NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2136 8.2531 123.5767 51.8505 19.2146 175.9704 16 G 3.6001 7.7038 113.2612 47.9195 0.0000 171.8171 17 I 3.6329 7.8526 122.6513 63.3599 38.4260 176.0073 18 T 3.8797 7.6509 116.0060 62.9239 68.9811 174.8959 19 G 3.5749 6.8198 112.0554 45.0988 0.0000 170.5965 20 T 4.7457 7.4565 116.4605 61.4609 70.9247 173.8889 21 W 5.1474 9.1464 125.0475 55.1013 33.9935 173.7949 22 Y 5.9418 10.2456 118.9871 55.5109 41.9284 175.4770 23 N 5.5329 8.9828 120.8442 50.4839 39.7798 175.6053 24 Q 4.0793 8.6722 116.1055 59.2388 28.5137 177.9892 25 L 4.0620 8.0116 117.4681 55.9848 41.9668 177.8101 26 G 4.0833 8.3223 106.0641 45.1093 0.0000 173.6356 27 S 4.5502 8.4958 115.8232 58.6065 64.4121 173.2032 28 T 4.8381 9.1037 119.9235 61.7747 71.0755 173.2248 29 F 5.0274 9.0465 129.2958 56.6287 41.7216 173.9500 30 I 4.6067 8.3285 128.8582 59.6310 38.6837 175.5141 31 V 4.5695 8.2092 126.7374 59.8312 34.9527 174.6061 32 T 4.6952 8.8877 119.4144 61.7099 71.2433 172.7220 33 A 4.8608 8.4978 129.2541 50.0666 20.2718 177.2231 34 G 3.8096 9.4554 112.3745 45.0500 0.0000 174.4813 35 A 4.1779 8.4677 122.9731 54.2272 18.6092 178.4956 36 D 4.4290 7.9258 113.5941 53.6981 40.2603 177.1938 37 G 3.3408 8.0342 108.4571 44.7584 0.0000 172.8321 38 A 4.7806 8.2545 122.0936 51.0952 20.4911 176.7878 39 L 5.2711 8.9211 121.6638 53.1646 44.8193 175.8925 40 T 4.9783 9.3217 112.6878 59.5840 72.7031 174.6918 41 G 3.6759 6.8478 108.4712 46.3604 0.0000 170.8800 42 T 5.1797 7.6257 113.7380 60.4385 71.4587 173.5716 43 Y 5.1165 9.5498 127.7073 55.8213 42.1347 173.5318 44 E 4.9767 9.3380 128.4696 54.5643 31.5465 174.9100 45 S 5.0148 9.3485 121.9331 57.8489 63.5836 173.4881 46 A 4.7190 8.3748 126.3428 51.8913 19.1813 176.3201 47 V 4.1958 7.9666 110.1312 61.7532 35.9292 174.2925 48 G 3.6310 8.2197 110.1448 45.1444 0.0000 173.4687 49 N 4.5642 8.1398 115.3037 51.9219 37.2592 173.9134 50 A 4.9978 7.2381 122.0620 50.7744 23.1083 175.9239 51 E 4.4956 9.2331 116.1029 57.1481 32.4837 174.6299 52 S 4.1944 8.9133 115.8389 56.6736 62.6159 167.9688 53 R 4.9750 8.0193 116.9980 55.2795 32.0550 175.6133 54 Y 4.8517 9.3445 118.9370 55.9680 41.8732 175.3952 55 V 4.3534 8.5860 122.8807 62.9251 32.4541 175.0590 56 L 5.3619 9.0009 126.6749 53.3367 44.1772 175.1335 57 T 4.8694 8.3587 113.5451 61.3201 71.4513 172.9082 58 G 4.3267 8.7050 112.3451 46.2321 0.0000 171.8613 59 R 5.5799 8.8462 117.3946 55.0056 34.7736 174.2325 60 Y 5.2756 8.7900 118.6287 55.5380 41.9591 174.5371 61 D 4.2962 9.1763 120.9737 54.1692 40.5378 176.8761 62 S 4.2333 8.0991 120.7397 59.1608 64.0575 174.4505 63 A 4.6710 8.1117 123.6038 50.0734 18.7149 173.6037 64 P 5.0680 0.0000 0.0000 61.0598 32.6358 176.8241 65 A 3.8433 8.1756 122.2919 54.6122 18.1287 178.4961 *69 S 4.4486 8.4701 112.2188 56.8534 64.9086 174.4955 70 G 4.4946 7.7964 105.2317 45.5872 0.0000 173.2505 71 T 4.8207 8.7187 117.0928 61.4513 70.3203 174.5419 72 A 4.8507 8.7047 129.3026 52.2330 19.9937 175.8551 73 L 5.0634 8.9063 120.4211 55.5491 44.6603 173.8648 74 G 4.6037 9.2395 104.6692 46.0139 0.0000 172.3166 75 W 5.6541 8.5188 116.9657 55.8637 32.0011 173.3527 76 T 5.2542 9.3912 116.8881 61.8440 72.4232 173.3632 77 V 4.3825 8.7646 123.6954 61.0155 34.5699 173.9353 78 A 4.5032 8.3396 129.6872 49.6471 20.1851 177.9495 79 W 4.1723 8.7271 126.1125 55.5477 28.1342 176.3767 80 K 5.2792 7.7986 118.1897 54.7596 34.0863 174.5947 81 N 5.0207 9.2045 123.2013 51.8909 39.8097 174.2627 82 N 4.3522 8.6562 113.7261 56.1478 38.9045 175.6286 83 Y 4.4812 7.4198 115.2125 59.3043 38.9919 175.4876 84 R 4.6844 9.2097 114.6955 55.0520 32.7248 173.5612 85 N 5.1515 8.4189 115.9330 52.4147 40.5001 173.6392 86 A 4.3582 9.3754 129.0595 52.2026 19.6833 176.2459 87 H 4.1702 8.7988 113.6728 55.9001 26.9683 173.5191 88 S 5.1624 7.6056 110.9687 57.9026 67.0836 173.5549 89 A 4.9377 8.8341 120.4483 51.0214 22.8197 175.3398 90 T 5.0129 8.7548 118.4067 61.6917 71.7822 173.3577 91 T 4.9305 8.3420 115.3772 59.5781 71.8404 172.7100 92 W 4.8562 8.9607 125.2001 54.6885 32.0119 174.5451 93 S 4.8786 