NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2055 8.1727 122.0602 56.3237 34.0996 173.9910 2 V 4.6154 8.2643 127.4126 60.9119 32.1385 174.5733 3 F 4.4352 9.4665 127.8973 57.3156 40.2298 175.4472 4 G 3.8994 9.0568 108.6657 45.5532 0.0000 174.8435 5 R 3.3264 8.7686 120.3702 59.7475 30.0124 179.6747 6 C 4.3566 8.0844 115.4935 59.7318 35.8112 175.5789 7 E 3.8891 8.0905 120.7111 59.2094 29.2572 178.5261 8 L 3.6176 8.1987 120.3935 57.7556 42.0951 178.6099 9 A 3.9314 8.0211 120.5887 55.2197 18.3570 179.4881 10 A 3.9359 8.2390 119.0868 55.2361 18.5090 179.7686 11 A 3.9863 7.9616 119.2216 55.6113 18.4686 179.8330 12 M 3.8700 8.3128 117.6799 58.1890 31.9496 178.9653 13 K 3.9900 8.2958 122.4171 60.1358 32.1771 179.7695 14 R 3.9882 7.8919 119.9115 61.3018 29.2625 179.3624 15 H 4.8298 7.7567 113.7949 55.1525 28.8034 175.5608 16 G 3.8569 7.7939 108.1348 46.6757 0.0000 175.4469 17 L 3.6963 7.7210 121.3809 55.6384 41.9860 176.5560 18 D 4.7071 7.9457 118.3993 55.5301 41.2175 175.3154 19 N 4.4524 9.3649 122.9445 53.8282 37.0461 173.4158 20 Y 4.1407 8.2830 121.1714 58.9383 39.1254 176.1879 21 R 3.6859 9.0807 125.0480 57.2383 27.8659 177.1360 22 G 3.6414 8.1627 103.5143 45.5729 0.0000 173.6352 23 Y 4.5536 7.8794 118.6000 55.5738 38.9458 175.8369 24 S 5.0612 8.5625 119.3611 57.3829 64.2279 174.8251 25 L 4.2928 9.2243 123.9926 58.9712 41.5856 179.8206 26 G 3.9551 8.4082 104.6595 48.0005 0.0000 175.0831 27 N 4.4405 8.3747 118.5760 56.1922 38.5533 177.5144 28 W 3.8679 7.8389 119.8058 59.4515 29.1097 178.9217 29 V 3.5824 7.7552 117.8568 66.0463 31.1056 178.4282 30 C 2.6521 8.0474 118.2835 59.0069 40.3502 175.3209 31 A 3.8992 7.9530 122.1570 55.2033 17.8622 179.4905 32 A 4.2730 7.8547 120.5341 54.4121 18.4169 179.6908 33 K 2.6406 7.7223 118.1114 59.4388 31.9761 178.9096 34 F 4.2603 7.4851 115.2669 59.2125 38.9588 177.1573 35 E 4.4094 7.9093 118.2287 57.8944 30.1539 177.1026 36 S 4.5359 7.8633 109.6628 56.5089 64.4313 173.4293 37 N 3.4244 8.5591 118.2808 54.8515 37.6399 174.2750 38 F 4.1102 7.9492 110.9118 57.7454 36.7452 173.9109 39 N 5.2290 7.9525 121.2157 52.1447 39.0472 176.0151 40 T 4.0352 9.0960 117.9451 64.5012 69.0186 175.6539 41 Q 4.4198 8.4745 119.4837 55.6352 29.0546 175.4965 42 A 4.3672 7.9708 122.3872 52.4230 19.2963 177.3386 43 T 5.5407 8.1696 110.5671 59.7935 72.4543 173.1124 44 N 4.9225 8.1903 119.2333 51.9938 43.1112 173.3855 45 R 4.6561 8.6511 124.4269 55.7559 31.4458 175.1025 46 N 5.1484 8.8623 123.1733 51.3123 41.5160 176.0186 47 T 3.8839 8.6454 110.5395 64.7402 68.7874 174.7773 48 D 4.5209 8.0764 119.0000 53.3239 39.7035 177.0658 49 G 3.9179 8.2600 109.0621 45.2872 0.0000 173.8686 50 S 4.6979 8.1812 115.0551 58.0948 65.3271 173.1928 51 T 5.0315 9.1109 115.9861 62.0151 72.9526 172.8474 52 D 5.4339 8.8894 125.0834 53.1971 43.1835 175.1468 53 Y 5.0454 9.1677 120.7318 57.4252 42.0158 177.1970 54 G 4.3489 9.2835 111.3999 45.1932 0.0000 173.9097 55 I 4.2906 8.2227 109.9033 62.6910 37.4271 177.2258 56 L 4.6633 7.8930 118.0418 53.4572 42.5754 176.5128 57 Q 3.4296 7.9038 116.2545 57.0663 26.6122 174.1640 58 I 4.1656 8.1699 119.4221 60.5541 38.7833 175.6985 59 N 5.3463 9.0024 124.1457 53.1626 39.5590 175.7712 60 S 4.5543 9.0211 120.0873 60.2513 63.6584 175.0068 61 R 4.0683 8.7487 121.5019 57.1089 30.4884 177.2494 62 W 4.0885 8.1330 115.3335 57.8273 31.5406 176.7326 63 W 4.9830 8.4348 116.9785 57.5191 30.4937 173.5813 64 C 5.4256 8.2012 112.2252 54.1110 44.7758 172.5112 65 N 5.1704 9.0800 118.1144 51.7804 40.5708 174.2952 66 D 4.7720 8.6337 123.1025 52.1476 40.5603 176.8262 67 G 3.9327 8.1903 107.1762 46.3423 0.0000 174.9709 68 R 4.2440 8.5192 118.3721 57.6395 