NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9784 8.3549 109.7305 45.5506 0.0000 174.2373 17 I 3.7829 7.1645 119.9443 63.2966 38.0640 176.4555 18 T 3.9322 7.9341 116.7607 63.4285 69.9321 173.8917 19 G 3.5433 7.7018 113.2932 44.8822 0.0000 171.0426 20 T 4.6532 7.6876 117.6192 61.7086 70.0975 174.5235 21 W 4.7583 8.4641 125.5801 54.8316 33.3864 173.9925 22 Y 5.3528 9.0393 119.5000 56.4608 41.3872 174.9134 23 N 5.4803 8.7208 119.4967 50.3626 40.0926 174.5294 24 Q 4.1551 8.6488 115.3589 59.0227 29.0638 177.1815 25 L 4.3712 8.0797 116.4796 54.6860 41.5077 177.4886 26 G 3.9990 7.9716 106.3969 45.1445 0.0000 174.2251 27 S 4.7662 8.6121 116.6262 58.7015 64.8653 173.1479 28 T 4.9305 8.6350 116.8014 62.4543 73.2411 173.2732 29 F 5.2836 8.4792 119.2251 55.2386 42.0872 173.2656 30 I 4.9051 8.4085 121.0349 59.7689 39.7043 175.1266 31 V 4.9637 8.9015 119.7740 59.7559 36.1046 174.6519 32 T 4.7836 8.6444 118.1985 61.7494 71.9006 172.8891 33 A 4.8501 8.4804 128.6515 50.1536 20.1037 177.3362 34 G 3.8308 9.2338 112.3757 45.1243 0.0000 174.3658 35 A 4.0800 8.4260 122.6696 54.6785 18.5938 178.6479 36 D 4.3306 7.9731 113.8609 55.2434 41.8319 176.7093 37 G 3.5329 7.9511 107.2141 45.1067 0.0000 173.2605 38 A 4.7391 7.9377 121.3765 51.3766 20.7470 177.0360 39 L 5.2488 8.3059 118.4549 53.4308 45.9857 175.7198 40 T 4.8952 8.4270 113.5579 60.1756 72.5284 174.2061 41 G 4.7760 8.0106 109.4816 46.2715 0.0000 171.6902 42 T 5.1444 7.6986 108.4163 60.1655 72.7646 172.1590 43 Y 5.1366 9.1769 125.2037 56.4182 41.4807 174.5258 44 E 5.7890 9.0763 123.3479 55.2858 33.2961 173.4189 *49 N 4.6093 8.7608 114.6365 52.7830 38.8634 174.7481 50 A 3.9923 8.5935 123.4206 55.7098 18.4039 179.5538 51 E 3.8803 7.8972 112.9240 58.4523 29.9546 177.7287 52 S 4.8518 8.5163 114.9779 58.0971 63.4318 173.0059 53 R 5.2025 7.5206 119.3841 54.9284 31.7766 175.4901 54 Y 4.8960 8.7491 119.4049 56.0688 42.5828 174.9287 55 V 4.3643 8.5966 122.8694 62.8014 32.7644 175.0358 56 L 5.1332 8.9223 127.0581 54.4871 43.9432 175.1219 57 T 4.9749 8.3251 113.4153 61.5546 71.2885 173.2162 58 G 4.5049 8.5243 112.7298 46.4414 0.0000 172.2817 59 R 5.3841 8.6303 117.3565 55.1611 34.9979 173.9887 60 Y 5.2498 8.3590 118.4386 55.4484 41.9170 174.5490 61 D 4.4368 9.1016 120.7079 53.2780 41.5659 176.0236 62 S 4.5310 8.0886 119.8912 58.2014 63.5165 175.6442 63 A 4.6761 7.8138 121.9020 51.3612 19.8845 174.2496 64 P 4.8277 0.0000 0.0000 60.6848 32.9161 176.8404 65 A 4.2686 8.3062 121.7687 52.5754 18.7702 177.4339 66 T 4.4979 8.2894 108.0210 61.6389 69.2188 174.6058 67 D 4.5881 8.0751 120.5652 53.6722 39.5577 176.9453 68 G 3.8834 8.2628 106.6123 46.2080 0.0000 174.1225 69 S 4.4043 8.1398 115.4259 57.6420 63.5588 174.0301 70 G 4.0330 8.2850 109.7961 46.1461 0.0000 172.8044 71 T 4.8139 8.6091 116.3242 61.7682 70.1452 174.9356 72 A 4.8193 8.7372 129.0368 52.1535 19.9315 175.8938 73 L 4.9966 8.1713 119.1431 55.7337 44.7345 173.4325 74 G 4.1726 8.9965 104.9113 46.0651 0.0000 172.2270 75 W 5.6150 8.0571 116.3671 55.9388 31.6638 173.3807 76 T 5.2377 9.0067 116.3350 61.8606 72.2091 173.5434 77 V 4.4682 8.7264 123.8983 61.0915 34.6920 174.0496 78 A 4.5351 8.3530 129.2397 49.8412 20.5237 177.6813 79 W 4.4447 8.3571 122.9419 55.1379 27.9943 176.2782 80 K 5.2548 7.7529 118.2987 54.7430 35.1283 174.6496 81 N 5.0314 9.0939 122.7902 51.8124 39.9159 174.2493 82 N 4.2357 8.8013 114.0306 55.6847 38.6383 175.1567 83 Y 4.6055 8.6714 114.9481 58.0543 40.3235 175.3675 84 R 4.6758 7.8491 115.0867 55.1590 32.7248 173.7952 85 N 5.0382 8.4355 116.4283 53.0491 40.2949 173.4955 86 A 4.3533 9.1021 129.0355 51.7949 19.7246 176.0851 87 H 4.1696 9.1110 113.4027 56.0857 26.5214 173.4660 88 S 5.1334 7.6027 111.8250 58.0761 67.0115 173.6421 89 A 4.9849 8.5344 120.1951 51.1320 22.7977 175.4968 90 T 5.0356 8.8872 117.4006 61.7049 72.6430 173.1146 91 T 4.8647 8.1574 114.9489 59.6187 71.7959 172.7420 92 W 4.9778 8.5380 124.9350 54.8283 31.8676 174.9267 93 S 4.6566 8.6897 118.5367 