NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4417 8.3349 115.4161 58.0334 63.8119 171.2130 3 N 4.9604 7.5965 119.2246 52.3522 43.3957 172.5855 4 T 4.8204 9.0641 115.8607 62.0999 72.9608 173.8104 5 L 4.7533 8.6500 122.9233 55.5521 44.4296 176.5614 6 F 4.9623 7.8310 118.3819 57.2116 43.0076 172.7935 7 D 5.0211 6.9774 123.3703 53.4624 44.0915 173.6085 8 D 4.4033 8.7098 122.4973 53.7035 45.7669 174.0180 9 I 5.0809 7.9184 124.0155 59.7945 39.6811 174.9514 10 F 5.1459 9.5338 125.2896 55.7305 42.8991 174.1759 11 Q 4.8475 10.0305 121.2060 54.1778 31.6191 174.6590 12 V 4.0043 8.7070 128.3446 63.3716 31.9285 176.2462 13 S 4.5574 8.4998 122.2881 59.4058 64.6546 174.2047 14 E 4.7695 7.9611 119.2530 54.0676 33.5694 174.6236 15 V 4.4145 8.3747 123.6973 61.3176 34.5382 174.1304 16 D 4.8231 8.7929 128.7192 51.6393 43.0902 174.1907 17 P 4.9117 0.0000 0.0000 61.3814 30.0446 177.4239 18 G 3.7850 7.8531 109.5938 47.0379 0.0000 171.2309 19 R 3.7599 8.2332 127.7029 57.4230 27.7707 176.0882 20 Y 4.8643 7.7924 113.3339 56.4831 41.2845 175.6255 21 N 4.6689 9.0385 121.2218 54.6050 39.5925 175.8303 22 K 4.6440 8.1092 114.6257 55.8485 34.3757 175.9431 23 V 4.8456 7.8548 119.4325 61.2151 34.6368 174.5269 24 C 4.8837 8.6896 123.7077 57.9822 32.6117 173.1954 25 R 4.2947 8.7693 125.2757 56.4827 30.7593 175.1607 26 I 4.5638 9.5267 129.6796 60.2732 38.5568 174.7498 27 E 5.4011 9.0125 128.9613 53.5372 30.6325 173.1881 28 A 5.1526 8.1247 127.0611 49.7000 21.2634 175.7123 29 A 4.6391 8.9885 124.4339 51.6994 20.3761 176.1255 30 S 3.9742 8.0652 113.7052 57.1319 63.7579 173.8829 31 T 3.8167 7.9433 123.9570 64.6145 68.5023 173.7341 32 T 3.6210 9.0603 128.7959 62.4343 66.1699 171.4339 33 Q 4.5133 7.6325 123.1617 54.1525 29.9588 176.5848 34 D 4.5429 8.6920 123.8278 56.6729 41.1885 178.1907 35 Q 4.0994 8.0342 117.8500 58.6828 28.7178 176.0778 36 C 5.3216 8.1423 119.5797 58.6363 32.7661 172.9888 37 K 4.9296 8.7351 124.2036 54.6881 36.8288 174.8009 38 L 5.0618 8.6291 123.1146 53.6759 45.7337 175.1328 39 T 5.0380 8.4339 122.0303 61.7894 71.5534 172.8427 40 L 4.8689 8.7629 126.2098 54.1364 46.1453 173.3887 41 D 4.8568 8.7120 126.1798 53.5148 42.2670 176.1348 42 I 4.5136 8.1247 122.7679 59.4103 41.7868 175.1694 43 N 5.4649 8.8955 124.0733 52.8255 36.4593 175.2865 44 V 4.0404 8.0283 122.4215 64.5386 32.3057 177.1372 45 E 4.1157 8.4311 119.7669 59.2320 29.6023 177.7024 46 L 4.2345 8.3473 117.0265 56.5435 42.0910 176.8727 47 F 4.7263 8.5103 120.6109 55.9593 40.2909 171.2903 48 P 4.4826 0.0000 0.0000 62.0264 31.9818 176.2750 49 V 4.3492 7.8074 119.6502 61.4187 34.9506 174.1518 50 A 4.4341 8.8187 124.9530 50.8484 21.5885 174.9456 51 A 4.0175 8.6041 119.6194 53.2210 18.5377 177.1138 52 Q 4.1757 8.5466 123.0002 55.5927 25.5986 172.2907 53 D 5.0855 7.8640 120.0068 52.2976 44.9900 175.3126 54 S 5.4062 8.5573 116.9591 57.2745 62.1227 172.2111 55 L 4.5928 8.5473 128.3590 55.0116 43.8242 175.4393 56 T 4.8481 8.3220 118.9015 62.4431 70.4106 173.8930 57 V 5.0156 9.3133 126.8824 61.5817 34.6987 174.5131 58 T 5.3579 8.6650 122.3520 63.2946 73.0563 171.7478 59 I 4.1767 9.3972 126.1835 60.6703 37.4087 178.9754 60 A 3.8901 10.4313 135.0000 52.9275 18.2194 179.0404 61 S 5.4274 8.2279 107.3178 56.7748 64.4542 173.6305 62 S 4.4941 7.2723 123.6245 59.0078 68.1269 178.4945 63 L 4.0483 8.5368 113.4929 55.0579 38.5534 176.4630 *76 T 4.1987 7.6413 112.9332 62.5865 70.4985 173.0991 77 R 4.2442 8.1779 122.1620 55.3467 29.6211 176.3764 78 S 4.3049 8.4612 114.9140 58.1630 63.5179 173.9228 79 W 4.2922 8.7543 132.7590 57.3132 31.1805 175.5249 80 R 4.3663 7.4930 123.4570 53.5830 33.6315 174.1476 81 P 3.7170 0.0000 0.0000 62.5808 31.9372 175.6355 82 P 4.7719 0.0000 0.0000 60.1000 31.5372 178.4020 83 Q 3.5991 9.1965 116.7262 57.4334 27.3329 175.2809 84 A 