NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2278 8.3344 116.7858 57.7535 64.1756 173.8788 -7 D 5.1397 9.0060 133.1796 52.9688 41.7218 173.6727 -6 P 4.0734 0.0000 0.0000 65.8677 32.2598 177.9657 -5 S 4.9556 8.0890 110.2206 58.8539 62.7692 174.4910 -4 S 4.7437 8.2772 115.8660 58.4273 64.6657 176.0935 -3 I 4.1524 7.8600 122.5288 63.1644 37.6897 177.7712 -2 N 5.0756 7.5657 116.0355 52.4194 39.4744 176.4522 -1 G 3.9460 7.8844 106.1458 44.7234 0.0000 172.2445 -7 G 4.4597 8.9960 121.5796 43.8688 0.0000 172.2727 -6 I 3.8234 9.3810 128.5965 63.6677 38.9598 177.0657 -5 V 4.6056 7.8090 113.7206 62.7539 31.8692 176.1910 -4 V 4.3937 7.9972 119.3660 62.3273 33.7657 177.7935 -3 A 4.3024 8.1000 126.4288 54.5644 17.9897 179.1712 -2 M 4.8156 7.4457 116.9355 54.7194 33.4744 177.5522 -1 T 4.3360 7.7044 110.9458 61.4234 68.0075 172.0445 8 G 4.0280 8.7424 112.2945 43.9616 0.0000 171.7365 9 K 4.0219 8.6250 121.8381 56.6835 31.3613 176.7934 10 D 4.4563 8.6623 128.0681 54.7131 38.5183 173.3609 11 C 4.7101 7.4562 110.1650 57.7421 32.0948 172.4933 12 V 4.9614 8.0013 112.1612 59.8132 35.1410 174.5074 13 A 4.7797 8.4684 124.5280 50.3564 22.2533 175.5888 14 I 5.3062 7.9399 118.9636 60.0543 40.7596 173.7610 15 A 5.0167 8.5865 130.3416 50.4970 22.3192 174.2912 16 C 5.3608 8.2357 112.4544 57.0704 32.7713 173.7818 17 D 4.7512 8.5098 120.1732 52.9772 41.2370 175.6524 18 L 5.0531 8.2943 115.3180 53.5401 43.7113 176.7055 19 R 4.5687 8.0727 119.8386 56.3257 31.2581 175.9254 20 L 4.3790 8.8702 127.2588 53.9952 45.0486 174.7577 21 G 4.5902 8.4824 113.0053 44.4584 0.0000 171.5843 22 S 4.5273 8.8376 113.7221 55.6345 63.4947 175.0982 23 Q 3.7530 8.6256 129.3329 56.6943 26.5727 176.6702 24 S 4.1869 8.8159 120.6198 61.6669 63.4174 174.3259 25 L 3.9622 7.7943 124.6475 54.5540 41.9717 175.9150 26 G 4.0510 8.6436 116.0814 45.3011 0.0000 172.7611 27 V 4.1390 8.3734 124.1633 63.7986 33.4167 175.7156 28 S 4.6825 8.3737 113.0434 56.8754 65.3829 173.4020 29 N 4.9715 8.8234 122.5972 52.6869 37.3448 174.5307 30 K 4.5827 8.0723 115.3371 56.7374 34.4340 177.0646 31 F 4.6174 8.4620 125.9281 57.1067 38.4675 174.4346 32 E 4.1538 8.1618 122.8515 55.5308 30.5396 176.3966 33 K 4.2271 8.2959 120.0569 55.8755 34.3739 174.9205 34 I 4.7628 7.1009 121.0289 59.4920 39.3452 174.7670 35 F 5.0276 9.4742 125.3621 55.9814 43.6092 173.3691 36 H 5.0317 7.3829 112.9021 54.5244 31.6575 172.7614 *38 Y 4.6014 7.9617 116.6948 58.7460 38.9373 175.5831 39 G 3.9772 8.1213 117.4352 47.2731 0.0000 172.6881 40 H 4.7122 8.9174 120.1514 54.8117 28.7955 173.9654 41 V 4.2813 7.3424 121.2403 61.6732 33.2199 174.5352 42 F 5.0521 9.4247 127.0076 55.8040 41.7458 174.5858 43 L 5.3478 9.5466 124.3536 53.4643 45.3069 175.1067 44 G 5.0335 9.5505 113.9835 45.4667 0.0000 172.1815 45 I 5.1586 8.5430 124.4099 59.7594 40.3072 174.9612 46 T 4.5487 8.9822 116.3198 60.3736 71.4160 172.9588 47 G 4.0205 8.8130 107.5564 44.2396 0.0000 173.6999 48 L 4.1563 9.1779 126.2200 54.7978 42.7065 177.8466 49 A 4.1414 10.2196 128.7106 55.9613 18.1664 178.8520 50 T 3.8404 8.0641 110.6825 65.8087 67.2818 175.6504 51 D 4.4161 8.1674 120.0942 57.1331 41.1189 178.6324 52 V 3.7073 8.1676 119.1525 66.3543 31.5739 178.3221 53 T 3.8999 8.4618 115.7603 66.8880 68.3060 176.8300 54 T 3.7595 7.9830 117.6284 66.7356 68.4508 176.7064 55 L 3.2860 8.0111 121.1079 57.2758 41.4785 179.1270 56 N 4.2244 7.5682 117.8849 56.2457 38.9044 176.6874 57 E 3.9263 7.9503 119.8605 59.5701 29.3863 179.2781 58 M 3.7569 7.7661 118.1141 58.7159 32.3469 178.4608 59 F 4.3978 7.8898 118.1489 60.0994 38.8251 177.8039 60 R 3.8918 8.0643 120.0769 59.0102 29.9983 177.4765 61 Y 4.0729 7.8614 119.1986 61.0255 38.6745 178.6586 62 K 4.2666 8.6716 119.5615 59.8116 32.2722 179.6299 63 T 3.9286 8.4667 110.3639 64.5640 68.5244 176.4206 64 N 4.4298 8.4695 119.7849 56.4019 38.6974 177.2458 65 L 3.9820 7.7104 119.8490 57.9666 41.6789 178.9917 66 