NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9973 8.2548 109.0998 45.0370 0.0000 174.6407 17 I 3.5885 7.2117 121.3170 63.2533 37.4787 175.4825 18 T 3.8192 7.8238 116.4642 62.7525 69.8397 174.3726 19 G 3.5947 7.1764 112.7692 45.0507 0.0000 170.3593 20 T 4.6873 7.3784 116.6346 61.4527 70.3105 174.3313 21 W 4.9915 8.9230 125.8668 55.0175 33.4566 174.0828 22 Y 6.1340 9.7952 119.0001 55.5274 41.8713 175.1377 23 N 5.9570 8.9240 120.2897 50.4349 40.1244 175.4301 24 Q 4.0556 8.6225 115.7441 58.8537 28.7428 177.1239 25 L 4.1481 8.0790 116.9198 55.3926 42.0748 177.6099 26 G 4.0013 8.3528 107.0827 45.2625 0.0000 173.9474 27 S 4.5707 8.3661 115.9548 58.7646 64.4779 173.2952 28 T 4.7975 8.7023 119.6267 61.8612 70.9631 173.1423 29 F 5.0323 9.2171 130.1551 56.6410 41.4643 173.9081 30 I 4.6456 8.4442 128.7671 59.4291 38.9152 175.5379 31 V 4.7217 8.2163 126.3512 59.8366 35.2671 174.3329 32 T 4.6878 8.7330 112.4115 59.8028 71.5383 172.3395 33 A 4.8706 8.7598 128.0110 50.2195 20.5592 176.7050 34 G 4.1076 9.2713 110.6089 44.8434 0.0000 174.8954 35 A 4.2259 8.7849 123.2354 54.3108 18.5894 178.1392 36 D 4.6744 8.1831 113.7235 54.2112 41.4194 176.7097 37 G 3.4825 8.2309 105.2508 43.4768 0.0000 173.5054 38 A 4.7324 7.9534 122.0027 51.4876 20.2320 176.4914 39 L 5.3236 9.0150 122.1833 53.1871 44.5518 175.8862 40 T 4.9826 9.2512 112.6912 59.4910 72.7289 174.5961 41 G 3.7845 6.9471 108.6529 46.4223 0.0000 171.1754 42 T 5.3207 7.7873 110.2402 60.1982 72.9345 172.6902 43 Y 5.0718 9.2235 123.4131 55.8749 42.6215 173.6605 44 E 5.2248 8.7679 126.4690 54.8384 32.1002 176.0051 45 S 4.9466 9.4265 120.7653 59.1572 63.1058 174.2732 *52 K 4.0367 7.6141 117.9943 56.9550 31.9370 174.9364 53 R 4.7197 7.8686 120.4684 55.3988 31.7938 175.5417 54 Y 4.8091 8.8705 118.0856 55.8287 41.5670 175.5171 55 V 4.2960 8.5885 122.9991 63.0443 32.4306 175.0323 56 L 5.4877 8.8107 126.3014 53.3451 43.9812 175.1574 57 T 4.8245 8.2851 113.8169 61.3744 71.5557 173.1820 58 G 4.6784 8.5519 110.9676 46.4459 0.0000 172.1760 59 R 5.6342 8.7568 117.6088 54.9568 35.1608 174.0931 60 Y 5.2963 8.8883 118.5935 55.2829 42.4118 174.1407 61 D 4.3750 9.1244 120.5442 54.0745 40.5116 176.7584 62 S 4.2593 8.0759 120.6081 58.9847 63.8338 174.8839 63 A 4.6539 8.0029 123.7964 50.0666 18.9366 173.8361 64 P 4.8819 0.0000 0.0000 60.7685 32.6764 177.2469 65 A 4.2295 8.4099 122.0329 52.9839 18.6884 177.3791 66 T 4.6959 8.2844 108.4732 61.8209 69.2960 174.5413 67 D 4.8284 8.5352 118.3634 54.1387 39.7845 176.7336 68 G 3.9967 8.4296 108.6775 45.7815 0.0000 174.7156 69 S 4.2616 7.7837 115.4466 58.2382 63.2986 174.1782 70 G 3.9703 8.3907 110.4339 46.5441 0.0000 172.6159 71 T 4.8207 8.8253 116.4948 61.4602 70.2840 174.7643 72 A 4.8561 8.6967 129.2856 52.2589 19.9181 175.8244 73 L 5.0403 9.0116 119.9811 55.6227 44.5910 173.8955 74 G 4.6650 9.2611 105.4471 45.6945 0.0000 172.0812 75 W 5.8227 8.6594 117.1400 55.6230 32.4293 173.4099 76 T 5.1668 9.2632 116.7617 61.7787 71.9383 173.3110 77 V 4.6739 8.7117 124.6778 60.9438 34.2390 173.9915 78 A 4.6042 8.3876 129.7747 49.9288 20.0264 177.6087 79 W 4.1702 8.6969 125.5153 56.4606 28.8492 176.4773 80 K 5.2790 8.0096 118.4536 54.6838 34.7399 174.3565 81 N 5.0221 8.8598 123.4488 51.8259 39.6511 173.6007 82 N 4.3026 8.5651 113.7075 55.6436 38.7597 175.1627 83 Y 4.6929 8.0167 114.5610 58.3834 40.1619 175.9823 84 R 4.7484 7.8382 116.6379 54.8596 34.2696 173.6868 85 N 5.2464 8.5155 118.1043 52.4930 40.7744 173.9522 86 A 4.2395 8.9807 128.5583 51.9642 19.9500 176.2260 87 H 4.1550 8.4484 113.5382 55.7397 26.6899 173.0908 88 S 5.2007 7.3436 112.3015 57.9190 66.8879 175.0782 89 A 5.1139 9.0831 121.3548 50.9385 22.8335 175.2307 90 T 4.9000 8.8579 118.4767 61.7321 71.6996 173.3594 91 T 4.8622 8.3639 115.7462 59.6286 71.7589 172.8835 92 W 4.9420 8.5391 124.9466 54.8347 31.5501 174.8099 93 S 4.9883 8.7396 119.5590 56.8543 64.9282 173.1796 94 G 4.5535 8.6323 112.9429 46.4854 0.0000 