NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4256 8.1749 117.3742 63.6635 70.0238 172.8525 2 T 4.5559 8.9800 122.4479 59.9642 71.7004 171.4496 3 I 5.1679 9.2347 120.9266 59.2563 41.2589 174.7151 4 V 4.6514 8.9181 116.6030 59.8162 36.5008 174.4616 5 G 4.5411 8.5840 108.3566 44.6509 0.0000 172.3107 6 V 4.6137 9.0409 123.7298 61.1230 35.0883 174.1033 7 K 4.7684 8.8361 127.5312 55.5037 33.5332 175.9831 8 F 5.1143 8.0965 117.8942 54.4794 41.1806 175.7628 9 N 4.1972 8.9117 118.4583 55.8112 37.1259 174.8464 10 N 4.9826 8.8209 116.5920 51.1876 40.2538 174.2496 11 G 3.4511 6.0349 105.0339 46.0347 0.0000 171.8893 12 V 4.9017 7.4420 119.0376 60.6022 34.3030 174.1161 13 V 4.7930 9.1729 122.0507 60.0306 34.7829 174.3281 14 I 5.2201 8.3644 114.9654 59.5052 40.8173 173.8735 15 A 4.8230 8.7415 123.9940 51.3032 23.2214 174.4317 16 A 5.5493 8.4037 119.1717 52.3748 22.3757 175.6707 17 D 4.8162 8.4481 119.2915 52.5918 41.6605 176.6080 18 T 5.0038 8.1847 107.0200 60.4382 70.6985 172.8842 19 R 4.6687 8.0491 123.1132 56.0063 31.1456 175.4882 20 S 4.9922 9.0534 121.1243 56.6652 65.3156 172.6936 21 T 5.1090 8.4416 115.4441 60.1427 72.0823 173.5800 22 Q 4.4469 9.3209 123.9690 54.8189 30.2586 177.2455 23 G 4.0042 8.1596 115.8126 46.4015 0.0000 171.2699 24 P 4.6896 0.0000 0.0000 62.0587 31.7563 174.6900 25 I 4.2530 7.8491 121.2318 59.8462 38.6185 175.3332 26 V 4.2781 8.1822 124.2095 62.0584 30.8162 175.8077 27 A 4.0782 8.5076 131.1779 54.3154 18.8227 176.4806 28 D 4.8912 7.8220 114.2114 52.4575 42.9867 176.6106 29 K 4.3947 8.6377 124.8029 57.2263 32.8378 177.3685 30 N 5.0908 8.0172 114.8997 53.2322 40.4910 172.6914 31 C 4.7424 9.0349 117.2286 55.6886 32.5058 173.7855 32 A 4.4346 8.3742 124.3162 51.7207 19.2749 177.4152 33 K 4.5281 8.6285 120.6019 56.0767 34.0099 175.3213 34 L 5.1004 7.7625 120.8240 53.5879 43.1714 175.5914 35 H 4.9807 10.0099 121.4927 53.9118 32.6471 172.4722 36 R 3.4916 8.0325 121.6960 54.8452 30.8092 175.5573 37 I 4.0010 8.2535 126.9918 62.5917 38.4446 175.5090 38 S 4.6802 7.1807 112.1014 55.4538 65.7549 172.3437 39 P 4.3713 0.0000 0.0000 64.9887 31.2655 177.7634 40 K 4.6860 8.1784 115.0672 55.8823 32.6913 175.0695 41 I 4.9678 7.7762 120.8084 59.6726 39.5274 174.6639 42 W 5.1346 9.0992 127.0601 54.9416 32.5046 174.7160 43 C 5.4411 9.8920 122.2821 57.6234 35.0986 172.3718 44 A 5.3927 9.2965 126.0990 50.1002 21.2826 175.3588 45 G 4.5739 9.1978 109.8059 44.3548 0.0000 172.0075 46 A 4.8916 9.5345 125.1067 49.5348 22.8471 175.3201 47 G 4.1002 8.9909 102.9261 44.9064 0.0000 176.3554 48 T 4.2204 9.7745 124.6158 62.3404 68.8126 174.9411 49 A 4.0015 9.0157 129.3802 55.5913 18.1825 179.0207 50 A 3.9808 7.9722 118.3332 55.2341 18.4750 179.5446 51 D 4.2340 7.9006 117.3169 57.6863 41.0724 178.8438 52 T 3.8746 8.0590 110.4594 64.6988 68.7056 176.2167 53 E 3.6489 8.1064 121.7231 58.7285 29.7146 178.5214 54 A 3.9427 8.1183 121.2420 55.2431 18.4878 180.0596 55 V 3.4883 8.1495 118.0798 65.1146 31.4845 178.3666 56 T 3.7380 7.7589 113.7774 65.0337 67.1361 176.0151 57 Q 4.0176 8.1475 119.7435 58.1762 28.7775 178.2804 58 L 3.8748 7.8204 121.6599 58.2365 42.1112 179.1232 59 I 3.7634 7.7071 119.9392 64.2025 36.9315 178.4576 60 G 3.5931 7.9518 106.6558 48.2838 0.0000 175.5580 61 S 4.0533 8.1382 115.3476 61.3531 62.4420 176.1080 62 N 4.3766 8.1351 119.1445 56.1474 38.1973 177.5406 63 I 3.6591 8.5371 122.3859 64.3288 37.2452 177.8553 64 E 3.9316 8.3943 120.3763 59.5700 29.5672 179.0083 65 L 4.0839 8.0308 118.7421 57.7763 41.4953 179.1211 66 H 4.1547 8.3658 118.5794 59.1713 29.9178 177.0313 67 S 4.2293 8.5195 115.4224 61.6803 61.9633 176.2520 68 L 4.0163 7.7573 120.0796 58.0243 41.4281 178.6488 69 Y 4.1185 7.9461 118.4614 59.8667 38.9255 176.8604 70 T 4.4463 8.3470 108.7992 60.4612 69.0561 174.8939 71 S 3.7647 7.7629 115.6737 59.5228 61.3122 172.0754 72 R 4.7606 7.2693 115.3672 53.8325 33.1561 175.6532 73 E 4.1274 8.5983 119.8828 55.8078 30.1018 175.6071 74 P 4.4514 0.0000 0.0000 62.6983 32.3574 175.9772 75 R 4.8562 8.1846 120.0932 54.3163 32.5554 177.4528 76 V 3.6104 8.8752 121.7582 66.4519 31.4293 179.0651 77 V 3.7709 7.8224 111.1762 64.0303 31.1945 178.7101 78 S 4.0339 8.0367 115.1170 61.5025 62.7882 176.0569 79 A 3.9473 8.0257 122.9177 55.3209 17.9817 179.3189 80 L 3.8663 8.3351 118.9763 58.3462 42.2164 179.0018 81 Q 3.9513 8.1333 119.7723 59.2861 28.9828 178.1709 82 M 4.0259 8.3498 120.0755 58.3592 31.9984 178.4256 83 L 3.9194 8.0523 119.2064 57.7439 41.8669 179.1439 84 K 3.8378 8.1313 119.2617 60.2138 32.0137 178.7727 85 Q 4.1303 8.1856 117.5800 58.7214 28.2896 178.3697 86 H 4.2667 8.1776 119.6281 59.4080 29.8580 177.2188 87 L 4.0508 8.1777 119.7882 57.7642 41.6926 179.1608 88 F 4.1909 8.3993 120.6548 61.0918 39.1530 176.8427 89 K 3.7281 7.6966 117.8556 59.6871 31.9881 