56.7912 64.6026 172.3096 94 G 4.5404 8.3022 114.3300 46.7618 0.0000 171.7652 95 Q 4.9901 8.6914 119.6633 55.1192 32.9235 173.4256 96 Y 5.1247 9.0344 122.4525 56.4403 40.8967 174.2779 97 V 4.2745 8.1306 126.3961 60.6281 34.3372 175.2570 98 G 3.9012 8.1783 122.1787 47.6631 0.0000 172.3301 99 G 4.1248 8.7300 111.3501 44.5191 0.0000 172.2725 100 A 4.0973 8.4334 120.2532 54.8189 18.8369 178.4479 101 E 4.2523 7.8323 117.3913 54.9459 28.1093 173.9219 102 A 5.1762 7.6392 122.0014 50.5718 20.1120 177.4044 103 R 5.3260 8.9672 120.4548 54.8295 35.8253 174.2313 104 I 4.9865 8.6673 120.8323 59.9048 39.8842 174.5546 105 N 5.3263 9.1124 125.8639 52.4166 40.4131 174.7279 106 T 5.4649 9.1134 112.7808 60.3166 73.4835 172.4152 107 Q 5.1345 9.1865 119.4743 54.1026 32.9961 174.7023 108 F 5.1797 8.5834 116.9847 54.8910 42.1599 173.6978 109 L 4.9122 8.4811 118.1370 52.8510 45.2179 175.4625 110 L 5.0525 8.6783 126.0375 53.5667 44.4559 174.9928 111 T 5.0693 8.6722 122.9664 61.9076 71.5639 173.3142 112 S 4.9666 8.5056 122.1113 56.4375 65.1429 174.5136 113 G 3.9077 8.2944 111.4467 46.7408 0.0000 172.9866 114 T 4.7778 8.1129 112.5813 59.7809 72.0788 173.5662 115 T 4.1613 8.1415 111.9778 61.1740 69.3118 175.3656 116 E 3.8848 8.8693 122.1161 59.5589 29.6596 179.4824 117 A 4.1770 8.0515 120.2197 54.2689 18.8845 177.5965 118 N 4.7776 8.2450 111.9618 52.8841 39.4315 176.4495 119 A 3.9779 7.7900 124.1773 54.7358 18.5652 180.5956 120 W 4.3988 8.2430 112.1800 58.4431 28.3729 176.3013 121 K 4.3199 6.5939 118.7267 56.1411 32.1032 176.7664 122 S 4.4274 7.7781 113.6663 59.7758 64.2547 173.4421 123 T 5.1217 7.5721 117.4061 61.8299 71.3792 173.3782 124 L 4.8041 8.8098 126.4717 53.2725 44.3161 175.9298 125 V 4.3875 7.8097 119.7808 60.4836 34.6892 175.2376 126 G 3.7175 6.5940 107.5194 46.2291 0.0000 171.3422 127 H 5.6201 8.3636 114.1170 54.7137 32.0686 171.9615 128 D 4.8081 8.9306 116.8586 53.7244 45.0783 173.9412 129 T 5.1926 8.0454 119.4506 61.8484 72.6062 172.9221 130 F 5.5963 9.0595 124.3400 56.0663 42.2219 174.7379 131 T 5.4186 9.5276 112.0141 59.9270 72.0672 175.0467 132 K 3.6794 8.7139 120.7058 58.0346 32.5599 177.8922 133 V 3.8711 7.2117 116.4975 61.3448 32.2402 175.2088 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 8.35 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 0.00 0.00 0.00 17 I 7.16 3.78 1.41 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 0.79 -0.36 0.59 0.00 0.00 18 T 7.93 3.93 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 1.19 0.00 0.00 19 G 7.70 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 0.00 0.00 0.00 20 T 7.69 4.65 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 0.62 0.00 0.00 21 W 8.46 4.76 0.00 1.78 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 22 Y 9.04 5.35 0.00 2.98 2.85 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 23 N 8.72 5.48 0.00 2.73 2.76 0.00 0.00 6.97 7.27 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 24 Q 8.65 4.16 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 25 L 8.08 4.37 0.00 1.73 1.78 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.97 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 8.61 4.77 0.00 4.00 3.76 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 28 T 8.64 4.93 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 0.94 0.00 0.00 29 F 8.48 5.28 0.00 2.96 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 8.41 4.91 1.82 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 1.14 0.50 0.89 0.00 0.00 31 V 8.90 4.96 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 0.55 0.00 0.00 1.00 0.00 0.00 32 T 8.64 4.78 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 1.18 0.00 0.00 33 A 8.48 4.85 0.78 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 34 G 9.23 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 35 A 8.43 4.08 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 36 D 7.97 4.33 0.00 2.63 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 37 G 7.95 