4.1443 7.6351 118.2972 53.7793 18.4656 179.1501 85 G 3.6873 8.0206 104.3113 47.5030 0.0000 173.7381 86 D 5.0448 7.9129 118.1025 53.8750 42.6746 175.7359 87 R 4.6594 7.6421 119.3366 54.9611 30.4984 177.5956 88 S 4.2857 8.6203 121.3323 59.9899 63.2007 175.0248 89 L 4.4648 7.8227 120.6303 54.5763 43.6046 175.3223 90 A 4.4464 8.0822 132.5942 52.2256 18.6698 177.7386 91 D 4.9590 7.9657 117.3589 54.5692 39.9830 177.6671 92 D 4.3801 8.3195 115.7852 56.1482 40.3927 174.8285 93 Y 4.8080 7.8290 117.0538 56.5182 40.9271 173.7736 94 D 4.8315 8.5712 118.5960 56.2393 41.9927 176.3373 95 Y 4.1432 7.2486 118.1421 56.9381 40.2713 173.9270 96 V 5.0000 7.8862 125.3762 61.7525 35.2682 173.6551 97 M 5.0434 9.2616 126.2428 54.0274 36.4163 173.3593 98 Y 5.1660 8.6099 118.9723 57.1164 41.9291 173.9837 99 G 3.3650 7.5863 111.7909 45.8525 0.0000 171.8187 100 T 4.9266 8.2425 115.4544 60.5693 71.2833 174.1462 101 A 4.1273 8.3464 129.0692 51.4506 19.9172 175.2425 102 Y 4.6835 8.0757 119.3238 58.0088 39.9207 175.8712 103 K 4.7556 7.0515 121.5493 53.7200 35.6399 174.1624 104 F 5.0755 9.0548 124.5749 56.0321 40.9356 174.5443 105 E 4.7516 8.6496 123.3651 54.6927 32.9733 175.7535 106 E 4.7855 8.5781 122.0029 54.7358 29.5851 177.1700 107 V 3.4814 7.9379 124.5287 63.2619 31.5249 177.2572 108 S 3.7965 8.6157 115.6486 58.3941 64.1439 170.9076 109 K 4.0594 8.2820 119.2822 57.5659 30.8767 174.9646 110 D 4.9349 8.5165 110.4840 53.0900 40.0954 176.4468 111 L 5.0948 7.6571 117.6769 54.5782 46.8318 176.1761 112 I 4.8323 8.8817 122.7126 59.6483 41.6418 174.4957 113 A 5.4447 8.5370 127.2289 49.7842 22.4421 175.4863 114 V 4.1729 7.3096 110.0605 59.9600 36.5999 174.0455 115 Y 5.0288 8.0943 119.8908 56.3848 41.4078 174.3730 116 Y 5.0110 9.1161 120.5180 56.1348 42.5132 174.2788 117 S 4.9894 9.0794 117.5487 56.2021 65.2014 174.0109 118 F 5.1037 8.7045 126.7586 56.3488 38.0534 175.4128 119 G 3.8169 8.5416 105.2603 47.0588 0.0000 172.3947 120 G 3.9742 8.0084 110.2080 45.2385 0.0000 174.8572 121 L 4.2170 7.9887 119.4629 54.5365 42.2089 177.0451 122 L 5.0788 8.6899 124.6030 54.6907 44.0841 175.9227 123 M 5.0285 8.7465 117.7491 54.8712 36.2900 173.0725 124 R 4.8391 8.7897 126.6110 54.3053 33.4458 174.1045 125 L 4.9302 8.1719 127.1157 53.2909 45.3340 174.3010 126 E 4.7632 8.5557 127.8594 53.7579 31.4799 173.1273 127 G 3.7602 8.4013 118.0003 45.9043 0.0000 173.0842 128 N 4.4113 8.4811 125.2985 54.4160 44.3650 175.8828 129 Y 4.3851 8.3249 114.1401 59.2960 38.1382 177.0846 130 R 4.1375 7.4457 118.9726 57.2789 30.4405 177.7566 131 N 4.2778 7.6949 115.9466 55.9593 38.9029 175.5261 132 L 4.5642 7.8843 115.2917 56.4784 43.3941 177.3757 133 N 4.5235 8.4139 114.2484 56.2623 38.6645 175.3295 134 N 4.7027 8.2987 115.7260 52.8535 40.2059 176.5668 135 L 4.4943 8.3265 127.1153 55.0662 42.4704 176.7029 136 K 4.2963 8.4878 112.7698 56.6059 36.1431 175.3873 137 Q 4.6512 7.6642 115.4489 53.9038 32.4507 174.3561 138 E 3.8231 8.7625 118.1479 59.7747 29.5349 176.2083 139 N 4.1374 7.7134 112.9235 53.2647 39.1287 174.1619 140 A 4.8674 8.3666 121.0172 52.0374 22.2001 174.4225 141 Y 5.1169 8.2426 119.9265 57.2028 40.7770 174.8505 142 L 5.0131 8.6303 124.1985 53.2810 45.1436 175.0040 143 L 5.0414 8.9863 125.8645 52.9045 45.2215 175.6462 144 I 5.9849 9.0708 123.4861 58.7542 41.5666 174.4437 145 R 4.9169 8.3827 122.0277 55.2923 33.1911 175.6229 146 R 4.2956 8.9193 119.4648 57.0139 30.7174 176.1437 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 2 S 8.33 4.44 0.00 4.00 3.99 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 3 N 7.60 4.96 0.00 2.79 2.77 0.00 0.00 7.01 6.65 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 4 T 9.06 4.82 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 1.28 0.00 0.00 5 L 8.65 4.75 0.00 1.78 1.94 1.09 0.91 