NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.3313 8.1749 115.2461 61.8504 68.6149 173.0873 9 S 4.1001 8.6410 117.0006 61.1104 63.0014 174.5785 10 D 4.4890 8.7428 121.7828 54.2666 42.9616 177.3699 11 R 3.9754 8.6040 123.1527 59.2104 30.1660 179.2928 12 S 4.0951 8.0310 114.5731 61.8038 62.8814 176.8471 13 K 4.0018 7.9830 120.4305 59.3166 31.9477 178.8379 14 N 4.3356 7.9864 117.4830 56.7366 38.8451 176.9436 15 R 4.1049 8.4832 120.5271 59.4827 30.1167 178.6150 16 K 4.0437 8.3453 118.4003 59.4664 31.7891 179.4635 17 R 3.9562 8.1666 117.8942 59.6318 30.0803 178.5636 18 H 4.2673 8.0263 114.1574 58.9077 28.8153 177.6075 19 F 4.0696 8.6772 118.4194 59.6738 39.4783 177.1435 20 N 5.0474 8.3683 114.8400 51.7051 38.7646 175.0159 21 A 4.2734 7.2469 122.0511 50.9971 20.2263 176.2607 22 P 4.5692 0.0000 0.0000 61.7422 32.6334 178.0211 23 S 4.1526 8.7476 115.0013 62.1983 62.5306 176.4149 24 H 4.2272 8.1834 118.4178 58.2843 27.9916 177.4581 25 I 3.5921 7.3253 122.0518 64.0788 36.7702 178.4958 26 R 4.0175 8.0206 119.0080 58.9285 29.7958 178.9823 27 R 3.8349 7.4922 117.8498 59.3204 29.6854 179.0717 28 K 3.9423 7.6576 116.6442 59.3454 31.7234 179.4271 29 I 3.6445 7.5949 119.9477 64.2018 37.1052 177.6846 30 M 2.0000 7.4340 120.1790 55.3144 31.9409 176.4599 31 S 4.7020 6.6587 113.1524 58.5223 64.9723 174.0236 32 S 4.5072 8.5598 119.6461 57.8808 65.7519 175.1192 *34 L 4.4772 8.6687 117.4836 53.9660 42.8461 175.5450 35 S 4.4532 8.7868 116.6942 57.9492 64.4590 175.5795 36 K 3.9451 8.7733 119.6083 60.4016 32.1051 179.0181 37 E 3.9874 8.0994 119.6535 58.8776 29.2427 179.1458 38 L 3.9872 7.8269 117.5854 57.8096 41.7922 179.2585 39 R 4.8256 7.8654 118.5639 58.8085 30.0641 178.5997 40 Q 4.1484 7.6611 117.9143 59.0319 29.1699 178.2263 41 K 4.0825 7.8212 114.4473 57.6353 32.0161 176.7705 *43 N 4.5356 7.9198 117.5127 53.1479 40.0908 173.5279 44 V 4.4213 7.6274 115.2227 60.6342 33.8661 174.5953 *46 S 4.3911 8.4078 122.4184 59.1119 64.1383 171.7400 47 M 4.9008 8.4129 119.6203 53.7157 36.0597 171.7774 48 P 4.6909 0.0000 0.0000 62.5155 32.2318 176.0751 49 I 4.1756 8.1014 125.9630 61.2211 37.9292 175.8714 50 R 4.6964 8.7532 125.1654 53.8189 32.7526 177.1585 51 K 4.0699 8.5043 120.1878 59.1934 32.4006 177.7368 52 D 4.5313 7.9916 117.5776 56.7521 41.3995 176.5368 53 D 4.7298 7.8345 118.2242 54.4671 41.8773 175.1947 54 E 5.1673 9.1437 122.0163 54.9638 31.7298 175.0763 55 V 4.6783 8.7748 123.8668 60.5353 35.7960 173.2182 56 Q 5.0263 9.0711 120.7757 54.1834 31.9597 174.8384 57 V 4.3055 9.2152 124.9055 62.2602 32.1748 176.7678 58 V 3.9260 8.4123 122.1471 63.9466 31.9846 178.3902 59 R 4.0834 8.2831 118.5482 58.7661 30.8545 176.5174 60 G 4.2159 7.6433 107.7881 45.0094 0.0000 173.5624 61 H 4.0753 8.8878 115.6209 58.9543 29.1487 176.5545 62 Y 3.9662 8.1176 116.6052 59.8729 38.0351 175.8436 63 K 4.0722 7.6992 120.4757 58.4389 32.4496 176.1939 64 G 4.0734 9.2943 114.7161 45.4579 0.0000 174.0284 65 Q 4.1570 8.4663 120.2249 56.0774 29.2565 175.4440 66 Q 4.3011 8.3769 121.6785 56.8862 32.2790 173.5888 67 I 4.0109 7.4816 112.1382 61.2837 36.2921 173.9052 68 G 4.1919 7.8680 110.2576 44.2278 0.0000 171.1474 69 K 4.7754 8.6297 125.0390 55.6088 34.0600 176.3810 70 V 4.1416 8.4831 125.3424 62.9664 31.2709 176.3235 71 V 3.8971 8.8339 129.3675 64.7026 32.2256 176.0527 72 Q 4.6214 7.8025 119.7424 54.7361 32.7988 173.1445 73 V 4.8150 8.1007 121.7395 61.4013 34.4913 173.9294 74 Y 4.5155 8.9382 126.7962 56.1656 39.0532 177.1329 75 R 4.0417 8.8973 122.3112 58.9403 30.2567 177.9804 76 K 4.0789 8.4883 118.8441 58.7250 32.1397 176.9889 77 K 4.3297 7.6458 119.2593 53.4990 32.5465 172.8460 78 Y 4.7726 8.2072 122.3779 57.5574 38.8073 175.3059 79 V 4.1843 6.9961 125.6763 61.3461 35.6688 172.7545 80 I 4.9270 8.0218 116.4004 59.2071 41.3515 173.5126 81 Y 4.7889 8.7412 120.8438 56.1944 40.6073 174.5912 82 I 4.8924 8.0463 123.0015 58.6005 41.5008 174.2608 83 E 4.0945 8.9031 130.0639 57.8946 29.8369 