NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7215 8.2233 120.4411 54.7036 42.8626 173.8618 3 Y 5.0138 8.3512 117.6610 56.6443 42.8050 170.5343 4 E 4.7238 10.0224 121.7696 54.9169 32.2329 175.1770 5 I 4.7924 8.3171 124.4945 59.2340 40.5665 174.3818 6 L 4.6528 8.7740 129.3271 53.2026 44.4428 174.7436 7 F 5.3667 8.8440 124.7574 55.8043 41.2379 174.9047 8 S 4.8963 9.3011 118.2328 56.6572 64.6873 174.5787 9 D 4.5162 9.0940 126.1770 56.0292 40.8496 176.3472 10 E 4.0959 8.3330 122.0362 56.0048 30.2484 175.2058 11 T 4.8440 8.0650 115.8267 60.8287 71.0084 173.3018 12 M 4.8849 8.8086 119.8975 54.2410 35.4739 173.5722 13 N 5.7667 8.6370 117.4411 52.2103 39.1723 175.3688 14 Y 2.7652 8.4358 118.3463 60.1829 38.5343 177.6640 15 A 3.7542 7.8079 121.1739 55.3693 18.5750 179.2788 16 D 4.3875 9.0067 118.8724 56.6017 40.8161 178.8246 17 A 4.0806 8.0236 121.6346 55.0513 18.3821 179.7821 18 G 3.4320 7.6108 104.3624 48.2801 0.0000 176.0486 19 T 3.8977 7.7875 112.6672 64.1780 68.3287 175.8854 20 Y 4.1007 8.4023 122.8876 60.8499 38.8291 177.5754 21 C 4.1832 8.3753 117.2454 60.1914 37.3462 176.0041 22 Q 4.1233 8.4182 121.1797 58.4198 28.1105 179.2705 23 S 4.2350 8.1581 113.7996 60.4450 63.0657 175.6096 24 R 4.3853 6.9571 119.9756 55.2865 30.0451 176.6355 25 G 3.8470 7.7854 106.5514 46.2086 0.0000 172.9802 26 M 5.0423 8.0299 119.4128 53.1242 36.3965 174.0121 27 A 4.7778 8.6291 119.3157 49.9248 23.1635 175.6833 28 L 4.4344 8.6097 121.6644 55.0847 42.9406 177.2544 29 V 3.5036 8.7829 126.0637 63.1008 31.7458 175.2899 30 S 4.2701 9.8837 119.8726 58.3097 70.0800 176.4879 31 S 3.8310 7.9279 116.5770 60.2119 62.8642 176.3253 32 A 3.2522 7.7565 123.9028 54.8991 17.7463 179.2446 33 M 3.8796 7.1419 116.3385 57.7257 32.0448 178.1817 34 R 4.2966 6.9513 115.6852 55.4468 30.7760 175.6856 35 D 4.6118 7.2223 120.6917 52.8213 41.7656 176.5369 36 S 4.1203 8.9284 123.0636 62.2000 62.5975 176.7986 37 T 3.9212 7.9144 118.5290 66.5093 68.3508 176.5356 38 M 4.0370 8.1992 120.7983 58.4780 31.9127 179.2227 39 V 3.5148 8.0665 119.5581 64.5907 31.3860 178.2671 40 K 3.8726 7.6816 119.2539 59.2615 31.9483 178.6621 41 A 4.0244 7.8462 120.5857 55.1206 18.2941 179.6260 42 I 3.8682 7.9965 118.4976 64.8141 37.1913 178.8319 43 L 4.4502 8.6128 120.9332 56.9343 41.2924 179.4648 44 A 3.9753 8.0802 121.2959 54.8517 18.2794 179.4297 45 F 3.7968 8.0537 119.1924 61.6947 39.6219 177.6031 46 T 3.8965 7.9918 109.3995 64.4771 68.1897 175.9205 47 E 3.8781 8.1789 121.8949 59.1477 29.7342 178.7023 48 V 3.6321 7.1647 116.2939 66.0964 31.7221 177.9729 49 K 4.0872 8.0403 118.1771 57.0056 31.6479 177.7369 50 G 4.0680 8.2858 106.5011 46.9555 0.0000 172.4693 51 H 5.0459 7.5617 111.3839 53.2528 32.8340 173.4120 52 D 5.0207 8.5135 119.3804 54.5588 42.0826 175.3604 53 Y 4.9717 8.9402 119.8006 55.8388 41.9724 175.3318 54 W 5.1464 9.3013 122.8880 57.0368 30.6636 175.6351 55 V 4.8006 8.9629 114.8022 59.2214 35.3627 176.7434 56 G 4.5842 9.6465 110.9213 44.3658 0.0000 172.7277 57 A 5.4104 8.1999 120.2092 50.9555 23.7304 175.9204 58 D 4.9196 8.7348 119.0240 53.2072 43.4027 175.7009 59 N 4.8522 8.6406 113.5327 52.3848 37.5490 176.4447 60 L 3.9031 8.1532 120.8933 58.4577 41.9508 178.7595 61 Q 4.0542 8.1288 118.1792 58.8518 29.1606 176.2188 62 D 4.5648 7.9765 113.8967 53.1767 42.0452 177.7272 63 G 3.7440 8.2950 109.8993 45.3785 0.0000 174.7906 64 A 3.9800 7.7319 122.1225 52.8159 17.7419 177.9305 65 Y 4.6056 8.0220 109.7059 60.1543 38.8037 175.7783 66 N 4.9446 7.5860 117.6331 52.0453 37.4704 174.9432 67 F 4.5853 7.8869 119.2705 57.2976 41.0802 175.2160 68 L 5.2672 9.0221 123.2360 52.5140 45.0593 176.4524 69 W 4.9489 9.2473 123.7084 56.4659 30.3773 177.2139 70 N 4.5911 9.6133 119.8061 54.9338 36.9318 175.9469 71 D 4.6890 8.3328 117.7795 53.2009 39.7817 177.2808 72 G 4.0110 8.4186 108.8224 45.2718 0.0000 174.0583 73 V 4.0893 7.6918 120.1078 62.1931 32.8097 175.4636 74 S 4.6794 8.8879 121.9946 58.6531 63.2908 173.6741 75 L 4.7203 8.4930 128.8254 52.1111 41.7643 173.3946 76 P 4.4501 0.0000 0.0000 62.9048 32.0172 178.0124 77 T 3.9968 8.8274 118.9954 66.1106 68.5723 174.6989 78 D 4.8884 7.9802 119.0871 52.8674 40.0378 176.3999 79 S 4.3711 8.2466 114.8278 59.0107 62.8034 174.9555 80 D 4.6135 8.6288 125.3842 56.6108 41.0313 177.7233 81 L 4.1363 8.2585 119.6721 56.5317 41.8975 176.9656 82 W 4.8536 7.6126 118.5223 56.2249 29.9242 176.7875 