NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7444 8.2085 109.7403 45.3135 0.0000 172.2481 *23 A 4.1983 8.1091 120.1083 51.9803 19.4999 176.3686 24 S 4.5142 8.3843 115.0865 57.5597 63.3065 174.3678 25 I 3.9917 8.2045 125.6190 62.2757 38.1525 176.0938 26 V 3.4527 7.4681 120.5564 61.9452 31.4681 176.0155 27 G 3.7560 7.7248 113.8090 44.5417 0.0000 170.3614 28 S 4.8206 7.4024 115.5898 56.5599 64.8965 173.6673 29 W 5.1135 8.9893 124.9944 54.9622 31.7404 175.2225 30 V 5.3081 9.2038 117.4676 59.6789 35.9951 174.1598 31 E 5.1981 9.6320 119.8007 53.7540 33.4635 173.2211 32 P 4.7834 0.0000 0.0000 62.6465 32.5251 176.4787 33 V 3.9220 8.5409 123.6291 61.5690 32.4239 173.9119 34 P 4.3555 0.0000 0.0000 64.2720 31.5630 176.9819 35 G 3.9628 9.2292 110.1518 45.7117 0.0000 173.8391 36 L 4.5491 8.0415 123.9790 52.8128 42.4032 174.4424 37 E 4.0784 8.3816 118.0422 57.2132 30.1455 177.4596 38 G 4.0776 9.2453 111.9532 44.0742 0.0000 172.7542 39 Q 4.8610 7.6944 117.1073 54.0824 32.4402 174.9250 40 V 5.2279 8.2830 113.2899 59.9497 35.7006 174.8135 41 Q 4.7505 8.9728 119.3776 54.5770 32.1909 174.8537 42 G 4.2829 7.8961 107.5055 46.4074 0.0000 171.4940 43 I 5.0231 7.7323 122.2166 59.2774 42.0377 175.2762 44 K 4.9282 8.6818 129.5814 53.8429 35.6069 174.1820 *46 E 4.5341 8.3983 118.9438 55.6890 31.1942 175.6520 47 E 4.4003 8.8549 122.8932 58.1361 30.1124 177.2591 48 G 3.8906 8.7055 114.2351 44.6778 0.0000 174.1855 49 G 3.1700 8.1772 107.5015 44.4879 0.0000 173.6313 50 V 4.1774 7.6791 119.8770 62.8194 32.4021 174.9679 51 A 5.4047 8.8818 128.8987 50.3990 22.5509 174.9458 52 S 5.2127 8.8022 113.4245 56.2429 66.8658 173.8496 53 S 4.9285 8.9011 117.6840 58.7133 64.0740 173.9746 54 V 4.0388 8.8468 123.4036 61.8543 33.2155 172.9464 55 N 4.5390 8.7953 127.0889 53.6981 35.0963 173.6764 *57 A 4.4377 8.0772 122.7004 52.3934 21.1126 178.7306 58 T 4.2433 7.8011 111.6273 65.9494 69.7154 174.2347 59 L 4.4545 7.8722 125.3578 54.1001 42.3391 176.2552 60 V 4.2539 8.6628 128.5100 61.1864 32.9154 174.3775 61 Y 4.7731 8.7884 126.4642 58.1896 38.9051 176.5103 62 E 4.7994 9.8058 119.7415 56.1133 33.4369 175.6795 63 S 5.3735 7.8395 110.2777 57.1879 66.7730 173.5607 64 W 5.7898 8.5986 117.0899 55.2930 31.4351 174.2997 65 K 4.2007 9.0012 121.0624 55.3688 35.6702 173.9198 66 Q 5.0870 8.7927 128.3972 54.5774 30.8789 174.5220 67 E 4.5288 9.0224 125.9690 55.0865 32.2241 176.2423 68 G 4.0151 8.2675 116.4418 47.3436 0.0000 173.3734 69 T 4.3549 8.4818 115.4266 61.3126 69.2016 173.8349 70 K 4.8080 8.2241 122.8358 55.2438 34.5102 175.1076 71 L 5.0977 8.4162 124.6749 53.4349 45.2216 174.7725 72 I 4.8018 8.9909 127.8670 59.7936 39.4321 174.4720 73 L 5.4690 9.3554 128.2838 53.1206 44.2717 175.8689 74 T 4.8092 8.6783 113.8004 60.1318 72.1095 174.5231 75 G 3.5017 6.5447 108.6840 45.6899 0.0000 171.9756 76 K 5.0206 7.9528 118.4040 54.7454 37.0028 175.4442 77 S 5.2080 9.3636 118.8901 56.8395 64.0185 172.7804 78 I 5.0137 8.9054 127.8805 58.8979 40.5438 175.3593 79 G 3.9430 9.1135 116.4022 46.4528 0.0000 172.0690 80 N 4.2393 9.5903 114.8829 54.1442 36.0869 175.2711 81 G 3.9809 8.6026 102.6067 46.0768 0.0000 173.9692 82 Q 4.6295 8.0651 116.3031 54.2451 31.7721 173.7266 83 T 5.0747 8.3980 114.8414 61.8880 71.6539 173.3677 84 I 4.5223 8.6761 127.2950 59.2866 39.8714 175.1705 85 E 4.6873 8.9220 127.2361 56.3323 30.3410 176.2982 86 F 5.1327 8.9561 117.3017 55.2260 42.1601 173.8421 87 V 4.7339 8.6324 118.8921 61.6382 33.9573 174.0527 88 D 5.2082 9.8633 128.4939 52.9615 43.5662 175.8607 89 T 5.3091 8.3086 117.7973 60.9649 72.2744 173.1599 *91 D 4.3959 8.3338 121.2935 54.3928 42.7071 174.9777 92 I 4.3269 8.6304 124.9556 60.8889 36.9206 175.9439 93 K 4.3007 9.0975 127.9605 58.0551 33.1899 177.5107 94 R 4.5693 7.5701 118.4940 55.1029 33.6724 173.9475 95 L 4.7851 8.3642 128.1375 54.4787 43.5374 174.2435 96 T 4.7646 9.0698 117.1794 59.4520 71.9462 174.3943 97 A 4.2462 8.7919 123.0153 54.8761 18.5579 178.0938 98 D 4.9514 7.8066 110.8772 54.5538 42.7611 176.0041 99 S 5.4917 8.4011 114.5573 56.9066 68.0845 172.9998 100 L 4.6816 8.6932 123.7892 53.5034 45.4203 174.8237 101 V 4.7733 8.7656 126.5548 61.0463 34.2882 173.9899 102 L 5.1318 8.7582 127.7513 52.8825 44.8447 