NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.5909 8.1300 115.1751 56.6641 39.8517 176.9254 13 V 3.4192 8.0394 122.4527 66.7217 31.1590 175.3922 14 A 4.0076 8.7248 119.8854 55.2878 18.8824 178.5018 15 E 4.1013 8.2240 116.5918 59.5637 29.5752 179.4874 16 L 4.0215 8.3980 119.3841 57.7863 41.5995 178.8648 17 N 4.3544 8.5891 117.3504 56.7582 38.5687 175.7852 18 N 4.7329 7.7492 115.1363 54.0704 38.8741 175.3367 19 L 4.6215 8.1651 120.7851 54.0769 42.2211 175.9693 20 L 4.2001 7.3411 119.9882 56.7885 41.6917 177.9875 21 G 3.9664 9.2438 112.7269 45.2026 0.0000 173.2821 22 R 4.5945 7.9965 119.1651 54.6026 32.7760 175.0391 23 E 4.7682 8.5868 122.1341 56.1384 30.5709 175.8702 24 V 4.7552 9.3015 119.1877 59.6538 36.8310 173.8472 25 Q 5.0559 9.1065 122.8327 54.3727 32.0480 174.2745 26 V 4.7396 9.0875 125.9801 61.2044 34.3463 174.1168 27 V 4.4604 8.6407 129.1687 61.7645 33.0173 174.7636 28 L 5.4314 8.6189 127.8338 52.9870 44.1028 177.7425 29 S 4.3973 9.3060 116.3714 59.9800 63.1534 174.4789 30 N 4.6940 8.2185 118.1172 52.8142 37.3258 175.7036 31 G 4.0166 8.2272 108.9172 45.5380 0.0000 174.2454 32 E 4.2933 8.1405 118.9163 56.2909 31.3545 176.2606 33 V 4.8442 7.8884 120.3152 61.7028 35.1587 173.2300 34 Y 4.8790 8.8737 125.7271 55.9923 40.5822 174.5252 35 K 4.9581 8.6555 125.6246 54.6103 35.2740 175.4022 36 G 4.4390 8.3767 112.5157 46.3366 0.0000 171.8315 37 V 4.6136 7.6762 113.0664 60.0339 33.2761 175.9917 38 L 4.2153 8.9630 128.1866 56.1484 42.2449 176.4835 39 H 4.5999 9.1454 127.1071 57.9887 31.0960 175.0043 40 A 4.7293 7.5648 117.0800 50.8498 22.5138 175.4231 41 V 4.9673 8.3322 119.6271 61.2652 34.9553 174.1188 42 D 5.0788 8.3516 124.9969 50.9322 42.1857 176.4865 43 N 4.1964 8.7092 115.8382 56.4579 38.3835 176.3099 44 Q 3.9006 7.9733 113.8926 55.5229 29.0838 175.6434 45 L 3.7783 8.0264 117.2935 55.7199 39.0647 174.4602 46 N 4.9196 8.7029 115.8769 53.5136 40.0726 174.4384 47 I 4.9288 8.6777 121.3021 59.6304 41.8615 174.3784 48 V 4.6811 8.8641 125.8244 61.1272 33.8591 174.3456 49 L 5.2032 8.6513 127.3068 52.9603 45.0033 175.1408 50 A 4.8579 8.5674 123.0375 50.6363 21.8598 176.0777 51 N 4.2905 8.3755 117.3789 54.2592 36.7948 173.7433 52 A 5.2143 8.1525 120.5451 50.6943 22.4621 177.6424 53 S 5.3295 9.1420 113.5461 57.0216 67.4860 172.9493 54 N 5.5877 8.2662 118.3301 50.2083 39.7457 175.5787 55 K 3.9015 8.4386 116.8905 59.5594 32.1436 178.4250 56 A 4.0226 7.8692 119.5836 53.3023 18.3418 178.0805 57 G 3.9661 8.0392 104.5479 44.6057 0.0000 173.9749 58 E 4.0759 8.0922 119.7844 56.1760 30.5683 175.8859 59 K 5.0812 8.1298 123.6736 54.7082 35.4669 175.0942 60 F 4.7869 9.2957 123.8798 55.6255 42.9042 175.2726 61 N 4.5993 9.1708 121.7214 56.5479 39.9553 174.7580 62 R 4.9625 7.8353 115.1606 54.3355 34.5187 175.0177 63 V 4.0267 8.3274 122.5151 61.0800 34.4773 174.1195 64 F 4.6890 8.8364 127.2606 56.5132 39.9220 175.2163 65 I 4.4557 8.5962 129.9750 60.4681 39.8371 176.2515 *67 Y 4.7687 8.4904 119.1922 58.0819 39.7836 177.5617 68 R 3.7082 7.0725 118.0526 58.4886 30.2994 176.6604 69 Y 4.3365 7.7370 113.4307 57.6389 38.5483 174.5010 70 I 4.4228 7.4738 122.0530 60.9586 37.3703 176.0073 71 V 4.0661 9.0028 128.8527 65.5309 31.9132 175.4672 72 H 4.9833 7.7496 113.3877 54.7123 31.9196 171.8486 73 I 4.9638 8.2139 119.2030 59.6609 40.0324 174.7032 74 D 5.1456 9.2726 127.0359 51.9910 43.8728 176.2448 75 S 4.4988 8.7319 117.2253 58.9030 63.6438 174.1507 76 T 4.4663 8.3634 117.8046 63.3699 70.1101 174.4195 77 E 4.4137 7.9434 119.3291 55.2748 30.9803 176.2134 78 R 4.4159 8.1640 119.9208 55.1106 31.5722 176.7229 