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 6 F 7.83 4.96 0.00 3.14 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 7 D 6.98 5.02 0.00 2.63 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.40 0.00 2.47 2.55 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 9 I 7.92 5.08 1.85 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 1.39 0.75 1.00 0.00 0.00 10 F 9.53 5.15 0.00 2.95 3.07 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 11 Q 10.03 4.85 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 12 V 8.71 4.00 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 0.97 0.00 0.00 1.01 0.00 0.00 13 S 8.50 4.56 0.00 3.94 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 14 E 7.96 4.77 0.00 2.02 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 2.27 2.29 0.00 15 V 8.37 4.41 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 0.84 0.00 0.00 0.96 0.00 0.00 16 D 8.79 4.82 0.00 2.83 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 17 P 0.00 4.91 0.00 2.27 2.12 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 18 G 7.85 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 0.00 0.00 0.00 19 R 8.23 3.76 0.00 1.67 1.70 0.00 3.22 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 20 Y 7.79 4.86 0.00 3.07 2.79 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 21 N 9.04 4.67 0.00 2.75 2.90 0.00 0.00 6.89 7.61 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 22 K 8.11 4.64 0.00 1.71 1.82 0.00 1.63 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.43 7.81 23 V 7.85 4.85 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 0.56 0.00 0.00 0.84 0.00 0.00 24 C 8.69 4.88 0.00 2.88 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 25 R 8.77 4.29 0.00 2.05 1.84 0.00 3.10 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 26 I 9.53 4.56 1.87 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 1.08 0.55 0.83 0.00 0.00 27 E 9.01 5.40 0.00 1.96 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 2.20 2.20 0.00 28 A 8.12 5.15 1.25 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 0.00 0.00 0.00 29 A 8.99 4.64 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 30 S 8.07 3.97 0.00 3.35 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 31 T 7.94 3.82 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 1.17 0.00 0.00 32 T 9.06 3.62 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 1.13 0.00 0.00 33 Q 7.63 4.51 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 34 D 8.69 4.54 0.00 2.67 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 35 Q 8.03 4.10 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 C 8.14 5.32 0.00 3.18 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 37 K 8.74 4.93 0.00 1.72 1.66 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.46 7.81 38 L 8.63 5.06 0.00 1.23 1.31 0.65 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.43 5.04 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 1.24 0.00 0.00 40 L 8.76 4.87 0.00 1.51 1.25 0.68 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.71 4.86 0.00 2.61 2.49 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 0.00 42 I 8.12 4.51 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.51 0.95 0.00 0.00 43 N 8.90 5.46 0.00 2.84 2.88 0.00 0.00 6.70 7.59 0.00 0.00 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 V 8.03 4.04 2.11 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 1.13 0.00 0.00 1.02 0.00 0.00 45 E 8.43 4.12 0.00 2.00 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 2.32 2.36 0.00 46 L 8.35 4.23 0.00 1.74 1.75 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.51 4.73 0.00 3.27 3.28 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 48 P 0.00 4.48 0.00 1.92 1.88 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 49 