Y 4.0104 8.3020 119.5498 60.6106 38.6289 178.2380 67 K 4.4608 8.1780 121.7825 59.0057 32.1143 178.7749 68 L 3.9475 7.8060 118.3458 57.4703 41.5674 179.2668 69 K 4.1348 7.7941 117.0985 59.1871 32.5381 178.9925 70 E 3.8759 8.1633 117.3914 56.7629 29.4131 176.8711 71 E 3.8968 8.4677 117.3843 56.5197 27.5402 174.1474 72 R 4.5388 7.3704 111.2264 55.0740 31.9296 173.6794 73 A 4.3330 8.4443 122.5222 51.6085 19.2270 177.6914 74 I 3.7987 8.1688 121.5217 61.1145 38.5522 175.7912 75 E 4.5927 8.2529 124.3958 54.1329 32.5823 175.4525 76 P 4.3490 0.0000 0.0000 66.1068 31.5185 178.5557 77 E 3.9680 8.2388 116.4039 59.9559 29.4254 179.5870 78 T 3.8347 7.8598 114.7901 66.6827 68.6361 176.1166 79 F 3.9891 8.4177 122.7960 61.6854 39.3306 177.0652 80 T 3.6481 8.2144 115.5180 66.8946 68.2236 176.5146 81 Q 3.9303 7.7514 119.2782 58.7781 28.6673 178.5790 82 L 3.8647 7.7680 121.5278 57.9641 42.0861 179.2366 83 V 3.2460 7.5513 118.7218 65.5745 31.2609 178.0391 84 S 4.0571 7.9692 113.1519 61.4018 62.2183 176.2903 85 S 4.1397 8.1473 117.0386 61.5828 62.4870 176.4022 86 S 4.1674 8.0256 117.8797 61.2899 62.8650 176.5722 87 L 4.2381 8.0979 121.3907 58.1187 41.5983 178.9492 88 Y 3.9185 8.2745 119.1195 60.0965 38.3834 177.5419 89 E 4.0845 7.9718 118.9692 58.0362 30.1676 176.8918 90 R 4.4476 7.9354 119.1108 55.1026 30.9685 178.1254 91 R 3.2416 7.0246 119.8699 58.9082 29.9729 177.3342 92 F 4.9409 8.0160 114.7687 55.3448 39.9462 176.1123 93 G 5.0470 6.6976 120.3475 45.8348 0.0000 170.8299 94 P 4.1021 0.0000 0.0000 62.1022 32.7647 176.0075 95 Y 4.0857 7.7163 116.6544 57.7904 38.7606 176.6821 96 F 4.7434 8.9807 124.2308 56.4250 37.8814 174.9310 97 V 5.0143 7.9289 114.4429 59.5703 36.4333 175.7688 98 G 4.2162 9.0790 108.6455 43.5115 0.0000 170.0773 99 P 4.9835 0.0000 0.0000 63.2990 32.9331 175.9546 100 V 4.4835 9.0864 122.3150 61.4116 35.0357 173.8351 101 V 5.1314 8.6463 127.1123 61.2050 33.7797 174.4345 102 A 4.7876 9.4031 128.2771 49.7334 22.8189 175.3836 103 G 4.3104 7.7940 107.8925 46.6940 0.0000 171.8079 104 I 4.6356 8.0942 120.1543 58.8758 39.7362 175.6581 105 N 4.9568 8.8506 121.8257 53.4666 38.7192 174.2605 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 -8 S 8.33 4.23 0.00 3.84 3.67 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 -7 D 9.01 5.14 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 1.27 1.51 0.00 3.25 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.70 0.00 -5 S 8.09 4.96 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 -4 S 8.28 4.74 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 I 7.86 4.15 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.16 0.88 0.00 0.00 -2 N 7.57 5.08 0.00 2.92 2.74 0.00 0.00 7.57 7.58 0.00 0.00 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 G 7.88 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 -7 G 9.00 4.46 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 0.00 -6 I 9.38 3.82 1.87 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 1.41 1.01 0.91 0.00 0.00 -5 V 7.81 4.61 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 1.04 0.00 0.00 0.93 0.00 0.00 -4 V 8.00 4.39 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 0.88 0.00 0.00 0.93 0.00 0.00 -3 A 8.10 4.30 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 -2 M 7.45 4.82 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.70 4.34 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 1.21 0.00 0.00 8 G 8.74 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 9 K 8.62 4.02 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.66 4.46 0.00 2.85 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 11 C 7.46 4.71 0.00 3.01 2.95 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 12 V 8.00 4.96 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 0.74 0.00 0.00 0.90 0.00 0.00 13 A 8.47 4.78 1.12 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 14 I 7.94 