177.1597 90 Y 4.2137 7.6306 115.2909 58.1022 38.2265 175.9575 91 Q 2.9461 7.8219 117.4584 56.8861 27.2276 176.4214 *93 G 4.1183 7.7823 107.0350 45.5325 0.0000 174.7441 94 H 4.3797 8.8877 117.1097 57.0013 28.7426 175.3839 95 I 4.2924 7.0436 119.9964 59.2734 37.7372 177.2967 96 G 4.0855 8.6000 118.9141 45.9318 0.0000 171.6214 97 A 4.9816 7.4795 120.0201 50.3614 21.4462 177.5879 98 Y 4.5151 9.1013 120.4928 56.4489 40.8336 174.8358 99 L 5.3548 8.6633 123.4222 52.8525 45.6284 176.5608 100 I 4.5368 9.0200 122.5648 59.7958 39.4675 174.8815 101 V 4.8807 8.4846 127.0597 59.9106 33.3001 174.8352 102 A 4.8242 10.2335 126.3916 49.5197 23.2087 174.5990 103 G 4.6176 7.7126 106.7679 44.7352 0.0000 172.3214 104 V 4.5718 7.6087 113.2620 59.7054 34.8135 176.1351 105 D 4.2327 8.3848 120.3727 54.1131 38.6805 175.2602 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 1 T 8.17 4.43 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 1.23 0.00 0.00 2 T 8.98 4.56 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 3 I 9.23 5.17 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.92 4.65 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 0.95 0.00 0.00 5 G 8.58 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.04 4.61 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.77 0.00 1.68 1.67 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 8 F 8.10 5.11 0.00 3.21 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 9 N 8.91 4.20 0.00 2.89 3.10 0.00 0.00 5.71 8.04 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 10 N 8.82 4.98 0.00 2.71 2.89 0.00 0.00 7.10 7.55 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 11 G 6.03 3.45 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 0.00 12 V 7.44 4.90 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 0.68 0.00 0.00 1.02 0.00 0.00 13 V 9.17 4.79 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 1.13 0.00 0.00 0.93 0.00 0.00 14 I 8.36 5.22 1.99 0.00 0.00 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 1.31 0.76 0.97 0.00 0.00 15 A 8.74 4.82 1.22 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 16 A 8.40 5.55 1.22 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 17 D 8.45 4.82 0.00 2.70 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 18 T 8.18 5.00 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 1.22 0.00 0.00 19 R 8.05 4.67 0.00 1.81 2.04 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 20 S 9.05 4.99 0.00 3.91 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 21 T 8.44 5.11 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 1.24 0.00 0.00 22 Q 9.32 4.45 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 23 G 8.16 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 24 P 0.00 4.69 0.00 2.18 2.15 0.00 3.75 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 1.91 1.96 0.00 25 I 7.85 4.25 1.98 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 1.18 0.46 0.91 0.00 0.00 26 V 8.18 4.28 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 0.78 0.00 0.00 0.93 0.00 0.00 27 A 8.51 4.08 1.30 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 0.00 0.00 0.00 28 D 7.82 4.89 0.00 2.69 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 29 K 8.64 4.39 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.02 5.09 0.00 2.68 2.68 0.00 0.00 7.03 7.53 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 31 C 9.03 4.74 0.00 3.09 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 32 A 8.37 4.43 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 33 K 8.63 4.53 0.00 1.72 1.84 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 34 L 7.76 5.10 0.00 1.59 1.84 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 H 10.01 4.98 0.00 2.91 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.03 3.49 0.00 0.67 1.13 0.00 3.05 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 37 I 8.25 4.00 1.95 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 1.10 0.95 0.85 0.00 0.00 38 S 7.18 4.68 0.00 3.76 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 39 P 0.00 4.37 0.00 2.15 2.19 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 40 K 8.18 4.69 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 41 I 7.78 4.97 1.87 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 1.25 0.66 1.01 0.00 0.00 42 W 9.10 5.13 0.00 3.28 3.21 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 43 C 9.89 5.44 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.30 5.39 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 45 G 9.20 4.57 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 46 A 9.53 4.89 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 47 G 8.99 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 48 T 9.77 4.22 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 