NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1670 8.3149 121.7782 55.6034 33.3101 175.4161 7 K 3.8447 8.1433 125.8933 55.7935 33.3829 174.2633 8 K 5.2383 8.7008 123.3479 54.7409 36.6313 174.0945 9 L 5.4282 9.3395 128.3467 53.4537 45.2237 175.1151 10 S 5.4370 9.2993 121.8168 56.8863 66.7475 173.0968 11 I 4.9692 9.1737 124.2084 59.6801 41.1449 174.5150 12 I 4.2980 8.8842 128.5867 60.4339 38.3644 175.3409 13 V 3.8410 8.3988 129.9343 61.8041 30.3045 175.7977 14 F 4.3820 8.9333 130.0217 60.2023 40.8155 176.0570 15 S 4.5234 8.1543 113.8650 58.4692 63.3983 174.4339 16 G 4.2085 8.4130 109.2199 44.8059 0.0000 173.5676 17 T 4.3526 7.4997 110.8324 60.6857 69.8814 175.3927 18 I 3.6555 8.5874 123.2631 64.2563 37.8271 178.0718 19 D 4.4616 8.0523 118.4333 55.6077 39.1996 177.6478 20 K 4.2951 7.4131 118.5955 57.6621 32.8704 178.2194 21 L 3.6267 7.6310 120.3374 54.0982 41.6243 177.4793 *23 P 4.3432 0.0000 0.0000 62.6611 33.7717 179.3262 24 V 3.6674 7.6220 116.9920 66.0739 31.2896 178.3092 25 G 3.8601 8.3509 105.2986 48.0326 0.0000 175.7859 26 I 3.8762 7.8064 121.8745 63.9740 37.1872 178.3306 27 L 3.9542 8.5309 120.1581 58.1155 41.4260 179.7114 28 T 3.8758 8.0789 115.6034 66.6632 68.4412 176.6885 29 S 4.1983 8.3971 115.1910 61.3479 62.5404 176.4586 30 G 3.5658 8.3493 108.3480 47.6966 0.0000 175.5692 31 A 3.7122 8.2290 123.6023 54.6603 18.4053 179.5131 32 A 4.1625 8.2484 119.2176 55.4793 18.2726 179.8017 33 A 4.0616 7.9696 117.8969 54.7916 18.5046 178.8116 34 S 4.5234 7.7457 109.0320 58.5770 62.6782 174.6897 35 G 3.9991 8.1011 108.7463 46.0241 0.0000 173.4125 36 Y 4.4736 8.0781 116.9256 57.5511 38.9669 174.8416 37 E 4.5372 9.2145 124.1762 55.6831 31.3193 175.2363 38 V 5.0459 9.0523 126.7939 61.1854 34.8247 173.6574 39 N 5.6960 9.4214 125.0240 51.5681 41.7570 173.2543 40 L 5.2380 9.5823 124.0214 52.8704 45.1338 175.2842 41 F 5.1150 8.7944 126.0687 56.3579 41.6560 173.6999 42 F 4.7430 8.9672 126.8595 56.7883 40.2256 175.2627 43 T 4.6496 8.3829 117.4570 59.7815 71.7675 177.7553 44 F 3.0835 8.9182 125.6617 57.9328 39.5501 179.5345 45 W 4.4800 7.0556 132.3646 60.4697 28.1865 177.6461 46 G 3.7064 7.7975 105.3538 47.1272 0.0000 175.3196 47 L 4.1398 7.5819 122.4518 57.9066 42.1815 178.6374 48 Q 3.8808 8.0460 118.9513 59.2516 28.7709 178.1780 49 A 4.2624 7.8207 120.0559 53.9968 18.5390 178.5232 50 I 4.3317 7.3674 110.7309 60.3114 38.3250 175.4807 51 T 4.4383 7.2832 111.8572 61.5427 70.8893 175.4514 52 K 3.8072 8.8765 123.7051 59.8762 31.8991 179.8347 53 R 3.8993 7.8571 116.7007 59.3775 30.2528 178.6112 54 S 4.2412 7.9598 112.4306 61.3938 62.2073 176.1716 55 L 3.9707 7.8085 120.6252 57.4447 41.4314 178.4116 56 N 4.5564 7.9490 113.6772 52.6966 39.2780 175.6064 57 S 4.1977 7.0716 115.6268 58.6735 62.9138 174.0564 58 Q 4.2819 8.4633 124.3108 56.9523 29.2258 176.4828 59 Q 4.1381 7.7974 118.4322 54.5992 29.2324 174.4595 60 P 4.3254 0.0000 0.0000 62.0412 31.7719 174.2435 61 P 4.4811 0.0000 0.0000 63.5789 31.9636 175.1652 62 Q 4.5119 8.5481 119.4379 55.1021 30.2733 174.9355 63 I 4.5651 8.2894 124.7690 59.9084 38.9099 175.3795 64 D 4.3757 9.1402 124.6621 54.4753 41.4426 177.7531 65 K 3.8567 8.7761 126.0012 59.5777 32.2283 177.9981 66 N 4.2630 8.7107 115.7285 55.4654 38.3587 174.9949 67 Y 4.8754 7.6119 115.6016 57.3804 39.2303 176.8060 68 E 4.0984 8.9209 123.1156 60.6395 29.5257 180.8150 69 Q 3.9600 8.1740 114.1972 55.6230 28.0418 180.0618 *71 G 4.1034 8.1323 107.7025 45.9213 0.0000 173.1325 72 P 4.3178 0.0000 0.0000 65.3557 31.8361 176.3067 73 I 3.7123 7.8075 123.3193 61.7366 36.9344 176.9976 *76 Q 4.2416 8.0382 124.0951 55.7843 30.5866 180.9840 77 K 4.2583 7.7669 117.8456 54.6544 30.9566 179.6851 *79 Q 4.4511 8.0848 120.2036 