NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3975 8.2544 120.8641 55.8591 32.9733 175.4267 7 S 4.8478 7.5265 118.8917 56.9855 60.9749 174.0691 8 S 5.0023 8.5539 108.4150 56.6363 64.5176 173.1749 9 T 4.6241 8.0688 109.3755 61.1614 72.1771 173.7167 10 G 3.9000 8.8603 110.9928 44.2918 0.0000 173.3144 11 F 4.8767 7.9071 119.8258 58.1938 41.5552 175.5448 12 L 4.0697 6.7135 117.6501 53.2611 43.9766 176.6275 13 V 4.3010 7.0521 112.4801 59.8950 33.7608 172.7644 14 K 3.7944 8.4402 123.8606 57.1369 33.2323 177.4965 15 Q 3.8720 8.8194 124.0879 59.3598 29.0230 178.7012 16 R 4.3034 8.3162 119.6374 57.9175 30.1145 178.6140 17 A 4.1388 7.9415 120.5480 55.1421 18.3629 178.9092 18 F 4.0173 8.4851 119.3300 61.7042 39.4277 177.3958 19 L 4.3332 8.4704 118.3517 57.8760 41.4922 179.4621 20 K 3.9424 8.3193 118.4570 59.5576 32.0366 178.5006 21 L 3.9711 8.3699 120.6129 58.9108 41.8713 178.6041 22 Y 3.9300 7.9481 115.9168 61.4832 37.6912 178.8208 23 M 4.0875 8.1065 118.2097 58.4092 32.2611 178.6023 24 I 4.0212 7.9495 119.7926 64.9250 37.2207 178.6880 25 T 4.1296 7.8976 114.4154 66.1422 68.2574 175.7378 26 M 4.3374 7.8819 119.2561 56.7860 32.8172 178.3203 27 T 3.8718 7.9294 116.7518 65.5511 68.8465 174.9786 28 E 4.3317 7.7790 118.6285 57.7861 30.4331 177.2206 29 Q 3.9929 8.6709 120.4813 54.8944 26.7445 173.9333 30 E 3.7331 7.6463 114.0068 57.0949 28.0299 174.7421 31 R 4.4193 7.6469 113.2430 56.3072 29.8859 177.3748 32 L 4.3758 7.2793 123.4215 54.5294 40.9397 172.8120 33 Y 5.1402 7.9734 119.5220 55.6276 39.9529 176.5852 34 G 4.1072 9.2963 112.2205 48.4259 0.0000 174.7443 35 L 4.4839 8.3233 122.4240 55.9487 41.2447 178.3063 36 K 4.2514 9.6028 114.3691 57.3476 32.1856 177.3310 37 L 3.7119 7.9726 121.5661 58.2101 42.1345 178.4107 38 L 3.8850 8.1275 119.5163 58.3872 42.0172 179.3476 39 K 3.9292 8.0278 117.4633 59.4252 32.0614 179.0257 40 V 3.5273 7.8167 118.3446 66.1865 31.0584 177.9225 41 L 3.7315 7.9317 118.3537 58.0372 41.6433 179.7447 42 Q 3.7513 8.0714 117.7545 58.8284 28.3228 178.7949 43 S 4.0988 7.7686 113.6571 61.1122 62.5011 175.4098 44 E 3.8110 8.2219 120.9159 58.4622 29.4736 177.7798 45 F 5.0123 7.2843 114.0906 56.7034 40.8307 174.5988 46 K 4.1055 7.8522 121.9315 58.6251 31.5296 174.9989 47 E 5.5280 8.5263 135.0000 56.8162 27.3823 177.4376 48 I 4.2519 7.5331 110.9483 59.8909 38.3127 176.1075 49 G 4.0159 8.2421 106.8431 47.1587 0.0000 174.0908 50 F 4.8437 7.8354 116.8234 56.3576 42.2553 173.9809 51 K 4.1408 8.1715 129.4557 52.8371 32.1342 172.2255 52 P 3.9165 0.0000 0.0000 62.1338 31.9880 177.5189 53 N 4.6949 8.4334 120.6570 51.8909 40.0526 175.2634 54 H 4.1861 8.7794 119.0145 60.0456 29.6556 176.5980 55 T 3.9533 8.1318 116.5199 66.9505 68.2856 176.1119 56 E 3.9592 9.0311 120.3677 59.3664 29.4719 179.3690 57 V 3.4598 7.5334 117.7853 66.5365 31.5770 177.6786 58 Y 3.8437 7.9413 115.4078 60.1888 37.7260 178.3024 59 R 3.9988 8.3430 120.0830 59.1011 29.7136 178.7666 60 S 4.1261 8.3111 115.3775 61.6736 62.6956 176.6899 61 L 3.7986 7.8380 122.8926 58.4093 41.7627 178.6716 62 H 4.5471 8.1330 116.0541 58.5159 28.6712 177.4982 63 E 3.9668 8.3226 120.6897 59.5171 29.3002 179.4020 64 L 3.9604 7.6438 117.9935 57.3812 41.5994 179.5735 65 L 4.2587 7.6147 117.9605 57.8504 41.4136 179.0573 66 D 4.4603 8.0909 117.9900 57.0345 40.6540 177.4249 67 D 4.8383 8.3147 118.3613 53.4523 40.9509 177.3214 68 G 4.1528 7.9826 106.4020 46.5792 0.0000 176.1747 69 I 3.9402 7.5789 120.5125 63.9348 37.8013 176.3436 70 L 5.2210 8.1801 120.2752 53.0896 43.9268 175.9218 71 K 4.8321 9.2277 119.1081 55.4424 36.4104 175.2036 72 Q 4.6327 8.6688 119.8988 54.0555 30.3074 174.9922 73 I 4.2950 8.2601 122.1757 61.6327 40.2585 178.1372 *84 E 4.4547 9.0305 126.2206 57.4133 30.2889 175.9043 85 V 4.3832 7.5284 134.9316 61.8192 