171.6464 95 Q 5.3042 8.4521 117.5824 54.7881 32.2260 173.6534 96 Y 4.8509 9.2478 123.7911 57.1334 40.6761 174.1459 97 V 4.1046 8.4470 126.6407 61.0344 34.1189 175.4812 98 G 3.8390 8.1102 115.9307 45.0646 0.0000 171.7321 99 G 4.0209 8.6917 103.5382 43.9607 0.0000 173.8718 100 A 4.0922 8.6256 121.3891 54.4381 19.0630 177.8108 101 E 4.6053 7.7330 115.0264 54.2263 29.2031 174.5344 102 A 4.5843 7.8677 122.0056 52.0734 19.5825 177.8294 103 R 5.1062 8.9098 117.9615 55.5078 33.7862 174.0734 104 I 4.9324 8.7110 120.7736 59.8076 40.1253 174.3643 105 N 5.3947 9.0247 125.9255 52.1449 40.1481 174.6682 106 T 5.3360 9.1455 113.1514 60.1406 73.0463 172.7218 107 Q 5.0791 9.0668 120.8920 53.9272 32.7538 174.6830 108 W 5.4449 8.4417 117.8081 54.7635 32.3978 173.8452 109 L 5.1264 8.7132 120.4173 52.9976 44.7420 175.2724 110 L 4.9086 9.3753 127.1982 53.8207 44.0319 174.8652 111 T 4.9180 8.6712 124.3929 62.2008 70.3184 174.3568 112 S 4.9345 8.8473 123.6301 56.8697 64.5083 174.6008 113 G 3.8604 8.8076 112.3071 46.8473 0.0000 172.9768 114 T 4.7933 8.3357 114.0717 59.3926 72.3467 173.3278 115 T 4.4267 8.0643 112.1495 61.0626 69.9880 174.9731 116 E 3.9382 8.7941 121.6613 59.4528 29.2941 178.5803 117 A 4.1656 8.0629 119.4118 54.3857 18.7730 178.1163 118 N 4.7088 7.7632 112.3155 53.2420 39.0979 176.7676 119 A 4.3305 8.1053 126.0395 54.1997 18.1728 180.0451 120 W 4.2792 8.3493 113.9060 58.6310 28.2945 176.8133 121 K 3.9839 6.4536 117.5118 56.0154 32.1199 177.5658 122 S 4.1196 7.7605 116.8049 61.1886 63.3497 173.4694 123 T 5.0523 7.4949 117.0324 61.6988 71.0907 173.5360 124 L 4.7433 8.9456 127.1453 53.5168 43.9133 176.1286 125 V 4.3746 7.7719 120.4802 60.3509 34.5168 175.2666 126 G 3.1563 6.2057 107.5375 45.8776 0.0000 171.0010 127 H 5.3279 8.1050 114.6061 54.1703 31.5727 172.6357 128 D 5.3273 9.2423 121.5966 52.8074 44.8022 174.7194 129 T 5.2347 8.9407 118.8877 61.8752 71.6174 173.0189 130 F 5.6345 9.5806 125.5601 56.1786 41.8318 174.9894 131 T 5.6816 9.2766 112.4454 60.0580 72.5157 174.6071 132 K 4.0579 8.9634 119.2458 57.3597 32.4330 177.3475 133 V 4.4542 7.3516 119.1184 60.2794 33.4519 175.4835 134 K 3.7790 8.1285 126.1903 55.4783 32.5680 175.1305 135 P 4.4227 0.0000 0.0000 63.2142 31.1457 176.1983 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 16 G 8.25 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 17 I 7.21 3.59 1.31 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.34 0.52 0.00 0.00 18 T 7.82 3.82 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 1.12 0.00 0.00 19 G 7.18 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 20 T 7.38 4.69 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 0.78 0.00 0.00 21 W 8.92 4.99 0.00 3.25 3.32 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 22 Y 9.80 6.13 0.00 2.93 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 23 N 8.92 5.96 0.00 2.43 1.57 0.00 0.00 6.49 7.65 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 24 Q 8.62 4.06 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.08 4.15 0.00 1.91 1.82 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.35 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 27 S 8.37 4.57 0.00 4.11 3.86 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 28 T 8.70 4.80 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 1.10 0.00 0.00 29 F 9.22 5.03 0.00 2.67 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 30 I 8.44 4.65 1.73 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 0.41 0.75 0.00 0.00 31 V 8.22 4.72 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 0.11 0.00 0.00 0.56 0.00 0.00 32 T 8.73 4.69 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 1.09 0.00 0.00 33 A 8.76 4.87 0.59 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 34 G 9.27 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 0.00 0.00 0.00 35 A 8.78 4.23 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 8.18 4.67 0.00 2.60 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 37 G 8.23 3.48 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 0.00 0.00 0.00 38 A 7.95 4.73 1.29 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 0.00 0.00 0.00 39 L 9.01 5.32 0.00 1.66 1.52 1.