NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4206 8.3349 115.4090 57.6888 65.1186 173.7872 2 T 3.8607 7.7233 118.7895 63.7025 68.8831 171.9205 3 A 4.6153 8.5514 124.7661 51.6531 23.1216 174.5241 4 S 5.3198 8.6661 113.3072 57.5729 66.1856 172.9734 *6 A 3.9706 8.3255 123.3430 51.7483 19.2640 175.8605 7 V 4.1358 8.0431 123.3208 60.6322 34.0811 174.5715 8 E 4.2953 8.6371 127.6533 56.1287 29.8458 177.5165 9 A 4.6927 9.0202 127.6752 54.5965 18.5653 178.7495 10 E 4.3248 8.6412 111.8042 58.7782 29.8004 176.6601 11 N 4.7061 8.1684 117.5866 52.9740 39.1006 175.4328 12 F 3.8926 7.8178 112.6154 56.9944 38.4282 174.2790 13 N 4.8132 8.8774 118.9503 54.2681 38.4085 174.7889 14 A 4.8766 7.7795 119.3314 51.0696 22.6674 175.3785 15 V 4.4549 8.1077 111.8038 59.8487 36.0186 174.7331 16 G 3.5630 6.9025 108.1945 44.4408 0.0000 172.1584 17 G 5.1101 8.1141 112.6563 44.9547 0.0000 172.8555 18 T 4.0574 7.9962 111.7253 63.2073 69.6617 175.5325 19 F 3.5872 8.1710 123.3345 58.6466 39.3619 174.8248 20 S 4.2561 7.5634 124.5027 58.0651 61.5669 173.2930 21 D 4.9080 8.4805 123.4600 52.2836 39.9005 177.3844 22 G 3.8262 8.0420 106.8758 46.3944 0.0000 173.6999 23 Q 4.2545 8.1579 119.1683 53.8764 30.2423 176.8100 24 A 3.8994 8.3181 122.0085 54.6174 18.5399 178.0835 25 Q 4.6160 7.3110 111.4080 53.3341 32.4137 174.7681 26 P 4.0727 0.0000 0.0000 64.5453 31.6359 176.7664 27 V 4.4158 6.9452 117.2984 61.0768 34.5516 174.6597 28 S 4.9617 8.9840 122.2855 56.7924 66.6853 172.7965 29 V 5.2946 8.4234 120.4422 61.7266 34.0413 173.7901 30 Y 5.1368 9.6326 124.0516 56.3254 42.1625 173.3673 31 T 5.0830 8.4755 115.2768 61.7149 72.1661 174.5352 32 V 4.3514 8.4552 124.3793 61.4688 34.3126 174.7963 33 N 4.2646 9.9222 121.1169 54.3291 35.9960 175.2735 34 G 3.8415 8.4601 103.7086 45.6675 0.0000 173.5711 35 N 4.7556 8.0601 118.5313 51.9008 39.9457 174.4573 36 T 4.6800 8.3993 120.9866 63.0921 69.8339 174.1906 37 A 4.9650 9.1211 126.4557 50.6296 23.5261 175.0232 38 I 5.0711 8.8169 113.7730 60.6845 39.8796 175.0376 39 N 5.4006 8.8781 120.8758 52.1190 41.0614 173.3352 40 Y 3.8340 8.0779 113.0666 59.2053 35.8360 171.1073 41 V 3.6831 7.4938 118.8765 62.0448 32.1032 174.7224 42 N 4.6421 8.8373 124.8594 50.4953 40.7767 174.0707 43 Q 4.0002 7.5039 120.9427 58.0440 29.1534 177.0598 44 G 4.0707 8.8277 114.2819 45.3263 0.0000 173.3776 45 D 4.7977 7.7704 119.9671 54.7370 42.2513 174.8530 46 Y 5.3883 8.0780 117.4039 56.0945 42.1642 173.4004 47 A 4.8736 9.1297 121.3480 50.4252 22.7920 174.6534 48 D 5.4895 9.0501 122.6748 52.8345 43.6087 175.2681 49 Y 5.1323 9.7415 120.0373 56.5723 42.2926 174.3657 50 T 4.9485 8.7581 118.7825 62.0940 70.7469 173.9754 51 I 4.6819 9.1256 126.7467 59.4104 40.9060 174.2084 52 A 4.7983 8.7286 128.9961 50.8852 20.1847 176.4469 53 V 4.1568 9.1003 123.4997 61.0628 32.9598 176.2552 54 A 4.0324 8.8663 132.2458 54.1350 18.6206 176.5341 55 Q 4.6502 7.8811 116.6351 53.9301 30.5494 175.5633 56 A 4.3321 8.9784 128.9320 51.9903 19.3530 176.4134 57 G 3.7199 7.9835 108.1079 46.3844 0.0000 172.0055 58 N 5.2310 8.6432 119.6059 52.4910 38.2188 173.3693 59 Y 4.3663 8.9468 123.1916 57.6367 39.6360 174.9745 60 T 4.5629 8.9932 120.7260 63.3521 70.4116 173.6108 61 I 4.5653 8.6597 126.6941 59.6108 39.5666 174.5780 62 S 4.8878 8.7472 121.4494 56.6421 65.4178 172.0905 63 Y 5.1088 8.8621 124.8174 56.7664 40.6337 175.2620 64 Q 5.1193 9.2589 123.0946 54.5771 28.8080 174.4060 65 A 5.5818 9.0403 124.7304 50.1867 23.3636 174.6853 66 G 4.5206 9.3137 104.9316 45.3688 0.0000 171.7584 67 S 4.3394 8.3700 113.6948 56.4884 66.0874 174.3942 68 G 3.1616 5.3800 111.1019 43.6874 0.0000 173.0757 69 V 4.3977 6.5533 111.6116 59.4867 35.5515 174.8342 70 T 4.3229 8.0529 117.6623 63.6604 69.7633 175.3244 71 G 4.1341 9.0475 113.5457 45.0741 0.0000 172.6951 72 G 4.6320 7.9397 106.9970 44.5508 0.0000 173.4859 73 S 5.1993 9.0449 118.4213 56.8901 68.0338 172.8538 74 I 4.4562 8.3435 125.0841 59.9182 38.5912 174.2166 75 E 4.9377 9.1631 129.5700 54.8624 31.0167 175.0919 76 F 4.7759 9.2000 129.9964 57.0528 41.9932 174.3988 *78 V 4.5770 8.0148 121.1207 62.7630 32.9389 173.6530 79 N 4.1484 8.7950 127.1697 53.1330 39.2789 