79 R 4.2181 8.1404 118.9868 55.7364 30.8697 176.8777 80 I 3.6665 7.8067 120.8096 61.2399 37.6697 176.0487 81 D 4.3992 8.0774 123.5937 53.7019 42.6565 176.5376 *83 R 3.4124 8.4023 118.9026 56.0048 31.7438 176.9504 84 E 3.9148 9.0052 118.3855 58.9837 29.4531 178.2739 85 F 3.6750 8.1966 120.8979 61.1562 39.4750 176.7431 86 A 4.1118 8.1422 119.6316 55.3353 17.9576 179.2328 87 K 3.8137 7.7785 115.2779 60.1719 32.2054 179.2572 88 Q 4.0914 8.2419 117.5934 58.6828 28.5622 178.4800 89 A 3.9526 8.2031 122.2361 54.8534 18.3671 179.3164 90 E 4.0232 8.1714 118.1622 58.7261 29.5055 177.5929 91 K 4.3988 7.5021 116.5774 56.7870 33.1001 177.3474 92 I 4.3867 7.4738 118.8566 62.8275 43.6080 175.4875 93 F 5.1152 8.0091 118.1383 54.9322 39.5238 173.1378 94 P 4.4214 0.0000 0.0000 64.3577 32.4311 177.0624 95 G 3.8012 8.9853 109.5621 46.6239 0.0000 173.9537 *97 V 4.1668 7.4632 115.9869 62.6016 33.2375 175.3634 98 K 4.6013 8.8440 126.0379 55.1723 36.2603 174.4410 99 Y 4.8136 8.8127 127.0466 56.5480 40.6449 174.0574 100 I 4.1054 8.1635 129.0460 59.6101 38.0817 176.4874 101 E 3.5683 8.4605 129.4071 58.7908 29.8907 178.1766 102 E 3.9121 8.1298 118.7062 59.0646 29.4663 177.2528 103 T 4.4875 7.1259 103.6332 59.9993 70.0875 172.6671 104 N 4.2001 7.5998 117.9106 54.2555 38.0481 173.5796 105 V 4.6099 7.2318 114.5297 60.7597 34.9267 174.1465 106 V 4.9180 8.9918 126.0262 61.2181 34.1115 174.2495 107 L 4.9938 9.0776 128.0559 53.3734 43.2147 175.9752 108 I 4.3550 8.5474 122.7394 60.5846 40.0776 175.2738 109 G 3.9516 8.8913 118.3699 46.0533 0.0000 172.6178 110 D 4.9104 8.6307 122.4702 54.2142 41.9481 176.4888 111 K 4.5975 7.8556 115.7267 55.7237 34.4541 175.6413 112 V 4.5983 7.5937 119.8993 61.1728 34.5473 174.1202 113 R 4.9092 8.7540 128.0109 54.4381 33.2941 174.3361 114 V 4.9999 9.0133 125.7418 61.2158 34.7704 174.5802 115 S 5.1566 8.9704 122.5817 55.9828 66.2124 174.5744 116 E 4.1695 8.9741 116.7736 57.9412 29.3029 177.2531 117 I 4.4830 8.2358 110.6154 59.4064 38.2975 175.1613 118 G 3.6401 6.6486 110.9815 45.8313 0.0000 171.4762 119 V 4.7515 7.6565 118.4387 60.8284 34.0073 174.3286 120 E 4.5824 9.5999 127.1063 55.2628 31.6027 174.7509 121 G 4.3543 8.0814 107.2247 43.8637 0.0000 172.9052 122 V 4.3452 8.0328 118.5092 61.1742 35.0027 175.2523 123 G 4.0329 8.7479 108.0847 44.3283 0.0000 172.5628 124 P 4.2511 0.0000 0.0000 65.9062 31.1919 179.2220 125 V 3.6759 7.7966 116.1043 65.6818 31.5293 177.8569 126 A 3.9986 7.8970 120.1249 55.1930 18.3295 179.2057 127 E 3.9676 8.3765 117.2118 59.7481 29.5514 179.7050 128 R 4.0423 8.4234 118.4382 59.2343 30.0307 178.4875 129 A 4.3442 8.2691 120.6336 55.2582 18.4240 179.6224 130 K 4.0204 8.3378 117.0449 59.9204 32.1139 179.7774 131 R 4.0901 8.0127 117.9392 59.0275 29.9437 178.9000 132 L 4.0633 8.0293 120.0169 57.9334 42.1375 178.5454 133 F 4.3702 9.0793 121.0715 61.8164 39.3963 176.9456 134 E 4.2464 9.0283 118.4370 59.6653 29.0066 179.3221 135 E 4.0250 8.2427 117.8581 59.4052 29.8196 179.0916 136 F 4.1852 8.4388 117.9833 60.4247 38.7338 177.7416 137 L 4.1679 8.0176 117.9905 57.7426 41.5258 179.4499 138 K 4.1542 8.2346 117.3349 58.3430 31.9762 177.2566 139 R 4.2386 7.6926 122.1070 56.1644 30.3769 175.5780 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 12 F 8.13 5.59 0.00 3.17 3.52 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 13 V 8.04 3.42 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 1.10 0.00 0.00 0.90 0.00 0.00 14 A 8.72 4.01 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 15 E 8.22 4.10 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 16 L 8.40 