3871 54.2872 33.3598 173.5369 98 F 5.0691 8.1101 120.7052 54.8863 41.0296 174.0366 99 E 4.8563 9.2424 120.6380 55.1285 32.5292 175.1803 100 I 4.3087 8.4780 121.9726 62.1935 39.4936 176.6216 101 S 4.1461 8.1030 119.0650 58.5832 63.5051 172.7386 102 D 4.1880 8.7630 124.7132 56.4690 39.9487 175.3799 103 S 4.5214 10.6393 111.4364 57.8586 66.0700 173.8461 104 N 4.7194 7.8731 120.4024 53.4348 38.4228 174.1856 105 R 4.9318 7.2070 113.2348 54.2478 33.0358 175.8671 106 W 4.6760 8.2606 129.9071 55.7010 34.6805 172.9884 107 L 4.7995 6.9948 128.1127 52.6509 43.8778 175.2536 108 D 4.5756 8.8965 127.3270 54.3303 41.4722 176.3766 109 V 3.6316 8.4488 127.0851 64.5298 31.4344 177.2821 110 K 3.7721 7.6985 119.0133 57.2363 32.2582 178.5329 111 G 4.1978 9.6372 104.3525 45.8968 0.0000 172.4010 112 T 5.0020 9.1517 114.5887 60.9063 72.1731 173.5762 113 T 4.9967 9.5275 125.1291 62.4029 70.2058 173.9888 114 V 4.6785 8.6548 127.4643 61.8245 33.6543 174.6212 115 T 4.9658 8.9429 124.3663 61.7018 71.5096 173.0290 116 V 5.6119 9.2518 126.7058 60.6721 33.5457 174.5706 117 T 4.7670 8.4635 116.5540 60.7232 72.4500 173.9816 118 T 4.0353 8.6292 117.3259 65.7008 70.8068 174.8670 *119 D 4.4415 8.0103 122.4492 53.3807 40.5341 176.7933 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 1 T 8.03 4.32 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 1.09 0.00 0.00 2 W 8.68 4.48 0.00 2.51 1.74 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 3 G 7.98 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 0.00 0.00 0.00 0.00 4 V 8.70 4.94 2.60 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 1.15 0.00 0.00 1.59 0.00 0.00 5 S 9.10 4.66 0.00 4.02 3.77 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 6 S 8.94 5.07 0.00 4.03 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 7 P 0.00 4.12 0.00 2.26 2.27 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 8 K 8.99 4.10 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.53 7.81 9 N 8.10 5.68 0.00 2.62 2.69 0.00 0.00 6.56 7.68 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 10 V 9.04 4.47 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 1.01 0.00 0.00 0.90 0.00 0.00 11 Q 8.81 4.77 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 12 G 8.97 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 0.00 0.00 0.00 13 L 8.58 5.07 0.00 1.60 1.60 0.92 0.93 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 14 S 9.17 3.98 0.00 4.02 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 15 G 9.25 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 16 S 7.69 4.66 0.00 3.93 3.80 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 17 C 8.38 5.14 0.00 2.97 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 18 L 9.05 4.77 0.00 1.62 1.37 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.45 5.04 0.00 1.58 1.42 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 I 9.13 4.42 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.21 0.81 0.00 0.00 21 P 0.00 4.80 0.00 2.08 2.05 0.00 3.67 0.00 0.00 3.54 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 22 C 10.72 5.26 0.00 2.98 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 23 I 8.55 5.04 1.88 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 1.26 0.94 0.89 0.00 0.00 24 F 8.41 5.66 0.00 3.07 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 25 S 9.48 4.43 0.00 3.50 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 26 Y 7.20 4.68 0.00 1.43 1.88 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 27 P 0.00 4.19 0.00 2.20 2.05 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 28 A 8.79 3.90 1.18 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 29 D 7.89 4.54 0.00 2.83 2.81 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 0.00 0.00 0.00 30 V 7.84 3.89 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 0.83 0.00 0.00 1.16 0.00 0.00 31 P 0.00 4.52 0.00 2.25 2.08 0.00 3.83 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 2.04 1.99 0.00 32 V 7.85 4.32 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 0.89 0.00 0.00 1.01 0.00 0.00 *35 G 8.16 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 36 I 8.21 4.75 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 1.08 0.00 0.00 37 T 9.33 4.69 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 1.20 0.00 0.00 38 A 8.95 4.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 4.85 1.71 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 0.81 0.32 0.42 0.00 0.00 40 W 8.83 5.32 0.00 3.38 3.20 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 0.00 41 Y 9.29 5.46 0.00 3.15 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 42 Y 8.68 4.35 0.00 2.83 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 43 D 8.29 4.20 0.00 1.89 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 0.00 0.00 0.00 44 Y 8.07 4.00 0.00 2.84 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 45 S 8.45 4.26 0.00 3.98 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 46 G 8.23 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 0.00 0.00 0.00 47 K 6.21 3.82 0.00 1.83 2.00 0.00 2.24 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.61 7.81 48 R 7.78 3.81 0.00 1.76 1.78 0.00 2.21 0.00 0.00 2.