57.1372 30.2287 176.4286 80 E 4.1027 8.0826 116.4601 56.6862 28.8727 176.8414 *82 K 4.1668 7.8074 114.0968 55.6884 33.4448 175.7061 83 Y 4.0768 8.0953 119.6175 56.6521 40.4590 174.4678 84 P 4.7101 0.0000 0.0000 61.6665 31.2342 177.6184 *86 W 5.1121 8.7743 120.8058 57.7415 29.8614 177.3762 87 H 3.6594 6.2341 114.7084 57.8301 27.7121 177.4889 88 Q 3.8691 7.3722 120.5128 58.6802 28.6044 178.2824 89 L 3.9773 7.7955 119.6423 57.6691 41.6681 179.6378 90 V 3.6967 7.7968 118.0865 66.1159 31.5031 177.9062 91 Q 4.1662 8.5016 121.8849 60.0009 28.9077 178.8673 92 Q 4.0417 8.5217 121.8722 60.0689 28.1175 180.2733 93 A 4.2509 8.0892 122.5189 55.1108 18.1934 179.8719 94 K 4.0044 8.0929 116.1302 59.7141 32.1603 179.1315 95 E 4.1427 7.7772 117.8276 59.2265 29.4417 179.0682 96 I 4.1200 7.6970 119.2598 65.1410 37.8947 175.5957 97 G 4.0542 8.8602 109.4776 44.6276 0.0000 172.3946 98 E 4.5087 8.7016 121.3681 54.5412 30.2901 175.2943 99 V 4.9944 8.1590 124.6653 60.6277 34.6258 174.3340 100 K 4.6952 9.2111 126.8898 54.4673 35.6969 175.0684 101 V 4.7526 8.8468 124.7295 61.1561 33.7098 174.2583 102 F 5.5594 9.7259 126.4707 55.6825 42.5664 174.0959 103 A 5.0300 8.8763 123.6058 50.0614 21.5474 175.3823 104 C 4.7951 8.2856 123.4357 59.0771 31.8553 174.8239 105 S 4.2078 9.1140 122.6069 61.6019 63.3540 176.1142 106 T 3.7169 7.9370 117.5540 66.8199 68.4391 178.4153 107 T 3.0887 6.6241 115.8619 63.1342 67.8982 176.3815 *109 E 4.2524 8.4049 121.9888 56.5577 31.4639 178.5392 110 F 4.1904 7.7274 116.0340 59.9951 38.8611 176.1921 111 F 4.8197 8.2184 116.3312 56.3547 39.0454 175.6054 112 G 4.0114 7.6274 108.4476 46.5935 0.0000 173.9651 113 I 4.4071 7.8398 119.0580 59.5788 38.8410 175.8233 114 K 4.6594 9.0244 124.0080 54.2334 34.8887 177.5451 115 R 3.9237 8.7216 121.6665 60.2825 30.0768 179.9918 116 E 4.0795 8.1061 112.2221 58.6890 30.0086 179.6492 117 D 4.5773 8.1129 116.6762 56.1857 41.2773 176.3892 118 L 4.6708 7.4748 118.9575 53.1656 43.0066 176.5970 119 A 4.0694 8.4198 124.5326 52.2938 18.8494 179.0061 120 E 4.0376 8.5872 119.9656 59.2873 29.6474 178.4301 121 F 4.4887 8.1134 111.0660 57.3813 38.3023 175.3622 122 V 3.6220 7.7371 122.8373 63.0441 31.7911 175.3544 123 D 4.5510 8.8321 128.0737 57.0972 41.5312 175.9491 124 D 4.6353 7.6421 115.0099 53.5141 44.9823 174.1257 125 V 4.9411 8.4824 122.0486 61.4084 33.2187 174.9801 126 V 4.6320 9.2441 120.2729 60.2123 36.9986 174.4095 127 G 4.3831 8.3674 109.1486 44.9610 0.0000 174.9418 128 V 3.4756 8.5466 117.7728 66.1550 31.2933 177.6807 129 A 3.9379 7.9618 119.6966 55.4164 18.1164 179.5394 130 T 3.6805 7.7133 113.7923 66.7983 68.4978 176.4839 131 F 3.6223 7.5800 122.5672 60.8182 39.2079 177.1403 132 L 3.8960 8.0097 118.8988 57.8356 41.1768 179.2503 133 D 4.2444 7.8488 117.6246 57.5433 40.8798 178.7991 134 R 3.8623 7.5923 116.9066 59.0604 30.2705 178.7247 135 A 4.1679 7.8507 121.8046 52.5253 18.3584 177.2139 136 E 3.9698 7.0796 118.2151 58.1930 29.8706 177.3557 137 G 3.9334 9.2312 114.5022 44.9127 0.0000 172.2486 138 G 4.3974 7.4265 106.1664 44.4595 0.0000 172.6682 139 T 4.4944 8.4409 116.2912 63.6129 69.7304 174.5841 140 T 5.2497 8.4763 121.4052 61.8883 72.2055 173.2408 141 L 4.9671 9.0901 124.9450 52.8276 46.1531 175.2101 142 F 5.0792 8.9502 123.8889 56.5853 41.4727 175.0876 143 I 4.2258 8.2093 126.5966 61.4035 37.5730 175.6387 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 K 8.31 4.17 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.50 7.81 7 K 8.14 3.84 0.00 0.79 0.74 0.00 1.03 0.00 0.00 1.22 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.16 7.81 8 K 8.70 5.24 0.00 1.78 1.59 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 9 L 9.34 5.43 0.00 1.78 1.51 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.30 5.44 0.00 3.78 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 11 I 9.17 4.97 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 1.26 0.90 0.82 0.00 0.00 12 I 8.88 4.30 1.80 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.93 0.00 0.00 13 V 8.40 3.