NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3783 8.1733 120.0874 56.1300 34.0908 174.8787 7 S 4.6232 8.5586 119.1938 57.9527 63.8384 172.1279 8 A 4.2422 9.3983 126.9759 50.6134 19.2862 175.7240 9 P 4.3797 0.0000 0.0000 62.6764 32.2569 175.9851 10 Y 4.2062 8.6055 123.4669 57.6586 39.3517 174.7489 11 F 4.8663 6.8202 119.4638 55.3157 42.2482 173.4822 12 S 4.6225 8.4852 113.7965 57.0693 64.7041 172.8878 13 L 5.0615 9.1784 127.3462 52.1615 46.0982 174.3681 14 P 5.0236 0.0000 0.0000 62.6673 33.3200 176.2534 15 N 6.0595 8.9369 119.8570 51.3945 39.7324 175.1395 16 E 4.1746 9.0308 116.4124 59.7085 29.4857 178.0571 17 K 4.2912 8.3501 115.1267 56.1281 32.4109 177.4405 18 G 4.0646 8.3903 107.8303 45.1382 0.0000 173.7454 19 E 4.3494 8.2492 120.1682 55.8720 30.8334 176.2638 20 K 4.8042 8.6385 123.1564 56.2540 33.1673 176.3363 21 L 5.0539 9.2155 123.8710 53.2159 46.0780 175.4043 22 S 4.7395 8.4004 114.3700 55.4581 66.0014 174.7960 23 R 4.0440 7.8335 122.0614 59.3242 29.8051 178.1283 24 S 4.3802 7.9761 109.1811 58.6479 63.5855 174.2326 25 A 4.1102 7.9294 125.6131 52.0305 17.4742 177.9962 26 E 3.8744 9.0344 122.5413 59.4470 29.5419 179.6451 27 R 3.8223 7.6278 112.2272 57.7398 29.8542 176.8027 28 F 5.0287 7.9184 117.2170 57.9814 41.1999 175.8231 29 R 3.8786 7.2345 119.5895 57.9172 30.0709 175.6587 30 N 4.3344 8.9894 120.6393 54.2398 36.0442 173.8252 31 R 4.8586 7.3754 116.2211 54.0611 34.3781 174.8993 32 Y 4.5331 8.6734 119.7509 58.4026 39.3496 175.0895 33 L 4.9016 9.0514 125.9253 53.0553 45.0170 174.9810 34 L 4.7908 8.3136 130.0826 54.3184 42.6806 175.7504 35 L 4.6071 9.0318 128.3091 53.4955 43.4584 175.4518 36 N 5.4500 8.9970 122.0647 51.1965 39.7125 173.5737 37 F 5.0060 9.4347 123.9582 56.2392 41.0924 175.1238 38 W 5.2170 8.8218 118.8675 56.2981 32.0764 172.6505 39 A 3.8970 8.0091 119.6570 50.3390 21.1853 177.7895 40 S 4.4097 8.7050 115.1437 60.4543 63.3922 175.4834 41 W 4.5912 6.9577 113.8015 57.5101 28.8051 176.2666 42 C 4.7801 7.3581 118.8156 58.3639 31.4593 173.7638 43 D 4.8979 7.5860 121.7677 52.0940 41.0811 173.1968 44 P 4.4122 0.0000 0.0000 63.6850 32.7780 176.9048 45 Q 4.5253 7.7494 118.8748 53.4761 29.8691 174.0116 46 P 4.2751 0.0000 0.0000 65.7442 31.4965 178.3866 47 E 4.0874 8.2523 116.0444 58.4469 29.1760 178.9877 48 A 3.9766 7.9736 121.6273 55.4327 18.4540 179.4628 49 N 4.3506 8.1052 114.2188 56.2228 38.7035 177.3680 50 A 4.0369 8.0392 122.6024 55.1595 18.4908 179.5439 51 E 3.9343 8.1561 115.8573 59.4497 29.7439 179.3792 52 L 3.7748 7.6694 120.0873 57.3411 41.6296 179.4545 53 K 4.0766 8.4466 118.8408 59.6820 31.9484 179.5318 54 R 3.9072 7.9519 118.1823 59.2208 29.9701 179.1920 55 L 3.9176 7.7983 118.7158 57.5131 41.3885 178.7055 56 N 4.2542 8.1092 116.5270 56.7239 38.5981 176.2800 57 K 4.0397 8.0766 120.5836 59.6975 32.0937 178.2636 58 E 3.8005 8.2283 118.3249 58.5399 29.6826 177.4624 59 Y 4.7714 7.6562 114.7490 57.5321 38.3427 177.2498 60 K 3.9245 7.5865 123.4879 59.4508 32.1976 177.7202 61 K 4.2996 7.9605 114.5798 56.4643 32.7918 175.6894 62 N 4.6743 8.2243 119.8027 52.6147 38.9714 174.9753 63 K 4.4454 8.6272 126.0534 57.0521 32.8894 176.1383 64 N 4.8905 8.6217 115.1661 54.6011 39.4479 174.2241 65 F 5.4868 8.2094 121.2577 56.8857 42.6072 173.8878 66 A 4.0848 7.8959 126.7155 50.7154 22.7822 173.6830 *68 L 4.4239 8.5610 114.9713 55.3718 43.8190 177.3722 69 G 4.6451 9.2938 114.0937 45.4466 0.0000 172.4496 70 I 4.7837 8.7941 125.7847 59.4418 39.8424 174.4218 71 S 4.2006 8.4200 122.8649 56.1027 63.9487 173.4103 72 L 4.4700 8.2409 125.9269 54.8478 42.6491 176.7250 73 D 4.9481 7.7936 119.9674 54.6874 41.1618 177.0345 74 I 4.5780 8.3948 112.5054 60.3475 38.9430 175.2411 75 D 4.8307 7.9904 120.8307 52.1521 43.7232 175.6160 76 R 4.5259 8.5807 127.4878 59.6160 30.0965 177.9504 77 E 4.0084 9.1109 119.5663 59.1811 29.6859 178.5946 