174.9468 103 D 4.9743 9.0603 123.3519 52.7224 42.8700 175.4016 104 N 4.5754 8.8501 125.8872 52.3337 38.9599 173.9620 105 Q 3.1248 9.6559 130.3987 56.8891 28.0538 174.3038 106 G 3.6230 8.3504 102.7258 45.7244 0.0000 172.7577 *108 E 4.2873 7.4528 116.8153 56.0931 31.4069 175.5975 109 I 4.3303 8.8106 126.9917 59.4006 40.3430 174.5615 110 R 4.7409 8.3683 125.7011 54.8372 31.8516 174.8791 111 Y 5.2832 9.1334 122.0699 56.2030 41.3915 174.8015 112 A 5.4472 9.0894 123.0275 49.7169 22.5176 175.6840 113 K 3.6498 8.8069 123.3427 56.1674 32.6013 176.6285 114 Q 4.0578 8.9152 132.4854 56.4961 29.8143 176.9560 115 K 4.1507 8.4730 125.8343 54.9004 31.8430 175.2226 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 8.21 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 *23 A 8.11 4.20 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 24 S 8.38 4.51 0.00 3.89 3.81 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 25 I 8.20 3.99 1.76 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 0.95 0.59 0.39 0.00 0.00 26 V 7.47 3.45 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 0.80 0.00 0.00 1.06 0.00 0.00 27 G 7.72 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 28 S 7.40 4.82 0.00 3.56 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 29 W 8.99 5.11 0.00 2.77 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 30 V 9.20 5.31 2.16 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 0.79 0.00 0.00 1.03 0.00 0.00 31 E 9.63 5.20 0.00 1.94 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 0.00 2.57 2.35 0.00 32 P 0.00 4.78 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 33 V 8.54 3.92 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 0.95 0.00 0.00 0.99 0.00 0.00 34 P 0.00 4.36 0.00 2.08 1.99 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 35 G 9.23 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 36 L 8.04 4.55 0.00 1.67 1.50 0.93 0.86 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 37 E 8.38 4.08 0.00 2.02 1.75 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 2.24 1.90 0.00 38 G 9.25 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 0.00 0.00 0.00 0.00 39 Q 7.69 4.86 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 40 V 8.28 5.23 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 0.78 0.00 0.00 0.95 0.00 0.00 41 Q 8.97 4.75 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 42 G 7.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 5.02 1.61 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.38 0.51 0.00 0.00 44 K 8.68 4.93 0.00 1.79 1.65 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.15 7.81 *46 E 8.40 4.53 0.00 2.24 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 2.39 0.00 47 E 8.85 4.40 0.00 2.02 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 0.00 2.37 2.43 0.00 48 G 8.71 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 49 G 8.18 3.17 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 50 V 7.68 4.18 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 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.88 5.40 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 52 S 8.80 5.21 0.00 3.92 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 53 S 8.90 4.93 0.00 3.87 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 54 V 8.85 4.04 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 0.99 0.00 0.00 0.93 0.00 0.00 55 N 8.80 4.54 0.00 3.04 2.87 0.00 0.00 7.09 7.35 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 *57 A 8.08 4.44 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 58 T 7.80 4.24 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 1.26 0.00 0.00 59 L 7.87 4.45 0.00 1.54 1.55 0.51 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.66 4.25 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 1.02 0.00 0.00 1.01 0.00 0.00 61 Y 8.79 4.77 0.00 3.09 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 62 E 9.81 4.80 0.00 1.91 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 2.22 2.03 0.00 63 S 7.84 5.37 0.00 3.96 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 64 W 8.60 5.79 0.00 3.41 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 65 K 9.00 4.20 0.00 1.69 1.60 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.23 7.81 66 Q 8.79 5.09 0.00 2.