30.4840 180.2349 86 V 4.6962 8.5649 119.1072 59.7685 34.2037 172.2685 87 L 4.9722 8.4258 128.9699 53.5314 45.2021 174.0606 88 Y 5.6569 7.9514 119.7521 55.4798 40.6305 175.1520 89 Q 4.5529 8.3895 121.0922 53.4128 33.4790 174.4205 90 F 4.6085 8.3994 119.2980 57.9426 38.9083 175.6701 91 K 4.0621 9.2780 127.0638 58.7979 32.2171 177.3867 92 D 4.8800 8.0855 123.9723 51.7999 41.2202 175.5396 93 Y 4.0115 8.3502 126.0085 60.1727 38.9398 176.2816 94 E 3.7046 8.3129 118.9846 59.3479 29.5258 178.5799 95 A 3.9416 8.1129 119.7471 55.4710 18.4823 179.5379 96 A 3.9253 7.6987 118.5972 55.1589 18.1448 179.4193 97 K 3.3684 7.9679 118.4163 59.7312 32.1292 178.4828 98 L 3.8725 7.6892 120.2358 58.3655 41.7967 178.3077 99 Y 3.9980 7.9293 119.4493 60.5801 38.6478 178.2124 100 K 3.8974 8.1677 119.5234 59.3581 31.7835 179.4937 101 K 3.9399 7.6432 118.1789 59.1597 32.0030 179.4447 102 Q 3.9802 7.7627 118.7340 58.5545 28.5004 178.4661 103 L 3.8645 7.2480 120.1834 57.1543 41.7010 178.9940 104 K 3.7363 8.0247 119.8093 59.5283 31.9898 178.9314 105 V 3.4883 7.3094 116.8845 66.1023 31.5098 177.6293 106 E 3.8963 7.8851 117.9413 59.6715 29.3222 179.5766 107 L 4.0172 8.5174 119.0828 57.6643 41.6718 179.2437 108 D 4.3055 8.0667 118.9844 57.2012 40.6990 178.5831 109 R 3.8284 8.0707 119.2508 59.8414 30.0712 178.2436 110 C 4.0126 8.0819 116.2813 62.5776 28.0830 176.0789 111 K 3.8753 8.3623 121.4227 59.4811 31.8209 178.9305 112 K 3.9290 8.4290 119.1039 59.4458 31.9736 179.0477 113 L 3.9929 8.2518 120.8998 58.1852 41.9939 179.1421 114 I 3.7201 7.7681 119.7446 64.4677 36.9921 178.2313 115 E 4.0550 8.2180 119.4636 59.1931 29.2437 179.3353 116 K 3.9024 8.5956 119.8856 59.4749 32.4135 178.7300 117 A 4.0538 8.0495 121.0136 55.1360 18.4404 179.5623 118 L 4.2148 8.5517 117.8727 58.1971 41.5140 179.7776 119 S 4.3253 8.1981 111.9491 61.3602 62.4586 175.5370 120 D 4.5198 8.5700 121.2102 56.4786 40.6352 177.4325 121 N 4.6849 7.7700 113.1191 52.8489 39.4171 174.8101 122 F 4.4435 7.7801 123.6362 57.8925 40.3697 174.0474 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 6 R 8.25 4.40 0.00 1.81 2.03 0.00 3.39 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 S 7.53 4.85 0.00 3.99 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 8 S 8.55 5.00 0.00 4.03 4.04 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 9 T 8.07 4.62 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 1.30 0.00 0.00 10 G 8.86 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 11 F 7.91 4.88 0.00 2.78 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 12 L 6.71 4.07 0.00 1.20 1.26 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.05 4.30 2.19 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 0.82 0.00 0.00 0.97 0.00 0.00 14 K 8.44 3.79 0.00 1.87 1.87 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.54 7.81 15 Q 8.82 3.87 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 16 R 8.32 4.30 0.00 1.96 2.02 0.00 3.57 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 17 A 7.94 4.14 1.45 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 0.00 0.00 18 F 8.49 4.02 0.00 3.22 3.27 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 0.00 19 L 8.47 4.33 0.00 1.88 1.82 1.01 0.94 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 20 K 8.32 3.94 0.00 2.29 2.02 0.00 1.89 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.56 7.81 21 L 8.37 3.97 0.00 1.68 1.88 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.95 3.93 0.00 3.35 3.11 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 23 M 8.11 4.09 0.00 1.90 2.26 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 24 I 7.95 4.02 2.19 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.86 1.27 0.00 0.00 25 T 7.90 4.13 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 