177.5006 84 R 4.5066 8.7371 122.0030 56.7998 28.3111 176.7938 85 V 4.2024 7.8460 119.7843 61.3294 30.5455 174.0734 86 Q 5.0782 8.1760 123.8085 54.5547 32.9201 173.2075 87 R 4.9509 9.5103 119.7077 54.4874 33.5456 173.6678 88 E 4.7567 8.6698 125.3135 54.6309 31.0623 175.9858 89 K 4.3502 8.7118 126.8049 55.1226 33.5216 177.9948 90 A 4.0449 8.5129 122.9474 55.3867 18.3853 178.9538 91 N 4.3735 8.0731 112.2563 55.2945 37.4729 175.6717 92 G 4.0097 7.6592 104.9057 45.6794 0.0000 174.2021 93 T 3.9639 8.3856 114.9042 62.2434 67.9529 172.2733 94 T 4.9903 8.2251 120.6452 60.4728 68.7627 173.6570 95 V 4.4888 8.5483 128.3049 61.0990 35.1157 174.3734 96 H 5.0066 8.7137 122.6494 55.7775 29.7275 174.9365 97 V 4.2494 8.0286 122.0643 59.8009 32.5463 176.2243 98 G 3.2846 8.5398 112.7769 46.0923 0.0000 172.5432 99 I 4.7023 7.8609 121.7677 59.3653 41.7717 174.5339 100 H 4.8554 8.5997 122.3360 54.1374 29.8706 174.9110 101 P 4.3424 0.0000 0.0000 65.9240 31.2529 178.6838 102 S 4.3083 8.1517 114.1085 61.3172 63.0887 175.6671 103 K 4.1395 8.4269 119.8896 58.0165 32.0149 176.6905 104 V 4.9542 7.7878 117.7978 59.8307 34.4010 175.6183 105 V 4.4892 8.4117 113.3620 59.5649 35.8465 174.8230 106 I 4.4630 8.3112 125.1863 60.6482 38.3428 176.0635 107 T 4.3900 8.2369 126.8498 65.2338 69.4097 175.7686 108 R 4.4756 7.5834 120.4780 54.4294 33.9190 174.1208 *110 K 4.2647 8.6072 126.0234 56.1201 32.7297 174.9823 111 L 3.9155 8.4799 127.1480 56.6296 42.1936 172.9335 112 D 4.3206 8.1040 123.3702 53.5489 42.7259 174.7285 113 K 3.9634 8.5768 125.1732 59.6006 31.9925 179.1660 114 D 4.3393 8.1870 118.7318 57.4206 40.8326 178.6572 115 R 3.8798 7.9228 118.7169 59.2080 30.0593 178.1892 116 K 3.9151 8.5952 119.9480 59.3338 32.1006 178.8423 117 K 3.9514 8.4381 119.4004 59.4154 31.7961 179.3347 118 I 3.7114 7.2305 111.9696 64.0381 37.5985 177.9225 119 L 4.1062 7.7974 119.8928 57.3437 41.5415 178.8368 120 E 4.0612 8.7059 118.6052 59.1209 29.7044 177.2713 121 R 4.2724 8.2341 121.7837 56.3994 30.4279 176.1675 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 8 T 8.17 4.33 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 1.30 0.00 0.00 9 S 8.64 4.10 0.00 3.99 3.91 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 0.00 0.00 0.00 10 D 8.74 4.49 0.00 2.69 2.60 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 11 R 8.60 3.98 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 12 S 8.03 4.10 0.00 3.86 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 13 K 7.98 4.00 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 14 N 7.99 4.34 0.00 2.83 2.96 0.00 0.00 6.83 7.91 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 15 R 8.48 4.10 0.00 2.04 2.06 0.00 2.94 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 16 K 8.35 4.04 0.00 1.99 1.87 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.62 7.81 17 R 8.17 3.96 0.00 1.95 1.99 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 18 H 8.03 4.27 0.00 3.35 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.68 4.07 0.00 3.00 3.23 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 20 N 8.37 5.05 0.00 2.71 2.83 0.00 0.00 7.07 8.16 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 21 A 7.25 4.27 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 22 P 0.00 4.57 0.00 1.97 1.98 0.00 3.55 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 23 S 8.75 4.15 0.00 4.06 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 24 H 8.18 4.23 0.00 3.36 3.58 0.00 5.46 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 25 I 7.33 3.59 2.07 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.84 0.00 0.00 26 R 8.02 4.02 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 27 R 7.49 3.83 0.00 1.91 1.93 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 28 K 7.66 3.94 0.00 1.86 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 I 7.59 3.64 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 1.01 0.00 0.00 30 M 7.43 2.00 0.00 1.88 1.