30.9988 177.0826 69 T 4.5563 7.3089 107.7461 57.8771 68.4260 170.2710 70 P 4.2242 0.0000 0.0000 65.4205 32.0925 177.0070 71 G 3.8602 8.9044 110.9932 45.0661 0.0000 173.4785 72 S 4.1665 7.2948 113.8671 57.5427 63.9918 173.8724 73 R 4.2591 7.5210 120.0845 55.6155 31.5288 176.7817 74 N 5.0282 7.9676 115.7998 52.1656 38.8335 175.0650 75 L 4.0842 8.6069 120.5697 57.5556 42.3649 178.1494 76 C 4.5794 8.5155 113.9892 56.2289 41.0399 172.6689 77 N 4.2305 8.0613 118.1584 53.8358 37.3483 172.9938 78 I 4.6575 7.2763 110.6506 58.6853 41.5837 172.9039 79 P 4.7445 0.0000 0.0000 62.4732 32.2083 178.1734 80 C 3.9894 8.7446 119.4561 59.9236 41.0303 176.6440 81 S 3.8555 7.9297 115.2303 61.3073 61.8714 176.2473 82 A 4.0409 8.0431 124.1161 54.5119 17.5976 178.5975 83 L 4.3275 8.0293 116.2712 55.6101 41.6835 177.8436 84 L 5.4976 7.5738 117.5010 53.6707 42.7299 176.8616 85 S 4.3441 7.4546 113.1419 58.0173 62.7768 174.4048 86 S 4.2704 8.5641 119.2268 60.2636 63.1775 173.5803 87 D 4.6924 8.0562 121.8732 53.1143 40.9320 176.3213 88 I 4.0107 8.2778 120.0474 61.6311 37.6843 177.2392 89 T 3.6865 8.4023 119.5323 67.2111 68.3891 175.8257 90 A 3.9563 7.8953 121.5920 55.3889 18.4015 179.6894 91 S 4.0652 7.9225 113.1416 61.5646 62.9076 177.0107 92 V 3.2563 7.8564 121.1371 66.0391 31.1647 177.8748 93 N 4.1676 8.3036 116.6270 56.3537 38.2339 176.6716 94 C 4.2305 8.2775 119.7195 59.4903 43.5751 175.3322 95 A 4.0795 8.1204 122.5965 55.2736 17.5586 179.7620 96 K 3.6643 7.9142 116.9582 59.2954 31.7614 179.5474 97 K 4.0529 7.4727 119.2459 59.3947 31.9403 178.7579 98 I 3.3728 7.7135 120.5201 64.2048 37.1230 178.7996 99 V 4.1269 8.4018 119.7882 63.6843 31.0911 177.2845 100 S 4.8205 7.5874 113.5972 58.2345 63.3510 174.1833 101 D 4.6079 7.7790 120.0510 53.3951 39.7624 176.3733 102 G 3.7943 8.0557 109.4398 46.3756 0.0000 174.7263 *103 N 4.8188 8.4778 116.5851 50.7510 39.3688 181.4883 104 G 4.2489 7.9154 106.4343 46.4494 0.0000 174.6028 105 M 4.1464 7.7562 119.5574 56.0943 31.7662 177.8086 106 N 4.6910 7.7285 116.6901 55.4240 38.8309 176.2186 107 A 3.7981 7.4453 120.0525 53.7880 18.6386 177.7974 108 W 4.5402 8.2293 116.8797 55.0265 29.7812 176.8031 109 V 3.6763 8.3983 124.6515 65.9865 30.9485 177.4368 110 A 3.9610 8.1686 120.0040 54.8316 18.1678 179.3089 111 W 3.8851 8.1709 126.4633 60.5273 30.6875 178.0282 112 R 3.3423 8.0527 117.5679 59.4022 29.5876 177.8354 113 N 4.3975 8.1810 115.2303 55.0057 38.8144 176.6857 114 R 4.1536 7.7697 116.8064 55.8267 31.7389 175.9050 115 C 4.6394 7.1913 114.5300 57.7118 42.7653 174.3177 116 K 3.3763 6.5918 120.2804 57.8451 31.6462 176.8838 117 G 3.8541 8.8636 114.2218 45.5568 0.0000 172.9965 118 T 4.3645 7.3301 109.7777 60.3388 71.0802 175.9737 119 D 4.6879 8.1741 120.6606 53.2052 38.0191 176.4388 120 V 4.1096 8.0220 119.3364 64.8661 32.0933 178.3664 121 Q 4.1778 8.3510 119.7133 59.9298 27.7525 182.3841 122 A 4.2432 8.1893 120.5346 55.2420 18.0925 179.4389 123 W 4.2791 8.3268 116.5716 58.3817 29.2756 176.9363 124 I 4.4817 7.6951 111.3492 60.1428 37.6698 175.2206 125 R 3.9813 7.5457 122.3213 57.7855 30.2161 176.8232 126 G 3.9498 8.9188 112.5496 45.7743 0.0000 173.7820 127 C 4.6411 7.7589 119.1254 56.3478 41.5364 175.1320 *128 R 4.3483 8.2440 121.6378 54.8803 27.9752 177.2210 129 L 4.4009 8.1082 123.0805 54.2079 41.9839 176.8285 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 1 K 8.17 4.21 0.00 1.79 1.75 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.17 7.81 2 V 8.26 4.62 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 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.47 4.44 0.00 2.85 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 4 G 9.06 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 5 R 8.77 3.33 0.00 2.06 2.00 0.00 3.59 0.00 0.00 3.