78 A 4.0819 8.3093 120.4435 54.7585 18.5005 179.1582 79 W 4.4094 8.5132 126.8617 61.0388 30.8152 178.1883 80 E 3.6135 8.4469 118.4291 59.4552 28.7686 179.3527 81 T 3.8194 8.2279 115.8034 66.6264 68.5084 176.4868 82 A 4.0496 8.1746 122.6215 55.0656 18.4959 179.6170 83 I 3.3635 7.6986 118.3742 64.3459 37.2982 178.5930 84 K 3.8069 8.0825 120.4346 59.3214 31.8387 178.6518 85 K 3.9044 8.0873 118.9479 59.2174 32.2175 177.5284 86 D 4.5639 7.8513 115.4689 52.8973 42.3132 176.2806 87 T 3.3337 7.2129 113.1229 63.1733 66.1047 174.4170 88 L 3.3129 7.3822 122.9795 53.6940 40.1967 177.7309 89 S 4.1295 7.4865 115.0198 59.1009 64.0775 175.4896 90 W 4.6139 7.4763 118.1528 55.2458 29.4387 175.0736 91 D 4.6105 8.9215 117.6805 55.2900 40.9688 176.0262 92 Q 5.2220 8.8288 120.7192 54.3439 32.3466 174.7773 93 V 4.8883 9.2842 116.9128 60.0797 35.9185 174.2724 94 C 4.3261 7.9727 121.5173 57.9562 34.0789 173.3393 95 D 4.6705 7.9804 123.5180 52.7165 39.4367 176.5386 96 F 4.9391 7.3647 115.0483 59.0895 36.0351 175.8911 97 T 4.1847 7.5509 111.7931 61.5412 70.0903 176.0179 98 G 4.4193 7.9288 110.3991 45.0495 0.0000 174.6736 99 L 4.0721 8.6119 119.2099 57.6282 41.8126 177.9451 100 S 4.4631 7.9450 111.0762 58.0895 63.4495 174.4972 101 S 4.2918 7.9913 117.9799 58.8018 63.0329 174.9568 102 E 4.0660 8.8571 128.3510 59.6345 29.4081 179.3884 103 T 4.0549 8.0022 115.2926 66.5714 68.6094 176.3018 104 A 3.7279 8.1309 122.6031 54.8745 18.3737 179.3139 105 K 3.7516 7.9439 118.1602 60.1309 32.0322 178.9920 106 Q 4.0022 8.2703 116.8815 58.8181 28.6564 177.4011 107 Y 4.1277 8.0725 114.8538 56.6511 38.8118 175.1698 108 A 3.7066 7.7901 122.1819 53.0514 16.6325 178.4897 109 I 4.0263 8.0720 121.7918 60.6742 37.8722 176.5672 110 L 4.5278 8.4255 125.4435 55.2598 43.2353 176.4798 111 T 4.7870 7.4924 105.9839 59.8208 71.9257 172.5353 112 L 5.0183 8.0802 121.0998 52.0995 44.8896 174.9342 113 P 4.8458 0.0000 0.0000 63.3330 32.7772 175.6392 114 T 4.7459 8.8952 116.5936 62.2153 72.9452 172.7052 115 N 5.4791 8.8733 123.0139 52.0680 41.2892 174.0033 116 I 4.9823 9.0259 123.2191 59.4995 41.3965 173.8613 117 L 5.1429 9.2050 129.4771 53.3329 44.2369 174.8891 118 L 5.4757 9.1297 126.5465 52.8794 44.8618 176.6987 119 S 4.7752 8.9954 117.3982 56.9572 64.1649 173.3187 120 P 4.6931 0.0000 0.0000 65.3671 30.9698 177.4531 121 T 4.1977 7.7620 104.8322 61.5826 69.0066 175.3303 122 G 3.9798 8.9940 111.4478 45.3814 0.0000 173.3111 123 K 4.7879 7.8347 119.3355 55.2525 34.0291 176.0115 124 I 4.2432 8.5294 123.5913 61.8941 36.6459 175.8038 125 L 4.5037 9.3535 128.2868 56.6834 42.8138 177.1363 126 A 4.7447 7.6715 117.4096 51.2504 22.3052 175.7081 127 R 4.9614 8.1637 115.3048 55.5768 32.6298 173.9488 128 D 4.4680 8.7642 116.0838 55.4184 38.7736 173.8716 129 I 4.4507 7.7664 111.1714 59.3602 39.5096 174.4035 130 Q 4.6271 7.9135 120.6775 54.3356 33.9303 176.7880 131 G 3.8201 8.8565 108.4562 46.9435 0.0000 176.8266 132 E 3.9478 9.0013 123.1752 58.2585 29.0809 177.9726 133 A 4.0692 8.0700 120.6682 54.9029 18.2970 179.0637 134 L 3.9030 7.6084 119.0252 58.3779 42.0917 179.1413 135 T 4.0059 8.2600 110.1604 64.6488 68.6499 176.6475 136 G 3.6291 8.2713 110.3031 46.9532 0.0000 175.6396 137 K 3.9279 7.5713 121.9770 59.0177 32.1106 178.9816 138 L 3.6375 7.8376 119.2553 57.6301 41.3244 179.2204 139 K 3.8406 7.7259 117.0819 59.8884 32.1597 178.4627 140 E 4.0600 7.7994 116.7075 58.1707 29.6358 177.8285 141 L 4.1215 7.2629 117.4288 55.8031 42.1917 177.0056 142 L 4.2923 7.6053 122.7602 54.6423 41.9572 176.0981 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 8.17 4.38 0.00 1.73 1.78 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 7 S 8.56 4.62 0.00 3.82 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 8 A 9.40 4.24 1.50 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 9 P 0.00 4.38 0.00 1.79 1.96 0.00 2.