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.21 0.00 0.00 14 F 8.93 4.38 0.00 2.56 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 15 S 8.15 4.52 0.00 3.94 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 16 G 8.41 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 0.00 0.00 0.00 0.00 17 T 7.50 4.35 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 1.15 0.00 0.00 18 I 8.59 3.66 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.93 0.00 0.00 19 D 8.05 4.46 0.00 2.78 2.76 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 20 K 7.41 4.30 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.48 7.81 21 L 7.63 3.63 0.00 1.17 0.23 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *23 P 0.00 4.34 0.00 2.18 2.11 0.00 3.52 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 2.00 2.04 0.00 24 V 7.62 3.67 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 1.08 0.00 0.00 0.86 0.00 0.00 25 G 8.35 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 26 I 7.81 3.88 1.93 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 1.86 0.74 0.97 0.00 0.00 27 L 8.53 3.95 0.00 1.87 1.69 0.93 0.65 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 28 T 8.08 3.88 4.48 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 1.29 0.00 0.00 29 S 8.40 4.20 0.00 4.08 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 30 G 8.35 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 3.71 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 32 A 8.25 4.16 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 33 A 7.97 4.06 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 34 S 7.75 4.52 0.00 4.16 4.31 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 35 G 8.10 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 36 Y 8.08 4.47 0.00 2.86 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 37 E 9.21 4.54 0.00 2.06 1.85 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 2.34 2.30 0.00 38 V 9.05 5.05 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 1.14 0.00 0.00 1.00 0.00 0.00 39 N 9.42 5.70 0.00 2.67 2.96 0.00 0.00 6.49 7.20 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 40 L 9.58 5.24 0.00 1.70 1.35 1.12 0.77 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 41 F 8.79 5.11 0.00 1.51 1.76 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 42 F 8.97 4.74 0.00 2.88 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 43 T 8.38 4.65 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 1.48 0.00 0.00 44 F 8.92 3.08 0.00 2.63 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 45 W 7.06 4.48 0.00 3.30 3.02 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 46 G 7.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.58 4.14 0.00 1.79 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.05 3.88 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 49 A 7.82 4.26 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 50 I 7.37 4.33 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.60 0.44 0.00 0.00 51 T 7.28 4.44 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 1.25 0.00 0.00 52 K 8.88 3.81 0.00 1.74 1.86 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.38 1.55 7.81 53 R 7.86 3.90 0.00 1.76 1.99 0.00 3.21 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 1.62 1.68 0.00 54 S 7.96 4.24 0.00 3.98 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 L 7.81 3.97 0.00 1.51 1.46 0.