3.53 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 0.00 0.00 0.00 38 A 7.94 4.74 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 39 L 8.31 5.25 0.00 1.73 1.56 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.43 4.90 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 1.20 0.00 0.00 41 G 8.01 4.78 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 7.70 5.14 4.39 0.00 0.00 0.00 0.00 0.00 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 9.18 5.14 0.00 2.93 2.93 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 44 E 9.08 5.79 0.00 2.21 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 2.18 2.13 0.00 *49 N 8.76 4.61 0.00 3.00 3.00 0.00 0.00 5.84 7.28 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 50 A 8.59 3.99 1.20 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 0.00 0.00 51 E 7.90 3.88 0.00 1.82 1.93 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 2.07 1.69 0.00 52 S 8.52 4.85 0.00 4.21 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 53 R 7.52 5.20 0.00 1.66 1.83 0.00 3.10 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 54 Y 8.75 4.90 0.00 2.96 2.68 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 55 V 8.60 4.36 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.92 5.13 0.00 1.84 1.63 0.50 -0.32 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 57 T 8.33 4.97 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 58 G 8.52 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 5.38 0.00 1.77 1.78 0.00 3.28 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.36 5.25 0.00 3.10 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 61 D 9.10 4.44 0.00 2.85 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 8.09 4.53 0.00 3.92 3.30 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 63 A 7.81 4.68 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 64 P 0.00 4.83 0.00 2.27 2.19 0.00 3.45 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.31 4.27 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 66 T 8.29 4.50 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 8.08 4.59 0.00 2.80 2.81 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 68 G 8.26 3.88 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 0.00 0.00 0.00 69 S 8.14 4.40 0.00 3.92 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 8.29 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 71 T 8.61 4.81 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 1.46 0.00 0.00 72 A 8.74 4.82 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 73 L 8.17 5.00 0.00 2.08 1.98 1.25 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.00 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 0.00 0.00 0.00 0.00 75 W 8.06 5.61 0.00 3.48 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 76 T 9.01 5.24 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 1.15 0.00 0.00 77 V 8.73 4.47 1.69 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 -0.57 0.00 0.00 0.78 0.00 0.00 78 A 8.35 4.54 1.14 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 0.00 0.00 79 W 8.36 4.44 0.00 3.33 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 80 K 7.75 5.25 0.00 1.92 1.70 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 81 N 9.09 5.03 0.00 2.86 2.79 0.00 0.00 6.64 7.82 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 82 N 8.80 4.24 0.00 2.13 2.29 0.00 0.00 6.60 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 8.67 4.61 0.00 3.01 2.99 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 0.00 0.00 0.00 0.00 84 R 7.85 4.68 0.00 2.20 2.09 0.00 3.14 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 85 N 8.44 5.04 0.00 2.67 2.65 0.00 0.00 6.88 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 9.10 4.35 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 87 H 9.11 4.17 0.00 3.36 3.37 0.00 5.65 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 7.60 5.13 0.00 4.09 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 