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 10 Y 8.61 4.21 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 6.82 4.87 0.00 3.07 3.15 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 12 S 8.49 4.62 0.00 3.74 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 13 L 9.18 5.06 0.00 1.56 1.39 0.60 0.96 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 14 P 0.00 5.02 0.00 2.23 2.24 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 15 N 8.94 6.06 0.00 3.19 3.18 0.00 0.00 6.87 7.23 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 16 E 9.03 4.17 0.00 1.94 1.95 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 1.72 2.01 0.00 17 K 8.35 4.29 0.00 1.94 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 G 8.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.35 0.00 1.98 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 2.52 2.47 0.00 20 K 8.64 4.80 0.00 1.70 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 21 L 9.22 5.05 0.00 1.76 1.82 1.13 0.58 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 22 S 8.40 4.74 0.00 3.81 3.68 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 23 R 7.83 4.04 0.00 1.69 2.00 0.00 3.42 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 0.00 24 S 7.98 4.38 0.00 4.01 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 25 A 7.93 4.11 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 26 E 9.03 3.87 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 2.33 2.24 0.00 27 R 7.63 3.82 0.00 1.68 1.77 0.00 2.31 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 28 F 7.92 5.03 0.00 3.25 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 29 R 7.23 3.88 0.00 2.00 1.87 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 30 N 8.99 4.33 0.00 2.93 2.91 0.00 0.00 6.85 7.66 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 31 R 7.38 4.86 0.00 1.88 1.96 0.00 3.23 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 32 Y 8.67 4.53 0.00 3.29 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 33 L 9.05 4.90 0.00 1.67 1.47 0.37 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.31 4.79 0.00 1.80 1.40 1.00 1.08 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 35 L 9.03 4.61 0.00 1.51 1.11 0.58 0.10 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 36 N 9.00 5.45 0.00 2.83 3.01 0.00 0.00 6.56 8.10 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 37 F 9.43 5.01 0.00 3.03 2.97 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 38 W 8.82 5.22 0.00 3.44 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 39 A 8.01 3.90 -0.04 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 0.00 0.00 40 S 8.70 4.41 0.00 4.18 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 0.00 41 W 6.96 4.59 0.00 3.57 3.22 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 0.00 42 C 7.36 4.78 0.00 2.52 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 0.00 0.00 0.00 0.00 43 D 7.59 4.90 0.00 2.96 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 44 P 0.00 4.41 0.00 2.25 2.19 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 45 Q 7.75 4.53 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 46 P 0.00 4.28 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 47 E 8.25 4.09 0.00 1.97 2.00 0.00 0.00 0.00 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 2.32 0.00 48 A 7.97 3.98 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 49 N 8.11 4.35 0.00 2.71 2.85 0.00 0.00 6.91 7.93 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 50 A 8.04 4.04 1.32 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 0.00 0.00 0.00 51 E 8.16 3.93 0.00 2.22 2.20 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 2.48 2.31 0.00 52 L 7.67 3.77 0.00 1.72 1.09 0.96 0.72 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 53 K 8.45 4.08 0.00 2.00 1.95 