1.16 0.00 0.00 26 M 7.88 4.34 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.63 0.00 27 T 7.93 3.87 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 0.38 0.00 0.00 28 E 7.78 4.33 0.00 2.05 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 2.64 2.94 0.00 29 Q 8.67 3.99 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.13 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 30 E 7.65 3.73 0.00 2.05 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 2.20 2.17 0.00 31 R 7.65 4.42 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 32 L 7.28 4.38 0.00 1.73 1.54 0.69 0.86 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 33 Y 7.97 5.14 0.00 3.08 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 34 G 9.30 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 35 L 8.32 4.48 0.00 1.75 1.08 0.92 0.82 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 36 K 9.60 4.25 0.00 1.87 1.81 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.49 7.81 37 L 7.97 3.71 0.00 2.01 1.67 0.88 0.20 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 38 L 8.13 3.88 0.00 1.98 1.80 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.03 3.93 0.00 2.08 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.56 7.81 40 V 7.82 3.53 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 0.99 0.00 0.00 0.95 0.00 0.00 41 L 7.93 3.73 0.00 1.68 1.73 0.86 0.88 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 42 Q 8.07 3.75 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 43 S 7.77 4.10 0.00 4.04 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 44 E 8.22 3.81 0.00 1.16 1.12 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 2.19 2.10 0.00 45 F 7.28 5.01 0.00 3.23 3.11 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 46 K 7.85 4.11 0.00 1.94 1.77 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 47 E 8.53 5.53 0.00 2.12 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 2.10 2.05 0.00 48 I 7.53 4.25 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.95 0.00 0.00 49 G 8.24 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 50 F 7.84 4.84 0.00 2.66 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 51 K 8.17 4.14 0.00 1.63 1.58 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.31 7.81 52 P 0.00 3.92 0.00 2.07 1.70 0.00 3.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 53 N 8.43 4.69 0.00 3.04 3.00 0.00 0.00 5.87 7.90 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 54 H 8.78 4.19 0.00 3.33 3.43 0.00 5.89 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 55 T 8.13 3.95 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 1.26 0.00 0.00 56 E 9.03 3.96 0.00 1.95 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 0.00 2.54 2.51 0.00 57 V 7.53 3.46 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 0.40 0.00 0.00 0.88 0.00 0.00 58 Y 7.94 3.84 0.00 3.12 2.86 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 59 R 8.34 4.00 0.00 1.99 1.99 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 60 S 8.31 4.13 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.84 3.80 0.00 1.45 1.58 0.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.13 4.55 0.00 3.29 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.32 3.97 0.00 2.16 1.98 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 2.34 2.38 0.00 64 L 7.64 3.96 0.00 1.76 1.63 0.86 0.40 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 65 L 7.61 4.26 0.00 1.89 1.76 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.09 4.46 0.00 2.86 2.74 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 67 D 8.31 4.84 0.00 2.69 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 68 G 7.