89 A 8.53 4.98 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.89 5.04 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 -0.23 0.00 0.00 91 T 8.16 4.86 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 1.12 0.00 0.00 92 W 8.54 4.98 0.00 1.78 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 0.00 0.00 0.00 93 S 8.69 4.66 0.00 3.81 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 94 G 8.30 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 95 Q 8.69 4.99 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 96 Y 9.03 5.12 0.00 3.07 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 97 V 8.13 4.27 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 0.83 0.00 0.00 0.90 0.00 0.00 98 G 8.18 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 99 G 8.73 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 0.00 100 A 8.43 4.10 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 0.00 101 E 7.83 4.25 0.00 1.94 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 2.28 2.40 0.00 102 A 7.64 5.18 1.46 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 0.00 0.00 103 R 8.97 5.33 0.00 1.94 2.10 0.00 3.17 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 1.79 1.85 0.00 104 I 8.67 4.99 2.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.26 1.17 0.00 0.00 105 N 9.11 5.33 0.00 2.74 2.81 0.00 0.00 6.07 6.43 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 0.00 106 T 9.11 5.46 4.53 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 1.51 0.00 0.00 107 Q 9.19 5.13 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 108 F 8.58 5.18 0.00 2.46 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 0.00 109 L 8.48 4.91 0.00 1.47 1.47 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.68 5.05 0.00 1.79 1.59 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.67 5.07 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 1.18 0.00 0.00 112 S 8.51 4.97 0.00 3.71 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 8.29 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 0.00 0.00 0.00 114 T 8.11 4.78 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 1.18 0.00 0.00 115 T 8.14 4.16 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 1.20 0.00 0.00 116 E 8.87 3.88 0.00 2.11 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 0.00 2.41 2.39 0.00 117 A 8.05 4.18 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 0.00 118 N 8.24 4.78 0.00 2.64 2.58 0.00 0.00 6.71 8.24 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 0.00 119 A 7.79 3.98 1.37 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 0.00 0.00 0.00 120 W 8.24 4.40 0.00 3.56 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 6.59 4.32 0.00 1.21 0.74 0.00 1.20 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.62 7.81 122 S 7.78 4.43 0.00 4.08 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 0.00 123 T 7.57 5.12 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 1.20 0.00 0.00 124 L 8.81 4.80 0.00 1.62 1.56 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.81 4.39 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 0.60 0.00 0.00 0.72 0.00 0.00 126 G 6.59 3.72 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 0.00 0.00 0.00 127 H 8.36 5.62 0.00 3.24 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.93 4.81 0.00 3.01 2.56 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 0.00 129 T 8.05 5.19 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 1.36 0.00 0.00 130 F 9.06 5.60 0.00 3.13 3.18 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 0.00 0.00 0.00 131 T 9.53 5.42 4.36 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 1.36 0.00 0.00 132 K 8.71 3.68 0.00 1.53 1.65 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.41 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.58 0.21 7.81 133 V 7.21 3.87 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 0.58 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.