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 6 C 8.08 4.36 0.00 3.01 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 7 E 8.09 3.89 0.00 2.06 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 2.70 2.43 0.00 8 L 8.20 3.62 0.00 1.51 1.38 0.06 1.15 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 9 A 8.02 3.93 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 10 A 8.24 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.99 1.35 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 12 M 8.31 3.87 0.00 1.86 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.30 0.00 13 K 8.30 3.99 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 R 7.89 3.99 0.00 1.97 1.84 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 15 H 7.76 4.83 0.00 2.96 3.20 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.79 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 17 L 7.72 3.70 0.00 1.45 0.74 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.95 4.71 0.00 2.66 2.64 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 19 N 9.36 4.45 0.00 3.07 2.98 0.00 0.00 6.21 7.51 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 20 Y 8.28 4.14 0.00 3.24 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 21 R 9.08 3.69 0.00 2.31 2.19 0.00 3.51 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.70 0.00 22 G 8.16 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 23 Y 7.88 4.55 0.00 3.28 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 24 S 8.56 5.06 0.00 4.11 4.09 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 25 L 9.22 4.29 0.00 2.10 1.86 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.41 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 0.00 0.00 0.00 0.00 27 N 8.37 4.44 0.00 2.61 2.39 0.00 0.00 6.93 6.95 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 28 W 7.84 3.87 0.00 3.47 3.04 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 29 V 7.76 3.58 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 1.18 0.00 0.00 1.05 0.00 0.00 30 C 8.05 2.65 0.00 2.17 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 31 A 7.95 3.90 1.02 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 32 A 7.85 4.27 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 33 K 7.72 2.64 0.00 0.94 1.05 0.00 0.72 0.00 0.00 1.08 0.00 0.00 2.87 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.72 0.21 7.81 34 F 7.49 4.26 0.00 3.04 3.04 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 35 E 7.91 4.41 0.00 2.14 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 2.55 2.51 0.00 36 S 7.86 4.54 0.00 4.13 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 0.00 37 N 8.56 3.42 0.00 2.71 2.82 0.00 0.00 7.19 6.37 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 38 F 7.95 4.11 0.00 3.37 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 39 N 7.95 5.23 0.00 2.80 2.83 0.00 0.00 6.96 7.33 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 40 T 9.10 4.04 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 1.59 0.00 0.00 41 Q 8.47 4.42 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 42 A 7.97 4.37 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 43 T 8.17 5.54 3.92 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 1.18 0.00 0.00 44 N 8.19 4.92 0.00 2.71 2.68 0.00 0.00 6.53 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 45 R 8.65 4.66 0.00 1.77 1.80 0.00 3.25 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 46 N 8.86 5.15 0.00 2.84 2.72 0.00 0.00 6.53 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 