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.95 4.56 0.00 2.72 2.81 0.00 0.00 6.98 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 57 S 7.07 4.20 0.00 3.92 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 58 Q 8.46 4.28 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.33 1.94 0.00 59 Q 7.80 4.14 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.17 0.00 60 P 0.00 4.33 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.71 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 61 P 0.00 4.48 0.00 2.14 2.20 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 62 Q 8.55 4.51 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 63 I 8.29 4.57 1.90 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 0.85 1.04 0.00 0.00 64 D 9.14 4.38 0.00 3.02 2.89 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 65 K 8.78 3.86 0.00 1.72 1.82 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.43 7.81 66 N 8.71 4.26 0.00 1.90 2.02 0.00 0.00 6.78 7.47 0.00 0.00 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 Y 7.61 4.88 0.00 2.88 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 68 E 8.92 4.10 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 2.32 2.39 0.00 69 Q 8.17 3.96 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 *71 G 8.13 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 0.00 0.00 0.00 72 P 0.00 4.32 0.00 2.19 2.22 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 73 I 7.81 3.71 1.87 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 1.27 0.59 0.90 0.00 0.00 *76 Q 8.04 4.24 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.21 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 77 K 7.77 4.26 0.00 1.79 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *79 Q 8.08 4.45 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.66 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 80 E 8.08 4.10 0.00 2.12 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 0.00 2.34 2.29 0.00 *82 K 7.81 4.17 0.00 1.82 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 83 Y 8.10 4.08 0.00 2.96 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 84 P 0.00 4.71 0.00 1.95 1.43 0.00 2.59 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 *86 W 8.77 5.11 0.00 3.83 3.46 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 87 H 6.23 3.66 0.00 2.61 1.63 0.00 5.65 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 88 Q 7.37 3.87 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 89 L 7.80 3.98 0.00 1.99 1.91 1.13 0.76 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 90 V 7.80 3.70 2.51 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 1.09 0.00 0.00 1.35 0.00 0.00 91 Q 8.50 4.17 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 92 Q 8.52 4.04 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 93 A 8.09 4.25 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 94 K 8.09 4.00 0.00 1.96 1.91 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.63 1.70 7.81 95 E 7.78 4.14 0.00 2.07 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 2.35 2.63 0.00 96 I 7.70 4.12 2.02 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 1.47 0.35 0.94 0.00 0.00 97 G 8.86 4.05 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 0.00 0.00 0.00 98 E 8.70 4.51 0.00 2.17 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 2.28 1.84 0.00 99 V 8.16 4.99 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 0.91 0.00 0.00 1.00 0.00 0.00 100 K 9.21 4.70 0.00 1.77 1.20 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.58 7.81 101 V 8.85 4.75 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 0.52 0.00 0.00 