9.0986 119.2370 56.7716 64.9431 172.7285 94 G 4.2799 8.7260 113.6543 46.4905 0.0000 171.6630 95 Q 5.2677 8.6028 118.8122 54.9397 32.6581 173.6455 96 Y 4.9206 9.2152 123.9769 56.6839 40.7787 174.1640 97 V 4.1819 8.8300 126.9606 61.0707 34.2821 175.4682 98 G 3.6870 8.0293 116.0984 44.6870 0.0000 169.5302 99 G 3.8272 8.9623 103.9023 43.8872 0.0000 172.9770 100 A 4.1673 8.9217 121.8786 54.8731 18.3875 178.5990 101 E 4.5930 7.7032 113.1392 53.7167 29.0373 174.5475 102 A 4.5028 8.0081 126.7302 53.4238 19.5736 177.2130 103 R 5.2874 9.3727 119.6606 54.8813 35.6596 174.5885 104 I 4.7733 8.9955 121.7734 59.8779 40.4412 174.4091 105 N 5.2664 9.0435 126.5440 52.2413 39.8298 174.8200 106 T 5.3395 9.5495 114.0302 60.0122 73.0985 172.7488 107 Q 5.1325 9.1880 121.1320 53.8636 32.4475 174.7933 108 W 5.3939 8.3632 118.6949 54.7730 32.3971 173.8585 109 L 5.2047 8.8381 120.5784 52.9493 44.8290 175.2126 110 L 4.9869 9.3034 126.7622 53.7557 44.4329 174.8861 111 T 5.0580 8.6448 123.6863 61.9827 70.9586 173.8921 112 S 5.0263 9.0596 122.8956 56.7789 64.9274 174.3394 113 G 3.9007 8.9034 112.1647 46.4548 0.0000 173.0783 114 T 4.7781 8.3041 114.2769 59.5636 71.9097 173.1532 115 T 4.2341 8.0042 112.0072 60.9762 70.2166 175.0367 116 E 4.1032 8.5982 119.3375 58.6855 29.7749 179.3364 117 A 4.2094 8.0630 120.9453 54.2250 18.8619 177.6180 118 N 4.7856 7.8340 110.0509 52.8195 39.5284 176.3996 119 A 4.1302 7.8207 121.4195 54.1400 18.5817 179.4391 120 W 4.4279 8.3025 112.2445 58.4731 28.5266 176.3789 121 K 4.2018 6.7080 118.3648 55.8573 32.0724 176.6597 122 S 4.4356 7.7260 113.7694 60.2594 65.0795 174.1111 123 T 5.1130 7.6407 117.0629 61.7688 70.8854 173.4841 124 L 4.7758 9.2661 126.9027 53.4342 44.0834 176.0062 125 V 4.4482 7.8844 120.3700 60.3100 34.4915 174.9738 126 G 3.0734 6.5151 108.4043 45.5367 0.0000 171.1072 127 H 5.3634 7.9890 113.8139 53.9473 31.8607 172.6831 128 D 5.2307 9.4959 119.7012 53.0723 45.6105 174.4704 129 T 5.1373 8.9936 118.9722 61.9811 71.2538 173.0282 130 F 5.4785 9.7491 126.4356 56.2377 41.3380 175.2468 131 T 5.5763 9.4146 112.6215 60.0920 72.7269 174.3130 132 K 4.4950 8.8211 118.9667 56.4190 32.3307 177.4080 133 V 3.9253 7.8065 124.5718 62.9443 31.4816 175.3476 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 15 A 8.25 4.21 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 16 G 7.70 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 0.00 0.00 0.00 17 I 7.85 3.63 1.28 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.44 0.00 0.00 18 T 7.65 3.88 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 1.11 0.00 0.00 19 G 6.82 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 20 T 7.46 4.75 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 0.79 0.00 0.00 21 W 9.15 5.15 0.00 3.34 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 22 Y 10.25 5.94 0.00 2.93 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 23 N 8.98 5.53 0.00 2.36 1.57 0.00 0.00 6.47 7.36 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 24 Q 8.67 4.08 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 8.01 4.06 0.00 1.95 1.82 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.32 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 0.00 0.00 0.00 27 S 8.50 4.55 0.00 4.04 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 28 T 9.10 4.84 4.20 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 1.01 0.00 0.00 29 F 9.05 5.03 0.00 2.68 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 30 I 8.33 4.61 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.75 0.00 0.00 31 V 8.21 4.57 0.67 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 0.05 0.00 0.00 0.48 0.00 0.00 32 T 8.89 4.70 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 1.14 0.00 0.00 33 A 8.50 4.86 0.62 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 34 G 9.46 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 0.00 0.00 0.00 35 A 8.47 4.18 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 36 D 7.93 4.43 0.00 2.78 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 37 G 8.03 