47 T 8.65 3.88 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 1.22 0.00 0.00 48 D 8.08 4.52 0.00 2.82 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 49 G 8.26 3.92 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 0.00 0.00 0.00 50 S 8.18 4.70 0.00 4.02 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 51 T 9.11 5.03 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 0.52 0.00 0.00 52 D 8.89 5.43 0.00 2.67 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 9.17 5.05 0.00 2.93 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 54 G 9.28 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 55 I 8.22 4.29 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.93 0.00 0.00 56 L 7.89 4.66 0.00 1.73 1.91 0.78 0.57 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 Q 7.90 3.43 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 58 I 8.17 4.17 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.01 1.02 0.00 0.00 59 N 9.00 5.35 0.00 3.02 3.04 0.00 0.00 6.98 7.63 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 60 S 9.02 4.55 0.00 4.16 4.43 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 61 R 8.75 4.07 0.00 1.81 1.95 0.00 2.94 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.29 0.00 62 W 8.13 4.09 0.00 2.68 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 0.00 0.00 0.00 0.00 63 W 8.43 4.98 0.00 3.40 3.26 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 64 C 8.20 5.43 0.00 3.02 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 65 N 9.08 5.17 0.00 2.89 2.65 0.00 0.00 7.14 9.13 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 66 D 8.63 4.77 0.00 2.82 2.64 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 67 G 8.19 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 0.00 0.00 0.00 68 R 8.52 4.24 0.00 1.93 2.02 0.00 3.18 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 69 T 7.31 4.56 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 1.21 0.00 0.00 70 P 0.00 4.22 0.00 2.03 2.04 0.00 3.64 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 2.02 2.10 0.00 71 G 8.90 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 72 S 7.29 4.17 0.00 3.98 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 73 R 7.52 4.26 0.00 1.58 1.72 0.00 2.84 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 74 N 7.97 5.03 0.00 2.66 2.61 0.00 0.00 6.90 6.66 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 75 L 8.61 4.08 0.00 1.80 1.89 0.37 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.52 4.58 0.00 3.35 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 77 N 8.06 4.23 0.00 2.82 2.83 0.00 0.00 6.90 7.55 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 78 I 7.28 4.66 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.42 0.99 0.00 0.00 79 P 0.00 4.74 0.00 2.19 2.18 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.74 3.99 0.00 2.11 1.18 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 81 S 7.93 3.86 0.00 4.04 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 82 A 8.04 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.33 0.00 1.89 1.79 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.57 5.50 0.00 1.80 1.77 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.45 4.34 0.00 3.88 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 86 S 8.56 4.27 0.00 4.00 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 87 D 8.06 4.69 0.00 2.69 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 88 I 8.28 4.01 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.22 0.60 0.00 0.00 89 T 8.40 3.69 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 90 A 7.90 3.96 