5.31 1.80 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 1.26 0.86 0.74 0.00 0.00 15 A 8.59 5.02 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 16 C 8.24 5.36 0.00 3.02 2.82 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 0.00 0.00 0.00 17 D 8.51 4.75 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.29 5.05 0.00 1.60 1.74 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.07 4.57 0.00 1.86 2.02 0.00 3.22 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 20 L 8.87 4.38 0.00 1.56 1.39 0.75 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.48 4.59 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 22 S 8.84 4.53 0.00 3.77 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 23 Q 8.63 3.75 0.00 2.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.82 4.19 0.00 3.97 3.99 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 25 L 7.79 3.96 0.00 1.68 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.64 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.37 4.14 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 0.80 0.00 0.00 0.96 0.00 0.00 28 S 8.37 4.68 0.00 3.85 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 29 N 8.82 4.97 0.00 2.86 2.86 0.00 0.00 5.87 7.13 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 30 K 8.07 4.58 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.46 4.62 0.00 3.18 3.12 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 32 E 8.16 4.15 0.00 1.61 1.61 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 2.22 2.25 0.00 33 K 8.30 4.23 0.00 1.60 1.93 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.51 7.81 34 I 7.10 4.76 1.73 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 1.21 0.79 0.98 0.00 0.00 35 F 9.47 5.03 0.00 2.76 2.63 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 36 H 7.38 5.03 0.00 1.93 1.74 0.00 5.85 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 *38 Y 7.96 4.60 0.00 2.69 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 39 G 8.12 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 40 H 8.92 4.71 0.00 3.33 3.39 0.00 5.50 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.34 4.28 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 0.69 0.00 0.00 0.71 0.00 0.00 42 F 9.42 5.05 0.00 3.14 2.95 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 43 L 9.55 5.35 0.00 2.13 1.88 1.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.55 5.03 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 45 I 8.54 5.16 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.08 1.04 0.00 0.00 46 T 8.98 4.55 4.32 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 1.29 0.00 0.00 47 G 8.81 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 48 L 9.18 4.16 0.00 1.88 1.76 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.22 4.14 1.08 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 50 T 8.06 3.84 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 1.29 0.00 0.00 51 D 8.17 4.42 0.00 3.08 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 52 V 8.17 3.71 2.60 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 1.37 0.00 0.00 1.25 0.00 0.00 53 T 8.46 3.90 4.47 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 1.26 0.00 0.00 54 T 7.98 3.76 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 1.06 0.00 0.00 55 L 8.01 3.29 0.00 1.43 1.35 0.78 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.57 4.22 0.00 1.50 2.44 0.00 0.00 6.89 6.93 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 57 E 7.95 3.93 0.00 2.11 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 0.00 2.30 2.45 0.00 58 M 7.77 3.76 0.00 1.51 1.64 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 59 F 7.89 4.40 0.00 2.86 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 60 R 8.06 3.89 0.00 2.17 2.17 0.00 3.21 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.86 4.07 0.00 3.16 2.97 