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 31 S 6.66 4.70 0.00 4.04 3.77 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 0.00 0.00 0.00 0.00 32 S 8.56 4.51 0.00 4.02 3.44 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 0.00 *34 L 8.67 4.48 0.00 1.58 1.69 0.95 0.82 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 35 S 8.79 4.45 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 36 K 8.77 3.95 0.00 2.00 2.11 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 37 E 8.10 3.99 0.00 2.04 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 2.40 2.40 0.00 38 L 7.83 3.99 0.00 1.74 1.73 0.98 0.93 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 R 7.87 4.83 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 40 Q 7.66 4.15 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.25 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 41 K 7.82 4.08 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.61 7.81 *43 N 7.92 4.54 0.00 2.82 2.99 0.00 0.00 6.50 7.71 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 44 V 7.63 4.42 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 0.90 0.00 0.00 0.95 0.00 0.00 *46 S 8.41 4.39 0.00 3.91 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 47 M 8.41 4.90 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 48 P 0.00 4.69 0.00 2.08 1.98 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 49 I 8.10 4.18 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.97 0.00 0.00 50 R 8.75 4.70 0.00 1.84 1.81 0.00 3.30 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 51 K 8.50 4.07 0.00 1.70 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.63 7.81 52 D 7.99 4.53 0.00 2.71 2.71 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 53 D 7.83 4.73 0.00 2.66 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 54 E 9.14 5.17 0.00 2.01 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 2.24 0.00 55 V 8.77 4.68 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 0.70 0.00 0.00 1.02 0.00 0.00 56 Q 9.07 5.03 0.00 1.99 2.03 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 2.50 2.27 0.00 57 V 9.22 4.31 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 1.03 0.00 0.00 0.96 0.00 0.00 58 V 8.41 3.93 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 0.72 0.00 0.00 1.01 0.00 0.00 59 R 8.28 4.08 0.00 1.83 1.99 0.00 3.37 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 60 G 7.64 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 0.00 0.00 0.00 0.00 61 H 8.89 4.08 0.00 2.94 3.11 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.12 3.97 0.00 3.17 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 63 K 7.70 4.07 0.00 1.75 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.71 7.81 64 G 9.29 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 0.00 0.00 0.00 65 Q 8.47 4.16 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.40 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 66 Q 8.38 4.30 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 67 I 7.48 4.01 1.88 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 1.19 0.58 0.93 0.00 0.00 68 G 7.87 4.19 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 0.00 0.00 0.00 69 K 8.63 4.78 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.44 7.81 70 V 8.48 4.14 2.24 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 0.84 0.00 0.00 0.95 0.00 0.00 71 V 8.83 3.90 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 0.64 0.00 0.00 0.89 0.00 0.00 72 Q 7.80 4.62 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 73 V 8.10 4.82 2.12 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 1.19 0.00 0.00 1.05 0.00 0.00 74 Y 8.94 4.52 0.00 2.95 2.91 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 0.00 0.00 0.00 75 R 8.90 4.04 0.00 2.00 2.15 0.00 3.09 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 76 K 8.49 4.08 0.00 1.86 2.01 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.48 