83 S 4.3320 9.3839 120.1983 57.6816 63.9054 171.9569 84 P 4.1777 0.0000 0.0000 63.8444 31.4404 176.1479 85 N 4.2474 8.8893 120.1080 54.1884 35.9769 173.6795 86 E 4.6817 7.7311 115.7940 53.5001 33.0709 174.2324 87 P 4.1389 0.0000 0.0000 62.5403 31.9070 176.3484 88 S 4.6723 8.5705 111.3381 56.5338 64.5992 174.0271 89 N 4.2624 8.5575 119.0004 51.9518 39.1608 173.0741 90 P 4.0325 0.0000 0.0000 62.7666 31.8249 178.0332 91 Q 3.8435 8.4548 122.2690 58.4810 28.7412 177.9416 92 S 4.4607 7.8533 110.1415 58.4128 63.6079 174.1369 93 W 4.6983 7.8272 121.4693 55.9710 29.9727 175.7944 94 Q 4.3194 8.4931 119.6553 55.5348 28.8803 175.5807 95 L 5.2483 9.7985 123.4771 53.1805 45.0441 175.1380 96 C 5.0791 9.4625 120.6278 55.0535 41.8542 172.8174 97 V 5.0820 8.3446 121.3139 61.4293 33.5103 174.6406 98 Q 5.1574 9.0067 124.3480 54.5447 33.0137 174.3439 99 I 4.7569 9.2141 121.2128 59.8269 38.2326 175.0035 100 W 5.1939 9.2810 135.0000 56.5375 31.0389 177.4931 101 S 4.2587 9.7904 123.3545 61.0419 62.6960 175.6024 102 K 3.4068 7.1186 121.3119 58.5299 31.5830 176.4587 103 Y 4.5435 6.8953 111.6353 56.3450 39.7037 174.3869 104 N 4.2529 8.5311 117.8160 54.1508 38.0669 172.6195 105 L 4.9185 7.5245 113.8873 52.7609 47.4212 176.0431 106 L 4.6460 8.9592 120.3680 55.4969 42.7587 176.2858 107 D 5.3534 9.0304 120.8883 53.1843 45.2588 173.5406 108 D 5.3525 8.7350 124.9550 52.8964 40.9963 175.7444 109 V 4.6721 9.0251 115.0285 59.4220 36.8730 174.7842 110 G 4.1796 8.8725 108.7444 46.6688 0.0000 174.6621 111 C 4.8024 8.8951 116.4061 57.1102 40.7793 176.1062 112 G 3.5467 8.0971 109.2637 47.7071 0.0000 174.9109 113 G 3.9371 8.1262 106.6866 45.9886 0.0000 172.7797 114 A 4.8899 8.5097 124.2937 51.5572 19.6177 176.9986 115 R 4.4868 9.1649 120.1528 54.3353 35.4873 174.9048 116 R 4.6467 7.9353 119.5574 55.7472 31.6331 175.8406 117 V 4.9724 8.3962 119.0985 61.3350 35.2285 174.2840 118 I 4.9234 8.1825 126.5338 59.9101 40.2478 173.9713 119 C 5.5371 9.2940 125.0948 55.1827 44.6555 172.7159 120 E 5.2400 9.3436 118.3592 54.8922 33.5776 174.8743 121 K 4.6291 8.7882 121.7679 55.1431 35.3781 174.6357 122 E 3.8296 8.8972 129.8360 56.2973 30.2000 176.5017 123 L 4.2361 8.2272 126.5675 55.1250 42.6844 177.5028 *124 D 4.4161 8.3097 120.9515 53.5124 40.4930 175.0248 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 2 D 8.22 4.72 0.00 2.49 2.59 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 3 Y 8.35 5.01 0.00 2.79 2.74 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 4 E 10.02 4.72 0.00 1.91 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 2.24 2.26 0.00 5 I 8.32 4.79 1.69 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.22 0.00 0.00 6 L 8.77 4.65 0.00 1.69 1.46 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.84 5.37 0.00 2.81 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 8 S 9.30 4.90 0.00 3.94 3.56 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 9 D 9.09 4.52 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.33 4.10 0.00 2.03 1.71 0.00 0.00 0.00 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 2.24 0.00 11 T 8.06 4.84 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 1.09 0.00 0.00 12 M 8.81 4.88 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 13 N 8.64 5.77 0.00 3.22 3.28 0.00 0.00 6.37 7.57 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 14 Y 8.44 2.77 0.00 1.43 2.43 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 0.00 0.00 0.00 0.00 15 A 7.81 3.75 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 16 D 9.01 4.39 0.00 2.75 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 17 A 8.02 4.08 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 18 G 7.61 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.79 3.90 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 1.21 0.00 0.00 20 Y 8.40 4.10 0.00 3.07 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 21 C 8.38 4.18 0.00 3.17 3.11 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 22 Q 8.42 4.12 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 23 S 8.16 4.23 0.00 3.95 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 24 R 6.96 4.39 0.00 1.59 1.86 0.00 2.57 0.00 0.00 2.93 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 25 G 7.79 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 0.00 0.00 0.00 26 M 8.03 5.04 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 27 A 8.63 4.78 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 28 L 8.61 4.43 0.00 1.64 1.82 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.78 3.50 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 0.76 0.00 0.00 0.71 0.00 0.00 30 S 9.88 4.27 0.00 3.93 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 0.00 31 S 7.93 3.83 0.00 4.07 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 0.00 32 A 7.76 3.25 0.47 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 0.00 0.00 33 M 7.14 3.88 0.00 1.88 1.