174.4332 80 E 4.3418 8.7436 126.0764 55.5081 31.3440 175.0936 81 N 4.0959 8.6881 123.9446 54.7097 34.7580 174.9969 82 G 3.8802 8.0800 100.1782 46.0961 0.0000 173.2817 83 S 4.4255 7.4450 112.9263 55.4943 65.0032 173.0208 84 W 4.7372 8.8307 127.9011 56.6993 29.6108 175.2688 85 A 4.7982 8.9057 127.0947 49.8789 20.3002 176.1099 86 S 4.1485 8.9317 118.4710 59.1058 62.6612 173.0386 87 K 4.6591 9.4333 127.4101 57.8604 32.8232 176.5415 88 T 4.8530 7.7867 108.4205 60.0285 72.8043 171.9560 89 V 4.9317 8.3876 121.5865 61.5828 34.6366 174.7942 90 T 4.6812 8.7233 123.1716 61.5517 72.0143 173.4523 91 A 4.3112 8.8304 128.5797 51.9735 19.5594 176.5847 92 V 4.1783 8.2978 121.2343 60.3405 32.5822 174.2279 93 P 4.2205 0.0000 0.0000 63.0685 31.4037 176.3842 94 N 4.6125 8.3860 120.3058 52.5114 37.5517 174.4988 95 Q 4.4739 8.2293 119.9116 54.9159 30.7732 175.5782 96 G 3.9997 8.0834 107.8524 44.3579 0.0000 175.7387 97 W 4.3039 8.6957 123.1718 59.3604 29.1992 176.7222 98 D 4.4036 7.9960 114.6525 54.1295 40.9009 176.5058 99 N 4.6102 7.1769 119.8642 51.9896 37.5459 173.0574 100 F 4.7739 7.9042 121.2214 57.0981 40.3125 174.4834 101 Q 4.7702 9.2479 121.6861 53.1998 32.9935 173.1048 102 P 4.8394 0.0000 0.0000 62.9379 32.4081 175.6818 103 L 4.7016 8.9257 125.0682 53.2396 45.4257 174.7076 104 N 4.5699 9.1100 126.0711 53.4524 39.3781 174.4425 105 G 3.9058 9.0357 113.3698 45.6791 0.0000 175.6233 106 G 3.9366 8.5520 110.0240 44.8334 0.0000 172.9835 107 S 5.2682 8.2986 114.6835 56.7875 67.2787 174.1832 108 V 4.4926 8.6159 121.0097 60.2811 34.7754 173.5070 109 Y 4.8229 8.8125 126.0556 57.1749 39.7091 174.1738 110 L 4.6016 8.2069 127.1434 52.4665 44.6115 176.6679 111 S 4.6286 8.6373 118.4124 57.6697 64.3189 173.8197 112 A 4.1652 8.5950 123.2896 51.5201 18.6629 178.3948 113 G 3.6035 7.7555 110.7886 45.1891 0.0000 170.8444 114 T 5.0002 7.9335 117.5902 62.0724 71.1053 173.6242 115 H 5.0203 9.3280 123.0738 54.0552 32.9493 172.5723 116 Q 5.1081 8.6570 120.7758 54.7446 30.5423 174.5256 117 V 4.7596 9.3753 124.8834 61.0322 34.2012 174.1553 118 R 4.8890 8.3935 127.0518 54.3805 32.5968 174.2572 119 L 4.8067 9.1094 126.5262 53.3335 44.0075 174.8331 120 H 5.3849 9.2024 124.0417 54.2119 33.2357 173.4013 121 G 4.1178 9.3778 113.2900 46.3839 0.0000 173.3062 122 A 4.4682 9.1782 126.9855 52.0562 20.1211 177.5292 123 G 3.9447 8.4403 105.2514 44.4960 0.0000 173.6471 124 S 4.3397 8.4214 112.4177 59.8197 63.7214 174.2407 125 N 4.6006 7.9832 119.7689 52.8577 39.6530 174.0528 126 N 4.0568 8.8747 121.9963 55.7744 39.6132 174.5848 127 W 4.2937 8.5156 116.8880 55.3397 30.7152 174.9808 128 Q 4.5939 8.8838 121.3426 55.1972 29.9104 175.4833 129 W 5.1962 7.0624 116.0524 56.5068 31.0678 172.7469 130 N 5.7567 9.8248 118.3031 51.7664 41.7134 173.9238 131 L 5.0271 9.1344 123.2342 54.0255 45.1508 176.2576 132 D 4.2948 9.1586 127.4612 56.4213 42.0351 175.7992 133 K 5.0050 7.5350 115.0230 56.2598 35.9585 173.2013 134 F 5.4921 8.6733 114.5396 55.4756 41.7730 173.7909 135 T 4.7746 9.2762 116.4241 61.7642 72.1736 172.7748 136 L 5.1859 8.4527 125.0762 53.1729 44.4644 175.4500 137 S 5.0964 9.2651 119.6920 56.6788 66.6521 173.8136 138 N 4.2447 9.0570 122.8857 53.4747 38.2673 174.1625 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 S 8.33 4.42 0.00 3.95 4.04 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 2 T 7.72 3.86 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 1.19 0.00 0.00 3 A 8.55 4.62 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 4 S 8.67 5.32 0.00 3.86 3.73 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 *6 A 8.33 3.97 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 0.00 0.00 7 V 8.04 4.14 0.67 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 0.79 0.00 0.00 0.57 0.00 0.00 8 E 8.64 4.30 0.00 1.93 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 0.00 2.34 2.23 0.00 9 A 9.02 4.69 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 0.00 0.00 0.00 0.00 0.00 10 E 8.64 4.32 0.00 2.16 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 0.00 2.29 2.30 0.00 11 N 8.17 4.71 0.00 2.97 2.89 0.00 0.00 6.98 8.18 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 