0.00 1.74 0.00 0.00 1.98 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.91 1.90 7.81 54 R 7.95 3.91 0.00 1.97 1.91 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 55 L 7.80 3.92 0.00 1.81 1.81 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.11 4.25 0.00 2.38 3.06 0.00 0.00 7.20 6.55 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 57 K 8.08 4.04 0.00 2.02 1.93 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 58 E 8.23 3.80 0.00 1.77 1.39 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 1.47 1.96 0.00 59 Y 7.66 4.77 0.00 2.99 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 60 K 7.59 3.92 0.00 2.04 1.91 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.52 7.81 61 K 7.96 4.30 0.00 1.83 1.87 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 62 N 8.22 4.67 0.00 2.89 3.00 0.00 0.00 6.67 5.68 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 63 K 8.63 4.45 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 64 N 8.62 4.89 0.00 3.05 3.05 0.00 0.00 6.29 7.42 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 65 F 8.21 5.49 0.00 2.76 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 66 A 7.90 4.08 1.34 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 0.00 0.00 *68 L 8.56 4.42 0.00 1.24 1.22 1.10 0.70 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 69 G 9.29 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.79 4.78 0.68 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.25 0.48 0.00 0.00 71 S 8.42 4.20 0.00 2.73 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 72 L 8.24 4.47 0.00 1.46 1.83 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.79 4.95 0.00 2.27 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 74 I 8.39 4.58 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.90 0.00 0.00 75 D 7.99 4.83 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 76 R 8.58 4.53 0.00 1.58 1.86 0.00 3.24 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.23 0.00 77 E 9.11 4.01 0.00 2.08 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 2.35 2.36 0.00 78 A 8.31 4.08 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 79 W 8.51 4.41 0.00 3.48 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 80 E 8.45 3.61 0.00 1.99 1.81 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 2.47 2.59 0.00 81 T 8.23 3.82 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 1.24 0.00 0.00 82 A 8.17 4.05 1.72 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 0.00 0.00 83 I 7.70 3.36 1.70 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.64 0.00 0.00 84 K 8.08 3.81 0.00 1.77 1.89 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 85 K 8.09 3.90 0.00 1.83 2.01 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 86 D 7.85 4.56 0.00 2.54 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 87 T 7.21 3.33 4.17 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 1.17 0.00 0.00 88 L 7.38 3.31 0.00 1.08 0.60 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.49 4.13 0.00 3.99 3.95 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 90 W 7.48 4.61 0.00 3.40 3.42 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 91 D 8.92 4.61 0.00 3.00 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 92 Q 8.83 5.22 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 93 V 9.28 4.89 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 0.91 0.00 0.00 0.81 0.00 0.00 94 C 7.97 4.33 0.00 1.23 1.18 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 0.00 0.00 0.00 95 D 7.98 4.67 0.00 2.81 2.72 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 96 F 7.36 4.94 0.00 3.21 3.18 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 0.00 0.00 0.00 97 T 7.55 4.18 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 1.22 0.00 0.00 98 G 7.93 4.42 