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 62 K 8.67 4.27 0.00 2.00 1.99 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.73 7.81 63 T 8.47 3.93 4.18 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 0.89 0.00 0.00 64 N 8.47 4.43 0.00 2.92 2.86 0.00 0.00 6.88 7.60 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 65 L 7.71 3.98 0.00 1.74 1.74 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.30 4.01 0.00 3.16 3.17 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 67 K 8.18 4.46 0.00 2.17 1.95 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 L 7.81 3.95 0.00 1.84 1.69 0.88 0.73 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 69 K 7.79 4.13 0.00 1.60 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 70 E 8.16 3.88 0.00 1.52 1.70 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 1.54 1.47 0.00 71 E 8.47 3.90 0.00 2.07 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 2.21 2.19 0.00 72 R 7.37 4.54 0.00 1.99 2.00 0.00 3.02 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 73 A 8.44 4.33 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 74 I 8.17 3.80 1.05 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.19 0.64 0.00 0.00 75 E 8.25 4.59 0.00 2.05 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 0.00 2.41 2.38 0.00 76 P 0.00 4.35 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 77 E 8.24 3.97 0.00 2.07 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 0.00 2.42 2.50 0.00 78 T 7.86 3.83 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 1.22 0.00 0.00 79 F 8.42 3.99 0.00 3.02 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 80 T 8.21 3.65 4.41 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 1.15 0.00 0.00 81 Q 7.75 3.93 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 82 L 7.77 3.86 0.00 1.63 1.47 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.55 3.25 1.76 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 0.78 0.00 0.00 -0.69 0.00 0.00 84 S 7.97 4.06 0.00 3.96 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 85 S 8.15 4.14 0.00 4.11 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 86 S 8.03 4.17 0.00 4.26 4.05 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 0.00 0.00 0.00 87 L 8.10 4.24 0.00 1.92 1.77 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.92 0.00 3.15 2.96 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 89 E 7.97 4.08 0.00 1.99 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 0.00 2.28 2.34 0.00 90 R 7.94 4.45 0.00 1.65 1.68 0.00 2.95 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.00 91 R 7.02 3.24 0.00 0.67 0.98 0.00 2.62 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 8.02 4.94 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 93 G 6.70 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.10 0.00 1.90 1.88 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 95 Y 7.72 4.09 0.00 2.87 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 96 F 8.98 4.74 0.00 3.06 3.05 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 0.00 0.00 0.00 97 V 7.93 5.01 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 0.80 0.00 0.00 1.01 0.00 0.00 98 G 9.08 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 0.00 0.00 0.00 0.00 99 P 0.00 4.98 0.00 1.99 2.08 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 100 V 9.09 4.48 2.15 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 0.92 0.00 0.00 0.98 0.00 0.00 101 V 8.65 5.13 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 1.01 0.00 0.00 1.05 0.00 0.00 102 A 9.40 4.79 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 0.00 103 G 7.79 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 0.00 0.00 0.00 0.00 104 I 8.09 4.64 1.92 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 1.31 0.75 0.93 0.00 0.00 105 N 8.85 4.96 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.