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 67 E 9.02 4.53 0.00 2.03 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 2.21 2.22 0.00 68 G 8.27 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 69 T 8.48 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 70 K 8.22 4.81 0.00 1.82 1.78 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 71 L 8.42 5.10 0.00 1.74 1.50 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.99 4.80 1.93 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 1.28 1.09 0.97 0.00 0.00 73 L 9.36 5.47 0.00 1.85 1.90 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.68 4.81 4.12 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 0.00 0.00 1.22 0.00 0.00 75 G 6.54 3.50 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 0.00 0.00 0.00 76 K 7.95 5.02 0.00 1.61 1.64 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.30 7.81 77 S 9.36 5.21 0.00 3.92 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 78 I 8.91 5.01 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.92 0.00 0.00 79 G 9.11 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 0.00 0.00 0.00 80 N 9.59 4.24 0.00 2.87 2.90 0.00 0.00 6.94 7.65 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 81 G 8.60 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 82 Q 8.07 4.63 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 83 T 8.40 5.07 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 84 I 8.68 4.52 1.93 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 1.25 0.78 0.97 0.00 0.00 85 E 8.92 4.69 0.00 1.85 1.82 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 2.30 2.23 0.00 86 F 8.96 5.13 0.00 3.01 3.08 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 0.00 87 V 8.63 4.73 2.16 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 0.91 0.00 0.00 0.95 0.00 0.00 88 D 9.86 5.21 0.00 2.77 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 89 T 8.31 5.31 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 *91 D 8.33 4.40 0.00 2.61 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 92 I 8.63 4.33 1.92 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 1.15 0.53 0.82 0.00 0.00 93 K 9.10 4.30 0.00 1.64 1.82 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 94 R 7.57 4.57 0.00 1.81 1.65 0.00 3.15 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 95 L 8.36 4.79 0.00 1.49 1.45 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.07 4.76 4.29 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 1.23 0.00 0.00 97 A 8.79 4.25 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 98 D 7.81 4.95 0.00 2.75 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 99 S 8.40 5.49 0.00 3.77 3.72 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 0.00 0.00 0.00 100 L 8.69 4.68 0.00 0.27 0.55 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.77 4.77 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 0.77 0.00 0.00 0.88 0.00 0.00 102 L 8.76 5.13 0.00 1.55 1.49 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 103 D 9.06 4.97 0.00 2.58 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 0.00 0.00 0.00 0.00 104 N 8.85 4.58 0.00 2.70 2.71 0.00 0.00 7.35 7.08 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 0.00 105 Q 9.66 3.12 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 106 G 8.35 3.62 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 0.00 *108 E 7.45 4.29 0.00 1.97 1.86 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 2.11 2.28 0.00 109 I 8.81 4.33 1.56 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 1.11 0.33 -0.03 0.00 0.00 110 R 8.37 4.74 0.00 1.58 1.80 0.00 3.25 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 111 Y 9.13 5.28 0.00 2.93 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 0.00 112 A 9.09 5.45 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 0.00 113 K 8.81 3.65 0.00 1.41 1.56 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.14 1.02 7.81 114 Q 8.92 4.06 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 115 K 8.47 4.15 0.00 1.82 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.