V 7.81 4.35 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 0.86 0.00 0.00 50 A 8.82 4.43 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 51 A 8.60 4.02 1.26 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 0.00 0.00 0.00 52 Q 8.55 4.18 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 53 D 7.86 5.09 0.00 2.57 2.55 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 54 S 8.56 5.41 0.00 3.90 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 55 L 8.55 4.59 0.00 1.69 1.71 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.32 4.85 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 1.34 0.00 0.00 57 V 9.31 5.02 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 1.03 0.00 0.00 0.86 0.00 0.00 58 T 8.66 5.36 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 1.35 0.00 0.00 59 I 9.40 4.18 2.01 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.42 0.95 0.00 0.00 60 A 10.43 3.89 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.23 5.43 0.00 4.15 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 62 S 7.27 4.49 0.00 3.90 3.10 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 63 L 8.54 4.05 0.00 1.58 1.61 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.64 4.20 4.30 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 1.29 0.00 0.00 77 R 8.18 4.24 0.00 2.01 2.01 0.00 3.23 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 78 S 8.46 4.30 0.00 4.05 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 79 W 8.75 4.29 0.00 3.25 3.19 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 80 R 7.49 4.37 0.00 1.45 1.51 0.00 3.10 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 81 P 0.00 3.72 0.00 2.02 1.75 0.00 3.26 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 82 P 0.00 4.77 0.00 2.16 1.66 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 83 Q 9.20 3.60 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 84 A 7.64 4.14 1.26 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 0.00 0.00 0.00 85 G 8.02 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 0.00 0.00 0.00 86 D 7.91 5.04 0.00 2.63 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 87 R 7.64 4.66 0.00 1.85 1.29 0.00 3.18 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 88 S 8.62 4.29 0.00 3.95 3.85 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 89 L 7.82 4.46 0.00 1.63 1.83 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.08 4.45 1.24 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 0.00 0.00 91 D 7.97 4.96 0.00 2.90 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 92 D 8.32 4.38 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 93 Y 7.83 4.81 0.00 2.89 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 94 D 8.57 4.83 0.00 2.65 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 95 Y 7.25 4.14 0.00 1.80 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 0.00 0.00 0.00 96 V 7.89 5.00 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 1.05 0.00 0.00 0.95 0.00 0.00 97 M 9.26 5.04 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.37 0.00 98 Y 8.61 5.17 0.00 2.45 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 99 G 7.59 3.37 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 0.00 0.00 0.00 0.00 100 T 8.24 4.93 4.09 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 1.12 0.00 0.00 101 A 8.35 4.13 0.39 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 0.00 102 Y 8.08 4.68 0.00 2.91 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 0.00 103 K 7.05 4.76 0.00 1.85 1.57 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 F 9.05 5.08 0.00 2.76 2.96 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 0.00 105 E 8.65 4.75 0.00 2.02 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 2.31 2.39 0.00 106 