1.26 0.00 0.00 49 A 9.02 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.97 3.98 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 51 D 7.90 4.23 0.00 2.95 2.69 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 52 T 8.06 3.87 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 1.33 0.00 0.00 53 E 8.11 3.65 0.00 2.15 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 0.00 2.30 2.34 0.00 54 A 8.12 3.94 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 55 V 8.15 3.49 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 0.79 0.00 0.00 0.92 0.00 0.00 56 T 7.76 3.74 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 1.16 0.00 0.00 57 Q 8.15 4.02 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 58 L 7.82 3.87 0.00 1.77 1.68 0.88 0.96 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 59 I 7.71 3.76 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 0.87 0.00 0.00 60 G 7.95 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.14 4.05 0.00 3.87 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 62 N 8.14 4.38 0.00 2.87 2.82 0.00 0.00 7.10 7.44 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 63 I 8.54 3.66 2.04 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 1.51 0.80 0.90 0.00 0.00 64 E 8.39 3.93 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 2.31 2.37 0.00 65 L 8.03 4.08 0.00 1.93 1.72 0.92 0.85 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 66 H 8.37 4.15 0.00 3.27 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.52 4.23 0.00 3.92 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 68 L 7.76 4.02 0.00 1.70 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.95 4.12 0.00 3.10 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 70 T 8.35 4.45 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 1.19 0.00 0.00 71 S 7.76 3.76 0.00 4.01 3.94 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 72 R 7.27 4.76 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 73 E 8.60 4.13 0.00 1.97 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 2.33 2.30 0.00 74 P 0.00 4.45 0.00 2.05 1.99 0.00 3.67 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 2.04 2.13 0.00 75 R 8.18 4.86 0.00 1.85 1.86 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.88 3.61 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 1.09 0.00 0.00 1.00 0.00 0.00 77 V 7.82 3.77 2.07 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 0.78 0.00 0.00 0.93 0.00 0.00 78 S 8.04 4.03 0.00 4.04 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 79 A 8.03 3.95 1.33 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 0.00 0.00 0.00 80 L 8.34 3.87 0.00 1.85 1.83 0.93 0.59 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 81 Q 8.13 3.95 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.35 4.03 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 83 L 8.05 3.92 0.00 1.68 1.73 0.94 0.92 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 84 K 8.13 3.84 0.00 1.82 2.07 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.50 7.81 85 Q 8.19 4.13 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 86 H 8.18 4.27 0.00 3.41 3.54 0.00 5.79 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 87 L 8.18 4.05 0.00 1.68 1.72 0.87 0.74 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 88 F 8.40 4.19 0.00 3.27 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 89 K 7.70 3.73 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.80 1.24 7.81 90 Y 7.63 4.21 0.00 2.99 2.94 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 91 Q 7.82 2.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.43 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 *93 G 7.78 4.12 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 0.00 0.00 0.00 94 H 8.89 4.38 0.00 3.30 3.39 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.04 4.29 1.80 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 0.88 0.00 0.00 96 G 8.60 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 0.00 0.00 0.00 0.00 97 A 7.48 4.98 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.10 4.52 0.00 3.03 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 99 L 8.66 5.35 0.00 1.52 1.67 0.92 0.88 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 0.00 100 I 9.02 4.54 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.96 0.00 0.00 101 V 8.48 4.88 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 10.23 4.82 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 0.00 103 G 7.71 4.62 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 0.00 0.00 0.00 104 V 7.61 4.57 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 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.38 4.23 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.