4.02 0.00 2.00 1.78 0.89 0.97 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 17 N 8.59 4.35 0.00 2.97 2.92 0.00 0.00 7.25 6.64 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 18 N 7.75 4.73 0.00 2.91 2.85 0.00 0.00 6.89 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 4.62 0.00 1.73 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.34 4.20 0.00 1.66 1.64 0.98 0.96 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 21 G 9.24 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 22 R 8.00 4.59 0.00 1.78 1.87 0.00 3.31 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 23 E 8.59 4.77 0.00 2.00 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 2.29 2.51 0.00 24 V 9.30 4.76 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 0.66 0.00 0.00 0.95 0.00 0.00 25 Q 9.11 5.06 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.09 4.74 2.17 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 0.94 0.00 0.00 0.98 0.00 0.00 27 V 8.64 4.46 1.66 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 0.97 0.00 0.00 0.84 0.00 0.00 28 L 8.62 5.43 0.00 1.86 1.64 1.03 0.62 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 29 S 9.31 4.40 0.00 4.03 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 30 N 8.22 4.69 0.00 2.84 2.92 0.00 0.00 6.35 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 31 G 8.23 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 32 E 8.14 4.29 0.00 2.13 1.86 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 2.34 2.43 0.00 33 V 7.89 4.84 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 1.00 0.00 0.00 0.91 0.00 0.00 34 Y 8.87 4.88 0.00 3.00 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 35 K 8.66 4.96 0.00 1.80 1.64 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 36 G 8.38 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 0.00 0.00 0.00 0.00 37 V 7.68 4.61 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 0.80 0.00 0.00 0.96 0.00 0.00 38 L 8.96 4.22 0.00 1.77 1.74 1.01 0.85 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 39 H 9.15 4.60 0.00 3.12 3.36 0.00 6.03 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 40 A 7.56 4.73 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 41 V 8.33 4.97 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 0.94 0.00 0.00 0.97 0.00 0.00 42 D 8.35 5.08 0.00 2.90 2.78 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 43 N 8.71 4.20 0.00 2.68 2.87 0.00 0.00 6.87 7.69 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 44 Q 7.97 3.90 0.00 1.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 45 L 8.03 3.78 0.00 1.77 1.91 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.70 4.92 0.00 3.01 2.85 0.00 0.00 6.80 7.62 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 47 I 8.68 4.93 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.98 0.00 0.00 48 V 8.86 4.68 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 0.60 0.00 0.00 1.05 0.00 0.00 49 L 8.65 5.20 0.00 1.54 1.52 0.99 0.80 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 50 A 8.57 4.86 1.15 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 0.00 0.00 51 N 8.38 4.29 0.00 2.78 2.83 0.00 0.00 6.84 7.11 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 52 A 8.15 5.21 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 53 S 9.14 5.33 0.00 3.99 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 54 N 8.27 5.59 0.00 2.42 1.77 0.00 0.00 6.91 6.86 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 55 K 8.44 3.90 0.00 1.69 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.36 