12 F 7.82 3.89 0.00 2.99 2.52 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 N 8.88 4.81 0.00 2.71 3.01 0.00 0.00 6.67 7.29 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 14 A 7.78 4.88 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 V 8.11 4.45 1.56 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 -0.67 0.00 0.00 0.53 0.00 0.00 16 G 6.90 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 0.00 0.00 0.00 17 G 8.11 5.11 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 0.00 0.00 0.00 18 T 8.00 4.06 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 1.21 0.00 0.00 19 F 8.17 3.59 0.00 2.84 2.79 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 20 S 7.56 4.26 0.00 3.59 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 21 D 8.48 4.91 0.00 3.06 3.02 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 22 G 8.04 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 23 Q 8.16 4.25 0.00 2.11 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.07 1.46 0.00 24 A 8.32 3.90 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 25 Q 7.31 4.62 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 26 P 0.00 4.07 0.00 1.84 2.10 0.00 3.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 27 V 6.95 4.42 1.65 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 0.63 0.00 0.00 0.64 0.00 0.00 28 S 8.98 4.96 0.00 4.08 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 29 V 8.42 5.29 2.23 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 1.01 0.00 0.00 1.21 0.00 0.00 30 Y 9.63 5.14 0.00 3.08 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 31 T 8.48 5.08 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 1.23 0.00 0.00 32 V 8.46 4.35 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 0.78 0.00 0.00 1.02 0.00 0.00 33 N 9.92 4.26 0.00 2.94 2.97 0.00 0.00 7.15 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 34 G 8.46 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 0.00 0.00 0.00 35 N 8.06 4.76 0.00 2.80 2.70 0.00 0.00 6.98 7.05 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 36 T 8.40 4.68 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 1.24 0.00 0.00 37 A 9.12 4.96 1.16 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 0.00 0.00 38 I 8.82 5.07 2.05 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 1.31 0.00 0.00 39 N 8.88 5.40 0.00 2.48 2.92 0.00 0.00 7.00 7.15 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 40 Y 8.08 3.83 0.00 3.03 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 41 V 7.49 3.68 1.63 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 -0.27 0.00 0.00 0.81 0.00 0.00 42 N 8.84 4.64 0.00 2.40 1.69 0.00 0.00 6.18 8.04 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 43 Q 7.50 4.00 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 44 G 8.83 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 45 D 7.77 4.80 0.00 2.45 2.31 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 46 Y 8.08 5.39 0.00 2.97 2.98 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 47 A 9.13 4.87 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 48 D 9.05 5.49 0.00 2.75 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 49 Y 9.74 5.13 0.00 3.00 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 50 T 8.76 4.95 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 1.26 0.00 0.00 51 I 9.13 4.68 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.91 0.00 0.00 52 A 8.73 4.80 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 53 V 9.10 4.16 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 0.83 0.00 0.00 0.85 0.00 0.00 54 A 8.87 4.03 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 55 Q 7.88 4.65 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 56 A 8.98 4.33 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 57 G 7.98 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 58 N 8.64 5.23 0.00 2.88 2.79 0.00 0.00 7.00 7.54 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 59 Y 8.95 4.37 0.00 2.97 2.79 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 60 T 8.99 4.56 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 