7.81 77 K 7.65 4.33 0.00 1.67 1.64 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.30 7.81 78 Y 8.21 4.77 0.00 3.09 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 79 V 7.00 4.18 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 0.51 0.00 0.00 0.68 0.00 0.00 80 I 8.02 4.93 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.77 0.00 0.00 81 Y 8.74 4.79 0.00 2.90 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 82 I 8.05 4.89 1.84 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 1.23 1.63 0.85 0.00 0.00 83 E 8.90 4.09 0.00 2.04 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 2.36 2.33 0.00 84 R 8.74 4.51 0.00 2.07 2.15 0.00 3.50 0.00 0.00 3.85 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 85 V 7.85 4.20 2.12 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 0.12 0.00 0.00 1.03 0.00 0.00 86 Q 8.18 5.08 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 87 R 9.51 4.95 0.00 1.88 1.80 0.00 3.10 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 88 E 8.67 4.76 0.00 2.02 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 2.21 2.32 0.00 89 K 8.71 4.35 0.00 2.08 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 90 A 8.51 4.04 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 91 N 8.07 4.37 0.00 2.84 2.97 0.00 0.00 6.19 7.00 0.00 0.00 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 G 7.66 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 93 T 8.39 3.96 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 94 T 8.23 4.99 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 1.18 0.00 0.00 95 V 8.55 4.49 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 0.93 0.00 0.00 0.91 0.00 0.00 96 H 8.71 5.01 0.00 3.52 3.50 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.03 4.25 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 0.07 0.00 0.00 0.84 0.00 0.00 98 G 8.54 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 0.00 0.00 0.00 99 I 7.86 4.70 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.96 0.86 0.00 0.00 100 H 8.60 4.86 0.00 3.24 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.34 0.00 2.49 2.76 0.00 3.91 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 102 S 8.15 4.31 0.00 3.90 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 0.00 103 K 8.43 4.14 0.00 1.97 1.88 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.40 7.81 104 V 7.79 4.95 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 0.77 0.00 0.00 1.02 0.00 0.00 105 V 8.41 4.49 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 0.73 0.00 0.00 0.99 0.00 0.00 106 I 8.31 4.46 1.88 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 1.53 1.94 0.92 0.00 0.00 107 T 8.24 4.39 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 1.22 0.00 0.00 108 R 7.58 4.48 0.00 1.95 1.74 0.00 3.21 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 *110 K 8.61 4.26 0.00 1.78 1.76 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 111 L 8.48 3.92 0.00 1.67 1.68 0.92 1.09 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 0.00 112 D 8.10 4.32 0.00 2.83 2.60 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 0.00 113 K 8.58 3.96 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 114 D 8.19 4.34 0.00 2.68 2.71 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 0.00 115 R 7.92 3.88 0.00 1.87 2.35 0.00 3.18 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 116 K 8.60 3.92 0.00 1.97 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 117 K 8.44 3.95 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.71 7.81 118 I 7.23 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.51 0.90 0.00 0.00 119 L 7.80 4.11 0.00 1.76 1.77 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.71 4.06 0.00 1.97 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 2.32 2.39 0.00 121 R 8.23 4.27 0.00 1.87 1.82 0.00 3.41 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.