NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1537 8.0393 114.0628 61.5459 33.1552 174.9923 4 T 4.5682 7.9915 113.4958 59.1475 72.6202 173.6347 5 Y 4.2086 8.7035 122.7052 60.7392 39.2729 179.0140 6 E 3.8017 8.2447 119.9035 59.3338 29.7245 178.9292 7 K 4.0673 8.0601 118.3045 59.6525 32.1239 179.5237 8 T 3.9258 8.1971 116.2953 66.6184 68.4041 176.4650 9 F 3.8190 8.3918 122.9498 61.0362 39.3037 176.7018 10 E 3.9951 8.2467 119.0015 59.5236 29.3646 178.9336 11 I 3.5848 8.0098 120.0284 64.2221 37.2293 178.0467 12 E 3.7737 8.0522 120.2300 59.1532 29.3186 179.0417 13 I 3.4875 7.4211 119.7952 64.1932 37.1736 178.2725 14 I 3.5223 7.6188 120.7207 64.6333 36.8534 178.1938 15 N 4.1518 8.0878 117.1528 56.1806 38.1686 177.4678 16 E 3.8169 7.8438 119.5459 59.2164 29.6308 179.1127 17 L 3.9055 8.0189 120.9586 58.1019 42.2060 179.0709 18 S 2.9761 7.9983 114.3364 60.9589 62.4118 176.3502 19 A 3.9665 7.4447 124.1860 54.7095 18.1007 179.5697 20 S 4.0026 7.6780 111.4569 61.5323 62.5173 176.6715 21 V 3.6442 7.9007 120.8921 66.1245 31.3772 177.3104 22 Y 4.0883 8.6215 119.6212 60.9619 38.6755 177.7597 23 N 4.3988 8.6424 117.7111 56.2072 38.5955 177.3326 24 R 3.8679 7.9677 119.9985 59.4562 30.1805 178.8038 25 V 3.4768 7.6524 117.9366 65.7670 31.4472 177.6160 26 L 3.7696 8.1005 120.3212 58.2464 41.9281 178.5167 27 N 4.2866 8.4819 116.7609 56.5496 38.4097 176.7220 28 Y 3.9497 8.0082 120.6149 60.7241 38.9842 178.0776 29 V 3.7157 8.1164 119.2264 66.1577 31.6134 178.0379 30 L 3.9962 8.2023 118.7301 57.9708 41.3007 179.2089 31 N 4.3036 8.4226 115.5206 56.1675 38.4892 176.1809 32 H 4.4182 8.1516 115.0212 54.3495 29.1896 174.7863 33 E 3.8288 7.9984 119.1565 57.0778 27.6683 175.1047 34 L 4.1041 7.7553 117.2036 54.1112 42.6181 176.9349 35 N 4.3719 8.6671 120.8891 53.6652 38.5396 175.6969 36 K 4.1170 8.6831 126.2242 58.8145 32.3300 177.7211 37 N 4.7574 8.4571 115.1565 52.8187 38.8170 174.8427 38 D 4.7776 7.8786 120.9913 52.1289 40.6376 176.6868 39 S 4.3965 8.3516 118.9505 59.5267 63.4265 175.7556 40 Q 4.0702 8.1486 122.6575 58.6273 29.2150 176.8227 41 L 4.1104 7.8301 119.1564 54.1775 42.5286 177.1927 42 L 3.9460 8.7521 125.9848 58.7700 42.0005 179.0281 43 E 3.9634 8.1166 117.4980 59.0739 29.3899 179.2447 44 V 3.6994 7.7292 118.1397 65.6043 31.7150 177.4167 45 N 4.2925 8.5804 117.4652 56.5054 38.7569 176.6217 46 L 3.9972 7.9342 121.7276 58.0319 42.1695 178.4935 47 L 3.9547 7.9636 120.2679 58.5342 41.9908 178.8266 48 N 4.4413 8.5020 116.3753 56.4265 38.3883 177.4969 49 Q 4.0905 8.2376 119.6114 58.9042 28.7928 178.7279 50 L 4.2524 8.3063 120.2764 57.7192 41.4685 179.6355 51 K 4.1063 8.2965 117.9651 59.3868 32.2164 178.7931 52 L 4.0995 8.0482 120.4512 58.0899 42.1311 178.8407 53 A 3.8914 8.1878 120.8320 55.0454 18.1222 179.2769 54 K 4.2531 8.1111 114.5504 58.1375 32.3389 178.9312 55 R 4.1101 7.6154 117.5149 56.8882 30.4705 177.2348 56 V 3.6454 6.5780 111.5437 60.9540 32.3604 175.7770 57 N 4.4850 8.0733 121.4075 51.8043 38.4670 175.6153 58 L 3.4843 7.6701 126.8158 57.0465 41.8709 179.4230 59 F 4.5313 7.4619 115.7572 59.1160 38.8612 175.3257 60 D 4.7537 7.7431 119.0363 54.3051 41.5890 175.6635 61 Y 5.0006 7.4130 116.0903 57.8175 39.2247 176.0430 62 S 4.5435 8.9287 118.7427 57.6289 65.5589 175.2724 63 L 4.0127 8.3810 122.8847 58.3556 41.8564 178.6801 64 E 4.2772 8.0102 119.4238 59.0207 29.4814 179.0335 65 E 3.8981 8.1163 118.3664 59.2089 29.3449 179.4239 66 L 4.1896 8.1008 119.2745 57.8934 41.1548 179.5162 67 Q 4.2984 8.3709 117.8986 58.6829 28.5130 178.6242 68 A 4.0401 7.9923 121.8603 55.1291 18.4501 179.7955 69 V 3.6125 8.0512 116.8957 66.4172 31.6524 177.6608 70 H 4.3992 8.8354 118.4711 59.4502 29.7116 176.8961 71 E 3.9853 8.3627 121.1747 59.1530 29.3517 177.8661 72 Y 3.9173 8.2174 119.9292 60.8112 38.8263 178.5948 73 W 4.1031 8.3263 119.4023 59.4902 29.0982 178.9519 74 R 4.0445 8.0798 118.5836 59.2475 29.5671 179.1469 75 S 4.1083 8.4288 114.5406 61.8046 62.8951 176.4591 76 M 4.2713 8.0187 122.2969 57.4826 31.0785 178.3218 77 N 4.3606 8.1651 117.7138 56.6763 38.7851 177.1604 78 R 3.9219 8.0088 119.4000 59.4632 30.2178 178.4104 79 Y 3.9830 8.4749 119.9205 60.6885 38.7867 178.1497 80 S 3.8033 8.3852 115.5398 61.4590 62.7643 176.6702 81 K 