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 34 R 6.95 4.30 0.00 1.70 1.85 0.00 3.11 0.00 0.00 2.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.00 35 D 7.22 4.61 0.00 2.66 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 36 S 8.93 4.12 0.00 4.08 4.13 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 37 T 7.91 3.92 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 1.22 0.00 0.00 38 M 8.20 4.04 0.00 1.83 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.82 0.00 39 V 8.07 3.51 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 0.97 0.00 0.00 0.93 0.00 0.00 40 K 7.68 3.87 0.00 2.13 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.47 7.81 41 A 7.85 4.02 1.39 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 0.00 0.00 0.00 42 I 8.00 3.87 1.99 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.93 0.00 0.00 43 L 8.61 4.45 0.00 1.74 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.08 3.98 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 45 F 8.05 3.80 0.00 2.80 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 46 T 7.99 3.90 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 0.83 0.00 0.00 47 E 8.18 3.88 0.00 2.20 2.19 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 2.30 2.45 0.00 48 V 7.16 3.63 1.94 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 0.72 0.00 0.00 0.87 0.00 0.00 49 K 8.04 4.09 0.00 1.95 2.00 0.00 1.78 0.00 0.00 1.35 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.07 1.38 7.81 50 G 8.29 4.07 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 51 H 7.56 5.05 0.00 3.07 3.01 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.51 5.02 0.00 2.47 2.66 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 53 Y 8.94 4.97 0.00 2.99 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 54 W 9.30 5.15 0.00 3.37 3.21 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 55 V 8.96 4.80 2.48 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 0.85 0.00 0.00 1.08 0.00 0.00 56 G 9.65 4.58 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 0.00 0.00 0.00 57 A 8.20 5.41 0.50 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 58 D 8.73 4.92 0.00 2.78 2.40 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 59 N 8.64 4.85 0.00 2.70 2.24 0.00 0.00 7.41 6.01 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 60 L 8.15 3.90 0.00 1.79 1.81 0.98 0.74 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 61 Q 8.13 4.05 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 62 D 7.98 4.56 0.00 2.66 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 63 G 8.30 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 0.00 0.00 0.00 64 A 7.73 3.98 0.95 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 65 Y 8.02 4.61 0.00 2.91 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 66 N 7.59 4.94 0.00 2.72 2.76 0.00 0.00 6.87 7.01 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 67 F 7.89 4.59 0.00 3.28 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 68 L 9.02 5.27 0.00 1.59 1.61 0.96 0.77 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 69 W 9.25 4.95 0.00 3.52 3.10 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 70 N 9.61 4.59 0.00 2.99 3.19 0.00 0.00 6.92 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 71 D 8.33 4.69 0.00 2.82 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 72 G 8.42 4.01 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 0.00 0.00 0.00 73 V 7.69 4.09 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 1.12 0.00 0.00 1.03 0.00 0.00 74 S 8.89 4.68 0.00 4.02 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 75 L 8.49 4.72 0.00 1.07 1.46 -0.