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 49 Q 8.63 4.88 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 50 V 8.66 3.77 2.35 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 1.00 0.00 0.00 1.02 0.00 0.00 51 V 8.49 3.82 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 0.34 0.00 0.00 0.75 0.00 0.00 52 I 7.58 4.89 2.20 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 1.26 1.42 1.11 0.00 0.00 53 H 8.72 5.11 0.00 3.15 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.86 4.51 0.00 4.02 4.03 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 55 G 8.53 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 0.00 0.00 0.00 56 D 7.70 4.37 0.00 2.67 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.29 2.33 0.00 3.76 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 2.10 2.03 0.00 58 K 7.61 3.85 0.00 2.10 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.54 7.81 59 L 8.12 4.22 0.00 1.61 1.73 0.66 0.89 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 60 V 7.00 3.86 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 0.97 0.00 0.00 1.04 0.00 0.00 61 D 9.79 4.53 0.00 2.91 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 3.82 0.00 1.90 2.05 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.35 7.81 63 R 7.15 3.65 0.00 1.49 1.65 0.00 2.88 0.00 0.00 2.76 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 64 F 7.90 4.95 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 65 R 7.47 3.96 0.00 1.97 1.95 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 66 G 9.16 4.03 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 0.00 0.00 0.00 67 R 8.94 4.63 0.00 1.95 2.14 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 68 A 8.11 5.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.99 4.74 0.00 2.01 2.01 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 2.14 2.20 0.00 70 L 8.52 4.77 0.00 1.79 1.71 1.27 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.73 4.56 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 72 G 8.18 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 73 N 7.79 4.96 0.00 2.66 2.68 0.00 0.00 7.54 7.51 0.00 0.00 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 M 7.93 3.68 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 75 D 8.08 4.49 0.00 2.64 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 76 H 9.30 4.61 0.00 3.15 3.24 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.78 3.20 0.00 1.54 1.09 0.00 1.13 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.90 1.07 7.81 78 V 7.76 4.59 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 1.11 0.00 0.00 0.93 0.00 0.00 79 C 8.39 5.03 0.00 1.55 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 80 N 8.55 4.70 0.00 2.93 2.76 0.00 0.00 6.44 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 81 L 8.61 4.60 0.00 0.39 0.58 0.53 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.50 4.83 0.00 1.71 1.54 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.33 4.93 0.00 1.32 1.44 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.48 4.29 0.00 1.61 1.71 0.00 1.98 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.51 7.81 85 D 8.74 4.28 0.00 2.88 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 86 L 8.30 4.39 0.00 1.76 1.59 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.16 4.77 0.00 1.78 1.65 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.80 7.81 88 P 0.00 4.28 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 89 E 8.17 4.10 0.00 2.07 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 0.00 2.27 2.30 0.00 90 D 8.40 4.48 0.00 3.02 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 91 S 7.66 4.54 0.00 4.02 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 92 G 7.58 4.03 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 0.00 0.00 0.00 93 T 7.44 5.20 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 1.35 0.00 0.00 94 Y 9.30 5.95 0.00 3.23 3.29 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 95 N 9.20 5.50 0.00 2.64 2.75 0.00 0.00 6.67 8.13 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 96 F 8.63 4.65 0.00 1.51 2.45 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 97 R 7.85 4.72 0.00 1.66 1.67 0.00 3.02 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.43 0.00 98 F 8.11 5.07 0.00 2.89 2.30 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 99 E 9.24 4.86 0.00 1.84 1.79 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 2.07 2.10 0.00 100 I 8.48 4.31 2.08 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.92 0.00 0.00 101 S 8.10 4.15 0.00 3.83 3.73 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 0.00 102 D 8.76 4.19 0.00 2.77 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 0.00 103 S 10.64 4.52 0.00 3.85 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 0.00 104 N 7.87 4.72 0.00 3.10 3.20 0.00 0.00 6.69 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 0.00 105 R 7.21 4.93 0.00 1.57 1.75 0.00 2.92 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 106 W 8.26 4.68 0.00 3.18 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 0.00 0.00 0.00 0.00 107 L 6.99 4.80 0.00 1.18 0.95 0.60 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.90 4.58 0.00 2.87 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 0.00 109 V 8.45 3.63 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 0.83 0.00 0.00 0.88 0.00 0.00 110 K 7.70 3.77 0.00 2.09 1.94 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.55 7.81 111 G 9.64 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 0.00 0.00 0.00 0.00 112 T 9.15 5.00 4.45 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 1.28 0.00 0.00 113 T 9.53 5.00 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 1.38 0.00 0.00 114 V 8.65 4.68 2.17 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 0.90 0.00 0.00 0.62 0.00 0.00 115 T 8.94 4.97 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 116 V 9.25 5.61 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 0.84 0.00 0.00 1.02 0.00 0.00 117 T 8.46 4.77 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 1.23 0.00 0.00 118 T 8.63 4.04 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 1.21 0.00 0.00 *119 D 8.01 4.44 0.00 2.44 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 * Residues marked with a * may have inaccurate shift predictions.