7.81 56 A 7.87 4.02 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 57 G 8.04 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 58 E 8.09 4.08 0.00 2.10 1.64 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 2.31 2.28 0.00 59 K 8.13 5.08 0.00 1.66 1.52 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.64 7.81 60 F 9.30 4.79 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 61 N 9.17 4.60 0.00 2.79 2.85 0.00 0.00 6.95 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 62 R 7.84 4.96 0.00 1.59 1.10 0.00 3.09 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.47 0.00 63 V 8.33 4.03 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 0.40 0.00 0.00 0.68 0.00 0.00 64 F 8.84 4.69 0.00 2.89 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 65 I 8.60 4.46 1.89 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 1.08 0.75 0.93 0.00 0.00 *67 Y 8.49 4.77 0.00 3.33 3.54 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 68 R 7.07 3.71 0.00 1.28 1.41 0.00 2.92 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.00 69 Y 7.74 4.34 0.00 3.11 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 70 I 7.47 4.42 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 1.00 0.00 0.00 71 V 9.00 4.07 2.21 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 0.86 0.00 0.00 0.97 0.00 0.00 72 H 7.75 4.98 0.00 3.18 3.36 0.00 5.45 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 73 I 8.21 4.96 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.94 0.00 0.00 74 D 9.27 5.15 0.00 2.52 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 75 S 8.73 4.50 0.00 4.35 3.85 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 76 T 8.36 4.47 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 1.25 0.00 0.00 77 E 7.94 4.41 0.00 2.10 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 0.00 2.27 2.30 0.00 78 R 8.16 4.42 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 79 R 8.14 4.22 0.00 1.78 1.87 0.00 3.57 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 80 I 7.81 3.67 1.36 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.29 0.21 0.00 0.00 81 D 8.08 4.40 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.41 0.00 1.53 1.78 0.00 3.09 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.00 84 E 9.01 3.91 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 2.46 2.66 0.00 85 F 8.20 3.68 0.00 2.54 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 86 A 8.14 4.11 1.40 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 0.00 0.00 0.00 87 K 7.78 3.81 0.00 1.94 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 88 Q 8.24 4.09 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 89 A 8.20 3.95 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 90 E 8.17 4.02 0.00 2.18 2.21 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 2.33 2.38 0.00 91 K 7.50 4.40 0.00 1.86 1.85 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.33 7.81 92 I 7.47 4.39 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 -0.07 0.00 0.00 93 F 8.01 5.12 0.00 3.12 2.84 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 94 P 0.00 4.42 0.00 2.06 2.04 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 95 G 8.99 3.80 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 0.00 0.00 0.00 *97 V 7.46 4.17 2.37 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 0.99 0.00 0.00 1.14 0.00 0.00 98 K 8.84 4.60 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 99 Y 8.81 4.81 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.16 4.11 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.79 