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.45 0.00 2.36 2.10 0.00 3.83 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 77 T 8.83 4.00 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 1.02 0.00 0.00 78 D 7.98 4.89 0.00 2.82 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 79 S 8.25 4.37 0.00 4.02 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 80 D 8.63 4.61 0.00 2.74 2.74 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 81 L 8.26 4.14 0.00 1.45 1.58 1.03 0.90 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 82 W 7.61 4.85 0.00 3.10 3.09 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 0.00 0.00 0.00 83 S 9.38 4.33 0.00 3.92 3.47 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 84 P 0.00 4.18 0.00 1.48 1.80 0.00 2.26 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.82 0.00 85 N 8.89 4.25 0.00 2.89 2.92 0.00 0.00 6.87 7.66 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 86 E 7.73 4.68 0.00 2.16 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 0.00 2.56 2.71 0.00 87 P 0.00 4.14 0.00 1.04 0.52 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 88 S 8.57 4.67 0.00 3.90 4.07 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 89 N 8.56 4.26 0.00 2.80 2.19 0.00 0.00 6.94 8.54 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 90 P 0.00 4.03 0.00 1.40 1.69 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.64 0.00 91 Q 8.45 3.84 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 92 S 7.85 4.46 0.00 4.03 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 93 W 7.83 4.70 0.00 3.44 3.14 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 94 Q 8.49 4.32 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 95 L 9.80 5.25 0.00 1.83 1.87 1.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 96 C 9.46 5.08 0.00 2.63 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 97 V 8.34 5.08 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 0.65 0.00 0.00 0.74 0.00 0.00 98 Q 9.01 5.16 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 99 I 9.21 4.76 2.08 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 1.20 0.90 1.05 0.00 0.00 100 W 9.28 5.19 0.00 3.42 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 0.00 101 S 9.79 4.26 0.00 4.03 4.13 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 0.00 102 K 7.12 3.41 0.00 0.79 0.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.68 7.81 103 Y 6.90 4.54 0.00 2.89 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 0.00 104 N 8.53 4.25 0.00 2.76 2.86 0.00 0.00 6.90 7.41 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 0.00 105 L 7.52 4.92 0.00 1.70 1.76 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.96 4.65 0.00 1.09 0.77 0.36 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.03 5.35 0.00 3.20 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 0.00 0.00 0.00 0.00 108 D 8.73 5.35 0.00 2.91 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 0.00 0.00 0.00 0.00 109 V 9.03 4.67 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 0.56 0.00 0.00 1.13 0.00 0.00 110 G 8.87 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 0.00 0.00 0.00 0.00 111 C 8.90 4.80 0.00 2.98 3.03 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 0.00 112 G 8.10 3.55 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 0.00 113 G 8.13 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 0.00 0.00 0.00 114 A 8.51 4.89 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 0.00 115 R 9.16 4.49 0.00 0.67 1.19 0.00 2.21 0.00 0.00 2.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.00 116 R 7.94 4.65 0.00 0.72 1.65 0.00 2.38 0.00 0.00 2.62 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 0.00 117 V 8.40 4.97 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 1.18 0.00 0.00 0.86 0.00 0.00 118 I 8.18 4.92 1.85 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 1.27 0.79 0.40 0.00 0.00 119 C 9.29 5.54 0.00 2.81 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 0.00 120 E 9.34 5.24 0.00 1.86 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 2.29 2.26 0.00 121 K 8.79 4.63 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 122 E 8.90 3.83 0.00 1.95 1.75 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 2.03 1.89 0.00 123 L 8.23 4.24 0.00 1.42 1.49 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *124 D 8.31 4.42 0.00 2.44 2.48 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 * Residues marked with a * may have inaccurate shift predictions.