3.9091 7.4686 120.2461 58.6269 31.7193 178.8092 82 Q 4.0262 6.9688 118.9206 59.0634 29.2948 178.0835 83 V 3.5578 6.8669 111.7455 63.3369 32.8160 177.4261 84 L 3.4705 7.0327 119.8174 53.6708 39.6680 175.7850 85 N 4.5382 7.7658 119.4773 55.4654 40.1352 175.8298 86 K 4.0156 7.6572 116.4231 56.8068 32.6948 176.6055 87 E 4.4013 8.2753 123.3625 54.3048 31.8021 174.9951 88 K 4.0279 8.5799 114.3713 56.4440 31.9661 176.6954 89 V 3.7170 7.6516 112.1206 60.4026 30.3136 176.5568 *90 A 4.1104 7.6366 126.0184 52.4686 18.7144 176.8663 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 3 V 8.04 4.15 2.15 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 0.96 0.00 0.00 0.95 0.00 0.00 4 T 7.99 4.57 4.32 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 1.26 0.00 0.00 5 Y 8.70 4.21 0.00 3.10 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 6 E 8.24 3.80 0.00 2.10 1.96 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 2.40 2.40 0.00 7 K 8.06 4.07 0.00 2.07 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 8 T 8.20 3.93 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 1.31 0.00 0.00 9 F 8.39 3.82 0.00 2.39 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 10 E 8.25 4.00 0.00 2.36 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 0.00 2.38 2.45 0.00 11 I 8.01 3.58 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.67 0.00 0.00 12 E 8.05 3.77 0.00 1.95 1.70 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 2.17 2.38 0.00 13 I 7.42 3.49 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.65 0.81 0.00 0.00 14 I 7.62 3.52 1.89 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 1.57 0.60 0.81 0.00 0.00 15 N 8.09 4.15 0.00 2.56 2.71 0.00 0.00 7.12 8.11 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 16 E 7.84 3.82 0.00 2.07 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 0.00 2.24 2.35 0.00 17 L 8.02 3.91 0.00 1.71 1.57 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.00 2.98 0.00 2.72 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 19 A 7.44 3.97 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 20 S 7.68 4.00 0.00 3.85 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 21 V 7.90 3.64 2.46 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 1.20 0.00 0.00 1.29 0.00 0.00 22 Y 8.62 4.09 0.00 3.21 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 23 N 8.64 4.40 0.00 2.89 2.89 0.00 0.00 6.72 8.08 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 24 R 7.97 3.87 0.00 2.01 2.13 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 25 V 7.65 3.48 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 0.85 0.00 0.00 0.97 0.00 0.00 26 L 8.10 3.77 0.00 1.30 1.64 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.48 4.29 0.00 3.03 2.90 0.00 0.00 6.72 7.16 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 28 Y 8.01 3.95 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 29 V 8.12 3.72 2.23 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 1.01 0.00 0.00 1.00 0.00 0.00 30 L 8.20 4.00 0.00 1.72 1.69 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.42 4.30 0.00 2.69 2.83 0.00 0.00 7.08 8.19 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 32 H 8.15 4.42 0.00 2.94 3.20 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.00 3.83 0.00 2.06 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 2.23 2.21 0.00 34 L 7.76 4.10 0.00 1.70 1.64 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.67 4.37 0.00 2.73 2.75 0.00 0.00 7.18 6.33 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 36 K 8.68 4.12 0.00 1.81 1.89 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 37 N 8.46 4.76 0.00 2.87 2.84 0.00 0.00 6.73 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 38 D 7.88 4.78 0.00 2.67 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 39 S 8.35 4.40 0.00 4.03 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 40 Q 8.15 4.07 0.00 2.05 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 41 L 7.83 4.11 0.00 1.87 1.62 1.00 0.23 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 42 L 8.75 3.95 0.00 1.76 1.68 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.12 3.96 0.00 2.15 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 