3.34 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 0.00 38 A 8.25 4.78 1.38 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 39 L 8.92 5.27 0.00 1.75 1.50 1.07 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.32 4.98 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 1.21 0.00 0.00 41 G 6.85 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 0.00 0.00 0.00 42 T 7.63 5.18 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 1.17 0.00 0.00 43 Y 9.55 5.12 0.00 3.05 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 44 E 9.34 4.98 0.00 2.08 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 2.29 2.31 0.00 45 S 9.35 5.01 0.00 4.48 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 46 A 8.37 4.72 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 47 V 7.97 4.20 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 0.63 0.00 0.00 0.84 0.00 0.00 48 G 8.22 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 49 N 8.14 4.56 0.00 2.63 2.65 0.00 0.00 6.56 7.96 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 50 A 7.24 5.00 1.54 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 51 E 9.23 4.50 0.00 2.04 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 2.32 2.16 0.00 52 S 8.91 4.19 0.00 3.75 4.20 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 53 R 8.02 4.98 0.00 1.73 1.88 0.00 3.23 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 54 Y 9.34 4.85 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 55 V 8.59 4.35 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 9.00 5.36 0.00 2.01 1.79 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.36 4.87 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 1.26 0.00 0.00 58 G 8.70 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 0.00 0.00 0.00 0.00 59 R 8.85 5.58 0.00 1.77 1.79 0.00 3.33 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.79 5.28 0.00 3.09 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 61 D 9.18 4.30 0.00 2.80 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 62 S 8.10 4.23 0.00 3.97 3.38 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 63 A 8.11 4.67 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 64 P 0.00 5.07 0.00 2.27 2.19 0.00 3.44 0.00 0.00 4.57 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 65 A 8.18 3.84 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 *69 S 8.47 4.45 0.00 3.89 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 0.00 70 G 7.80 4.49 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 0.00 0.00 0.00 71 T 8.72 4.82 4.56 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 0.00 0.00 0.00 1.51 0.00 0.00 72 A 8.70 4.85 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 73 L 8.91 5.06 0.00 2.08 1.97 0.94 0.69 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 74 G 9.24 4.60 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 0.00 0.00 0.00 75 W 8.52 5.65 0.00 3.55 3.25 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 76 T 9.39 5.25 4.27 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 1.19 0.00 0.00 77 V 8.76 4.38 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 -0.40 0.00 0.00 0.78 0.00 0.00 78 A 8.34 4.50 1.19 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 79 W 8.73 4.17 0.00 3.25 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 80 K 7.80 5.28 0.00 1.93 1.72 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 81 N 9.20 5.02 0.00 2.76 2.52 0.00 0.00 6.64 6.94 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 82 N 8.66 4.35 0.00 2.01 2.26 0.00 0.00 6.72 7.46 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 83 Y 7.42 4.48 0.00 3.38 3.20 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 84 R 9.21 4.68 0.00 2.00 2.10 0.00 2.83 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 85 N 8.42 5.15 0.00 2.67 2.63 0.00 0.00 6.91 7.96 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 86 A 9.38 4.36 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 87 H 8.80 4.17 0.00 3.32 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.61 