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 91 S 7.92 4.07 0.00 3.92 3.87 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 92 V 7.86 3.26 1.99 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 0.69 0.00 0.00 0.68 0.00 0.00 93 N 8.30 4.17 0.00 2.68 2.80 0.00 0.00 6.73 7.25 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 94 C 8.28 4.23 0.00 3.10 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 95 A 8.12 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 96 K 7.91 3.66 0.00 1.72 1.52 0.00 1.27 0.00 0.00 0.94 0.00 0.00 2.14 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.89 7.81 97 K 7.47 4.05 0.00 1.73 1.99 0.00 1.92 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.67 1.60 7.81 98 I 7.71 3.37 1.60 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 -0.11 0.00 0.00 99 V 8.40 4.13 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 1.49 0.00 0.00 1.12 0.00 0.00 100 S 7.59 4.82 0.00 4.14 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 0.00 101 D 7.78 4.61 0.00 2.92 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 0.00 102 G 8.06 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 *103 N 8.48 4.82 0.00 2.61 2.77 0.00 0.00 6.82 7.52 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 0.00 104 G 7.92 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 0.00 0.00 0.00 0.00 105 M 7.76 4.15 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.00 106 N 7.73 4.69 0.00 2.95 2.98 0.00 0.00 6.88 7.20 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 0.00 107 A 7.45 3.80 0.74 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 0.00 108 W 8.23 4.54 0.00 3.55 3.08 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 0.00 109 V 8.40 3.68 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 1.15 0.00 0.00 0.95 0.00 0.00 110 A 8.17 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.17 3.89 0.00 3.28 3.45 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 0.00 112 R 8.05 3.34 0.00 2.05 2.13 0.00 3.33 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 113 N 8.18 4.40 0.00 2.59 2.72 0.00 0.00 6.93 8.52 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 0.00 114 R 7.77 4.15 0.00 0.84 0.66 0.00 2.95 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.00 115 C 7.19 4.64 0.00 2.26 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 0.00 116 K 6.59 3.38 0.00 0.79 1.22 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.22 1.13 7.81 117 G 8.86 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 0.00 118 T 7.33 4.36 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 0.00 119 D 8.17 4.69 0.00 2.83 2.62 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 0.00 120 V 8.02 4.11 2.24 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 0.91 0.00 0.00 1.07 0.00 0.00 121 Q 8.35 4.18 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 122 A 8.19 4.24 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 0.00 123 W 8.33 4.28 0.00 3.51 3.41 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 0.00 124 I 7.70 4.48 1.94 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 1.45 1.10 1.04 0.00 0.00 125 R 7.55 3.98 0.00 1.80 1.93 0.00 3.27 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 G 8.92 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 0.00 127 C 7.76 4.64 0.00 3.09 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 *128 R 8.24 4.35 0.00 1.82 1.75 0.00 3.23 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 1.49 1.21 0.00 129 L 8.11 4.40 0.00 1.62 1.59 0.96 0.92 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 * Residues marked with a * may have inaccurate shift predictions.