1.88 2.17 0.00 44 V 7.73 3.70 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 1.22 0.00 0.00 1.00 0.00 0.00 45 N 8.58 4.29 0.00 3.05 3.00 0.00 0.00 6.79 6.21 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 46 L 7.93 4.00 0.00 1.92 1.84 1.07 0.53 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 47 L 7.96 3.95 0.00 1.88 1.87 0.57 0.50 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 48 N 8.50 4.44 0.00 2.96 2.90 0.00 0.00 7.09 7.82 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 49 Q 8.24 4.09 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 50 L 8.31 4.25 0.00 2.25 2.33 1.15 0.72 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 51 K 8.30 4.11 0.00 2.03 1.96 0.00 1.99 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.99 7.81 52 L 8.05 4.10 0.00 1.93 1.87 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.19 3.89 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 54 K 8.11 4.25 0.00 1.88 1.79 0.00 1.36 0.00 0.00 1.25 0.00 0.00 2.72 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.42 1.92 7.81 55 R 7.62 4.11 0.00 1.87 1.96 0.00 3.17 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 56 V 6.58 3.65 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 0.69 0.00 0.00 0.92 0.00 0.00 57 N 8.07 4.48 0.00 2.73 2.62 0.00 0.00 7.02 6.66 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 58 L 7.67 3.48 0.00 1.11 1.39 0.72 0.95 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 59 F 7.46 4.53 0.00 3.23 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 60 D 7.74 4.75 0.00 2.67 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 61 Y 7.41 5.00 0.00 3.11 2.78 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 62 S 8.93 4.54 0.00 4.06 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 63 L 8.38 4.01 0.00 1.81 1.73 0.97 0.95 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 64 E 8.01 4.28 0.00 2.07 1.96 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 2.39 2.32 0.00 65 E 8.12 3.90 0.00 2.09 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 2.06 2.20 0.00 66 L 8.10 4.19 0.00 1.95 1.79 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.37 4.30 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 68 A 7.99 4.04 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 69 V 8.05 3.61 2.43 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 1.31 0.00 0.00 1.20 0.00 0.00 70 H 8.84 4.40 0.00 3.50 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.36 3.99 0.00 2.17 2.15 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 2.31 2.37 0.00 72 Y 8.22 3.92 0.00 2.98 2.95 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 0.00 0.00 0.00 73 W 8.33 4.10 0.00 3.75 3.33 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 74 R 8.08 4.04 0.00 2.08 2.00 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 75 S 8.43 4.11 0.00 3.88 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 76 M 8.02 4.27 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 77 N 8.17 4.36 0.00 3.12 3.07 0.00 0.00 7.06 6.93 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 78 R 8.01 3.92 0.00 2.12 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 79 Y 8.47 3.98 0.00 2.96 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 80 S 8.39 3.80 0.00 3.96 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 0.00 81 K 7.47 3.91 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.68 7.81 82 Q 6.97 4.03 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 83 V 6.87 3.56 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 0.04 0.00 0.00 0.35 0.00 0.00 84 L 7.03 3.47 0.00 1.47 1.22 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.77 4.54 0.00 2.60 2.81 0.00 0.00 7.32 6.68 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 86 K 7.66 4.02 0.00 1.83 1.77 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 87 E 8.28 4.40 0.00 1.94 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 2.23 2.29 0.00 88 K 8.58 4.03 0.00 1.88 2.17 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.86 1.22 7.81 89 V 7.65 3.72 2.03 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 0.67 0.00 0.00 0.87 0.00 0.00 *90 A 7.64 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.