0.00 0.00 101 E 8.46 3.57 0.00 1.96 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 2.38 2.33 0.00 102 E 8.13 3.91 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 103 T 7.13 4.49 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 1.17 0.00 0.00 104 N 7.60 4.20 0.00 2.88 2.92 0.00 0.00 6.92 8.74 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 0.00 105 V 7.23 4.61 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 0.92 0.00 0.00 0.90 0.00 0.00 106 V 8.99 4.92 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 1.29 0.00 0.00 1.28 0.00 0.00 107 L 9.08 4.99 0.00 1.60 1.54 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.55 4.35 1.75 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 0.48 0.00 0.00 109 G 8.89 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 0.00 0.00 0.00 110 D 8.63 4.91 0.00 2.62 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 0.00 111 K 7.86 4.60 0.00 1.65 1.71 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 112 V 7.59 4.60 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 1.06 0.00 0.00 0.89 0.00 0.00 113 R 8.75 4.91 0.00 1.92 1.70 0.00 3.07 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 114 V 9.01 5.00 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 0.62 0.00 0.00 1.08 0.00 0.00 115 S 8.97 5.16 0.00 3.87 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 0.00 116 E 8.97 4.17 0.00 2.08 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 0.00 2.29 2.32 0.00 117 I 8.24 4.48 1.87 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 1.23 0.71 0.94 0.00 0.00 118 G 6.65 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 0.00 0.00 0.00 119 V 7.66 4.75 2.05 0.00 0.00 0.00 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 1.02 0.00 0.00 120 E 9.60 4.58 0.00 1.97 1.79 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 2.20 2.20 0.00 121 G 8.08 4.35 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 0.00 122 V 8.03 4.35 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 0.86 0.00 0.00 0.93 0.00 0.00 123 G 8.75 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 0.00 0.00 0.00 124 P 0.00 4.25 0.00 2.22 2.19 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 125 V 7.80 3.68 1.96 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 0.37 0.00 0.00 0.89 0.00 0.00 126 A 7.90 4.00 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 0.00 127 E 8.38 3.97 0.00 2.19 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 0.00 2.51 2.50 0.00 128 R 8.42 4.04 0.00 2.34 2.43 0.00 3.32 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 129 A 8.27 4.34 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.34 4.02 0.00 2.05 1.93 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.78 7.81 131 R 8.01 4.09 0.00 2.17 2.05 0.00 3.24 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 132 L 8.03 4.06 0.00 1.85 1.99 0.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.08 4.37 0.00 3.58 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 0.00 134 E 9.03 4.25 0.00 2.37 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 2.42 2.52 0.00 135 E 8.24 4.03 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 2.70 2.44 0.00 136 F 8.44 4.19 0.00 3.31 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 0.00 137 L 8.02 4.17 0.00 1.99 1.86 1.14 1.09 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 0.00 138 K 8.23 4.15 0.00 1.91 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.65 7.81 139 R 7.69 4.24 0.00 1.75 1.79 0.00 3.32 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.