5.16 0.00 4.06 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 89 A 8.83 4.94 1.17 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 0.00 0.00 0.00 90 T 8.75 5.01 3.49 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 -0.60 0.00 0.00 91 T 8.34 4.93 4.16 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 1.15 0.00 0.00 92 W 8.96 4.86 0.00 1.78 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 0.00 0.00 0.00 93 S 9.10 4.88 0.00 3.78 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 94 G 8.73 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 0.00 0.00 0.00 0.00 95 Q 8.60 5.27 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.22 4.92 0.00 2.99 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 97 V 8.83 4.18 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 0.91 0.00 0.00 0.90 0.00 0.00 98 G 8.03 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 99 G 8.96 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 0.00 0.00 0.00 100 A 8.92 4.17 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 0.00 101 E 7.70 4.59 0.00 2.10 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 0.00 2.19 2.30 0.00 102 A 8.01 4.50 1.55 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 0.00 0.00 103 R 9.37 5.29 0.00 1.77 2.00 0.00 3.16 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 104 I 9.00 4.77 1.86 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 1.06 0.00 0.00 105 N 9.04 5.27 0.00 2.74 2.83 0.00 0.00 6.18 7.09 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 0.00 106 T 9.55 5.34 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 1.42 0.00 0.00 107 Q 9.19 5.13 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 108 W 8.36 5.39 0.00 2.61 2.25 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 0.00 109 L 8.84 5.20 0.00 1.50 1.53 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.30 4.99 0.00 1.55 1.68 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.64 5.06 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 1.19 0.00 0.00 112 S 9.06 5.03 0.00 3.65 3.75 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 0.00 113 G 8.90 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 0.00 0.00 0.00 114 T 8.30 4.78 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 1.16 0.00 0.00 115 T 8.00 4.23 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 1.21 0.00 0.00 116 E 8.60 4.10 0.00 2.08 2.06 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 2.41 2.32 0.00 117 A 8.06 4.21 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 0.00 118 N 7.83 4.79 0.00 2.72 2.68 0.00 0.00 6.76 7.76 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 0.00 119 A 7.82 4.13 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 0.00 120 W 8.30 4.43 0.00 3.57 3.25 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 0.00 121 K 6.71 4.20 0.00 1.24 0.74 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.45 0.21 7.81 122 S 7.73 4.44 0.00 4.04 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 0.00 123 T 7.64 5.11 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 1.19 0.00 0.00 124 L 9.27 4.78 0.00 1.73 1.75 0.94 0.63 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 0.00 125 V 7.88 4.45 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 0.55 0.00 0.00 0.68 0.00 0.00 126 G 6.52 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 0.00 0.00 0.00 127 H 7.99 5.36 0.00 3.14 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.50 5.23 0.00 3.10 2.54 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 0.00 129 T 8.99 5.14 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 1.39 0.00 0.00 130 F 9.75 5.48 0.00 3.14 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 0.00 131 T 9.41 5.58 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 1.40 0.00 0.00 132 K 8.82 4.49 0.00 1.55 1.64 0.00 1.02 0.00 0.00 1.20 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.21 7.81 133 V 7.81 3.93 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 0.74 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.