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.25 4.98 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 1.21 0.00 0.00 41 G 6.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 5.32 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 1.21 0.00 0.00 43 Y 9.22 5.07 0.00 3.00 2.83 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 44 E 8.77 5.22 0.00 2.13 1.80 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 2.31 2.54 0.00 45 S 9.43 4.95 0.00 4.27 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 *52 K 7.61 4.04 0.00 1.94 1.79 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.46 7.81 53 R 7.87 4.72 0.00 1.80 1.89 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 54 Y 8.87 4.81 0.00 2.82 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 55 V 8.59 4.30 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.81 5.49 0.00 2.08 1.81 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.29 4.82 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 1.27 0.00 0.00 58 G 8.55 4.68 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 59 R 8.76 5.63 0.00 1.77 1.80 0.00 3.30 0.00 0.00 3.25 7.22 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 8.89 5.30 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.37 0.00 2.80 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 62 S 8.08 4.26 0.00 3.96 3.35 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 63 A 8.00 4.65 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 4.88 0.00 2.27 2.17 0.00 3.45 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.41 4.23 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 66 T 8.28 4.70 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 1.24 0.00 0.00 67 D 8.54 4.83 0.00 2.76 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 68 G 8.43 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 69 S 7.78 4.26 0.00 3.96 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 70 G 8.39 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 71 T 8.83 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 1.48 0.00 0.00 72 A 8.70 4.86 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 9.01 5.04 0.00 2.10 1.96 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.26 4.67 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 0.00 0.00 0.00 75 W 8.66 5.82 0.00 3.55 3.29 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 0.00 76 T 9.26 5.17 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 1.18 0.00 0.00 77 V 8.71 4.67 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 -0.47 0.00 0.00 0.81 0.00 0.00 78 A 8.39 4.60 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 79 W 8.70 4.17 0.00 3.32 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 80 K 8.01 5.28 0.00 1.93 1.75 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 N 8.86 5.02 0.00 2.62 2.41 0.00 0.00 7.06 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 82 N 8.57 4.30 0.00 1.80 2.31 0.00 0.00 6.62 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 8.02 4.69 0.00 3.06 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 84 R 7.84 4.75 0.00 2.11 1.92 0.00 3.22 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 85 N 8.52 5.25 0.00 2.64 2.59 0.00 0.00 6.96 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 8.98 4.24 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 87 H 8.45 4.16 0.00 3.35 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.34 5.20 0.00 3.97 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 89 A 9.08 5.11 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 90 T 8.86 4.90 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 -0.42 0.00 0.00 91 T 8.36 4.86 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 1.15 0.00 0.00 92 W 8.54 4.94 0.00 1.78 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 0.00 0.00 0.00 93 S 8.74 4.99 0.00 3.