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 0.00 99 L 8.61 4.07 0.00 1.63 1.78 0.84 1.04 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 0.00 100 S 7.94 4.46 0.00 3.98 3.95 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 0.00 101 S 7.99 4.29 0.00 3.98 3.83 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 0.00 102 E 8.86 4.07 0.00 2.06 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 2.42 2.37 0.00 103 T 8.00 4.05 4.34 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 1.28 0.00 0.00 104 A 8.13 3.73 1.27 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 0.00 0.00 105 K 7.94 3.75 0.00 1.97 2.00 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.50 7.81 106 Q 8.27 4.00 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 107 Y 8.07 4.13 0.00 2.87 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 0.00 108 A 7.79 3.71 1.28 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 0.00 109 I 8.07 4.03 1.53 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.68 0.00 0.00 110 L 8.43 4.53 0.00 1.60 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.49 4.79 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 1.22 0.00 0.00 112 L 8.08 5.02 0.00 1.37 1.49 0.44 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.85 0.00 2.15 2.15 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 114 T 8.90 4.75 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 1.27 0.00 0.00 115 N 8.87 5.48 0.00 2.79 2.74 0.00 0.00 6.90 7.25 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 0.00 116 I 9.03 4.98 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.11 1.10 0.00 0.00 117 L 9.21 5.14 0.00 1.75 1.55 1.10 0.34 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 0.00 118 L 9.13 5.48 0.00 1.71 1.61 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 S 9.00 4.78 0.00 3.98 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 0.00 120 P 0.00 4.69 0.00 1.86 2.01 0.00 3.18 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 121 T 7.76 4.20 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 1.18 0.00 0.00 122 G 8.99 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 0.00 123 K 7.83 4.79 0.00 2.13 1.96 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 124 I 8.53 4.24 1.92 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 1.39 0.65 0.98 0.00 0.00 125 L 9.35 4.50 0.00 1.65 1.76 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.67 4.74 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 0.00 127 R 8.16 4.96 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 128 D 8.76 4.47 0.00 2.85 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 0.00 129 I 7.77 4.45 1.95 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 1.43 0.62 0.95 0.00 0.00 130 Q 7.91 4.63 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 131 G 8.86 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 0.00 132 E 9.00 3.95 0.00 2.08 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 2.36 2.28 0.00 133 A 8.07 4.07 1.34 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 0.00 0.00 134 L 7.61 3.90 0.00 1.72 1.85 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.26 4.01 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 1.23 0.00 0.00 136 G 8.27 3.63 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 0.00 0.00 0.00 137 K 7.57 3.93 0.00 1.92 1.96 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 138 L 7.84 3.64 0.00 1.62 1.14 0.78 0.79 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 0.00 139 K 7.73 3.84 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 140 E 7.80 4.06 0.00 1.92 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 2.25 2.30 0.00 141 L 7.26 4.12 0.00 1.11 0.78 0.63 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.61 4.29 0.00 1.11 1.24 -0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.