0.58 0.00 0.00 102 F 9.73 5.56 0.00 3.44 3.24 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 0.00 103 A 8.88 5.03 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 0.00 104 C 8.29 4.80 0.00 2.15 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.11 4.21 0.00 4.00 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 0.00 106 T 7.94 3.72 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 0.56 0.00 0.00 107 T 6.62 3.09 4.13 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 1.16 0.00 0.00 *109 E 8.40 4.25 0.00 2.06 2.02 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 2.26 2.43 0.00 110 F 7.73 4.19 0.00 2.40 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 0.00 0.00 0.00 111 F 8.22 4.82 0.00 3.03 3.01 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 0.00 112 G 7.63 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 0.00 0.00 0.00 113 I 7.84 4.41 1.89 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 1.45 0.89 0.91 0.00 0.00 114 K 9.02 4.66 0.00 1.76 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 115 R 8.72 3.92 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 116 E 8.11 4.08 0.00 1.98 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 2.23 1.91 0.00 117 D 8.11 4.58 0.00 2.86 2.73 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 0.00 118 L 7.47 4.67 0.00 1.79 1.59 0.92 0.53 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 0.00 119 A 8.42 4.07 1.05 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 0.00 0.00 120 E 8.59 4.04 0.00 1.93 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 0.00 2.25 2.20 0.00 121 F 8.11 4.49 0.00 3.08 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 0.00 122 V 7.74 3.62 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 0.79 0.00 0.00 0.96 0.00 0.00 123 D 8.83 4.55 0.00 2.26 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.64 4.64 0.00 2.83 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 0.00 125 V 8.48 4.94 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 0.91 0.00 0.00 0.97 0.00 0.00 126 V 9.24 4.63 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 0.83 0.00 0.00 1.06 0.00 0.00 127 G 8.37 4.38 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 0.00 0.00 0.00 128 V 8.55 3.48 2.08 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 1.10 0.00 0.00 0.97 0.00 0.00 129 A 7.96 3.94 1.29 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 0.00 0.00 130 T 7.71 3.68 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 1.05 0.00 0.00 131 F 7.58 3.62 0.00 2.27 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 0.00 132 L 8.01 3.90 0.00 1.90 1.64 0.97 0.90 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 0.00 133 D 7.85 4.24 0.00 2.78 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 0.00 134 R 7.59 3.86 0.00 1.37 1.49 0.00 2.93 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 135 A 7.85 4.17 1.20 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 0.00 136 E 7.08 3.97 0.00 2.08 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 2.30 2.25 0.00 137 G 9.23 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 0.00 0.00 0.00 138 G 7.43 4.40 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 0.00 139 T 8.44 4.49 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 1.25 0.00 0.00 140 T 8.48 5.25 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 1.36 0.00 0.00 141 L 9.09 4.97 0.00 1.59 1.55 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.95 5.08 0.00 3.05 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 0.00 143 I 8.21 4.23 1.74 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 1.09 0.65 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.