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.55 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 0.00 95 Q 8.45 5.30 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 Y 9.25 4.85 0.00 3.02 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 8.45 4.10 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 0.84 0.00 0.00 0.89 0.00 0.00 98 G 8.11 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 0.00 0.00 0.00 99 G 8.69 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 0.00 0.00 0.00 100 A 8.63 4.09 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 7.73 4.61 0.00 1.90 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 2.21 2.36 0.00 102 A 7.87 4.58 1.48 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 0.00 0.00 103 R 8.91 5.11 0.00 2.11 2.14 0.00 2.78 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 I 8.71 4.93 1.79 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.25 1.09 0.00 0.00 105 N 9.02 5.39 0.00 2.73 2.81 0.00 0.00 6.08 6.74 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 0.00 106 T 9.15 5.34 4.45 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 1.50 0.00 0.00 107 Q 9.07 5.08 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 108 W 8.44 5.44 0.00 2.55 2.28 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 0.00 109 L 8.71 5.13 0.00 1.52 1.53 0.87 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.38 4.91 0.00 1.53 1.70 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.67 4.92 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 1.19 0.00 0.00 112 S 8.85 4.93 0.00 3.66 3.74 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 0.00 113 G 8.81 3.86 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 0.00 0.00 0.00 114 T 8.34 4.79 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 1.19 0.00 0.00 115 T 8.06 4.43 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 8.79 3.94 0.00 2.07 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 0.00 2.41 2.40 0.00 117 A 8.06 4.17 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 0.00 118 N 7.76 4.71 0.00 2.67 2.68 0.00 0.00 6.78 8.66 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 0.00 119 A 8.11 4.33 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.35 4.28 0.00 3.58 3.27 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 0.00 121 K 6.45 3.98 0.00 1.03 0.74 0.00 1.19 0.00 0.00 1.17 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.75 7.81 122 S 7.76 4.12 0.00 4.15 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 0.00 123 T 7.49 5.05 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 1.22 0.00 0.00 124 L 8.95 4.74 0.00 1.81 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.77 4.37 1.89 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 0.54 0.00 0.00 0.64 0.00 0.00 126 G 6.21 3.16 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 0.00 127 H 8.10 5.33 0.00 3.15 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.24 5.33 0.00 3.04 2.33 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 0.00 129 T 8.94 5.23 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 1.42 0.00 0.00 130 F 9.58 5.63 0.00 2.99 3.24 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 0.00 131 T 9.28 5.68 4.45 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 1.40 0.00 0.00 132 K 8.96 4.06 0.00 1.68 1.73 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.87 0.99 7.81 133 V 7.35 4.45 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 0.78 0.00 0.00 0.96 0.00 0.00 134 K 8.13 3.78 0.00 1.48 1.44 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.21 7.81 135 P 0.00 4.42 0.00 2.18 2.06 0.00 3.71 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 1.98 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.