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.58 3.94 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 1.06 0.00 0.00 70 L 8.18 5.22 0.00 1.42 1.58 0.63 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.23 4.83 0.00 1.74 1.89 0.00 1.31 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.40 7.81 72 Q 8.67 4.63 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 73 I 8.26 4.30 1.79 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 1.50 0.88 0.00 0.00 *84 E 9.03 4.45 0.00 2.09 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 0.00 2.17 2.30 0.00 85 V 7.53 4.38 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 0.74 0.00 0.00 0.95 0.00 0.00 86 V 8.56 4.70 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 1.16 0.00 0.00 0.93 0.00 0.00 87 L 8.43 4.97 0.00 1.72 1.41 0.41 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.95 5.66 0.00 2.68 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 89 Q 8.39 4.55 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 90 F 8.40 4.61 0.00 2.97 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 91 K 9.28 4.06 0.00 1.98 2.20 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.43 7.81 92 D 8.09 4.88 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 93 Y 8.35 4.01 0.00 2.92 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 94 E 8.31 3.70 0.00 2.18 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 2.38 2.30 0.00 95 A 8.11 3.94 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 96 A 7.70 3.93 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 97 K 7.97 3.37 0.00 1.40 1.52 0.00 1.20 0.00 0.00 1.03 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 0.88 7.81 98 L 7.69 3.87 0.00 1.75 1.74 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.93 4.00 0.00 3.26 3.12 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 0.00 100 K 8.17 3.90 0.00 1.98 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.54 7.81 101 K 7.64 3.94 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 102 Q 7.76 3.98 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 103 L 7.25 3.86 0.00 1.53 1.53 0.85 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.02 3.74 0.00 1.85 1.74 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.54 7.81 105 V 7.31 3.49 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 1.01 0.00 0.00 0.88 0.00 0.00 106 E 7.89 3.90 0.00 2.18 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 2.27 2.46 0.00 107 L 8.52 4.02 0.00 1.64 1.67 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.07 4.31 0.00 2.92 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 0.00 109 R 8.07 3.83 0.00 1.91 2.07 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 110 C 8.08 4.01 0.00 3.13 2.90 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 0.00 111 K 8.36 3.88 0.00 1.85 1.95 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.48 7.81 112 K 8.43 3.93 0.00 2.04 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 113 L 8.25 3.99 0.00 1.80 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.77 3.72 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.33 0.91 0.00 0.00 115 E 8.22 4.05 0.00 2.26 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 2.34 2.32 0.00 116 K 8.60 3.90 0.00 1.87 1.96 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.47 7.81 117 A 8.05 4.05 1.48 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 0.00 0.00 118 L 8.55 4.21 0.00 1.86 1.80 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.20 4.33 0.00 3.89 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 0.00 120 D 8.57 4.52 0.00 2.75 2.70 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 0.00 121 N 7.77 4.68 0.00 2.38 2.18 0.00 0.00 6.81 6.77 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 0.00 122 F 7.78 4.44 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.