E 8.58 4.79 0.00 1.94 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 2.36 2.32 0.00 107 V 7.94 3.48 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 0.77 0.00 0.00 0.91 0.00 0.00 108 S 8.62 3.80 0.00 4.21 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 0.00 109 K 8.28 4.06 0.00 1.91 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 110 D 8.52 4.93 0.00 2.85 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 0.00 111 L 7.66 5.09 0.00 1.75 1.53 0.93 0.76 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 0.00 112 I 8.88 4.83 1.85 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 1.17 0.98 0.97 0.00 0.00 113 A 8.54 5.44 0.94 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 0.00 114 V 7.31 4.17 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 -0.40 0.00 0.00 0.74 0.00 0.00 115 Y 8.09 5.03 0.00 1.89 1.67 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 0.00 116 Y 9.12 5.01 0.00 3.02 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 0.00 117 S 9.08 4.99 0.00 3.83 3.60 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 0.00 0.00 0.00 0.00 118 F 8.70 5.10 0.00 3.10 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 0.00 119 G 8.54 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 0.00 120 G 8.01 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 0.00 0.00 0.00 121 L 7.99 4.22 0.00 1.73 1.66 0.96 0.63 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 0.00 122 L 8.69 5.08 0.00 1.87 1.77 0.98 0.73 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 0.00 123 M 8.75 5.03 0.00 2.33 1.82 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 124 R 8.79 4.84 0.00 1.90 1.63 0.00 3.10 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 125 L 8.17 4.93 0.00 1.51 1.16 0.80 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.56 4.76 0.00 2.04 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 2.20 2.19 0.00 127 G 8.40 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 0.00 128 N 8.48 4.41 0.00 2.82 2.83 0.00 0.00 6.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.32 4.39 0.00 3.16 3.10 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 0.00 130 R 7.45 4.14 0.00 1.74 1.94 0.00 2.89 0.00 0.00 2.94 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 0.00 131 N 7.69 4.28 0.00 2.80 2.98 0.00 0.00 6.83 7.48 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 0.00 132 L 7.88 4.56 0.00 1.69 1.75 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.41 4.52 0.00 2.85 3.35 0.00 0.00 6.85 8.00 0.00 0.00 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 N 8.30 4.70 0.00 2.82 2.87 0.00 0.00 7.24 7.32 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 0.00 135 L 8.33 4.49 0.00 1.81 1.66 1.04 0.57 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 0.00 136 K 8.49 4.30 0.00 1.63 1.65 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.09 1.06 7.81 137 Q 7.66 4.65 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 138 E 8.76 3.82 0.00 1.96 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 2.23 2.27 0.00 139 N 7.71 4.14 0.00 2.88 3.02 0.00 0.00 6.72 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 0.00 140 A 8.37 4.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.24 5.12 0.00 3.17 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 0.00 142 L 8.63 5.01 0.00 1.75 1.28 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.99 5.04 0.00 0.62 0.13 0.92 0.25 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 0.00 144 I 9.07 5.98 1.56 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 0.80 1.11 0.73 0.00 0.00 145 R 8.38 4.92 0.00 1.82 2.00 0.00 2.90 0.00 0.00 2.85 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 146 R 8.92 4.30 0.00 2.07 2.02 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.