1.15 0.00 0.00 61 I 8.66 4.57 1.59 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.32 0.07 0.00 0.00 62 S 8.75 4.89 0.00 3.78 3.60 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 63 Y 8.86 5.11 0.00 2.91 2.76 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 64 Q 9.26 5.12 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 65 A 9.04 5.58 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 66 G 9.31 4.52 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 0.00 0.00 0.00 67 S 8.37 4.34 0.00 3.83 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 5.38 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 0.00 0.00 0.00 69 V 6.55 4.40 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 0.91 0.00 0.00 1.03 0.00 0.00 70 T 8.05 4.32 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 71 G 9.05 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 0.00 0.00 0.00 72 G 7.94 4.63 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 0.00 0.00 0.00 73 S 9.04 5.20 0.00 3.80 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 74 I 8.34 4.46 0.90 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.16 0.00 0.00 75 E 9.16 4.94 0.00 2.12 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 2.29 2.32 0.00 76 F 9.20 4.78 0.00 3.29 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 *78 V 8.01 4.58 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 1.11 0.00 0.00 1.18 0.00 0.00 79 N 8.79 4.15 0.00 1.44 2.13 0.00 0.00 6.98 8.51 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 80 E 8.74 4.34 0.00 1.88 1.84 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 2.26 2.43 0.00 81 N 8.69 4.10 0.00 2.84 2.95 0.00 0.00 7.17 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 82 G 8.08 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 83 S 7.44 4.43 0.00 3.75 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 84 W 8.83 4.74 0.00 3.19 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 85 A 8.91 4.80 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 86 S 8.93 4.15 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 87 K 9.43 4.66 0.00 2.05 1.91 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.80 1.77 7.81 88 T 7.79 4.85 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 1.21 0.00 0.00 89 V 8.39 4.93 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 0.88 0.00 0.00 0.99 0.00 0.00 90 T 8.72 4.68 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 1.34 0.00 0.00 91 A 8.83 4.31 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 92 V 8.30 4.18 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 0.84 0.00 0.00 0.70 0.00 0.00 93 P 0.00 4.22 0.00 2.20 1.96 0.00 3.72 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 2.08 0.00 94 N 8.39 4.61 0.00 2.75 2.62 0.00 0.00 6.84 6.97 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 95 Q 8.23 4.47 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 96 G 8.08 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 97 W 8.70 4.30 0.00 3.23 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 98 D 8.00 4.40 0.00 2.66 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 99 N 7.18 4.61 0.00 2.65 2.87 0.00 0.00 7.15 7.03 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 0.00 100 F 7.90 4.77 0.00 3.08 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 0.00 101 Q 9.25 4.77 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 102 P 0.00 4.84 0.00 1.96 2.01 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 103 L 8.93 4.70 0.00 1.80 1.77 1.02 0.36 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 0.00 104 N 9.11 4.57 0.00 2.77 2.72 0.00 0.00 7.09 7.98 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 0.00 105 G 9.04 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 0.00 106 G 8.55 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 0.00 107 S 8.30 5.27 0.00 3.69 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 0.00 108 V 8.62 4.49 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 0.44 0.00 0.00 1.03 0.00 0.00 109 Y 8.81 4.82 0.00 3.06 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 0.00 110 L 8.21 4.60 0.00 1.39 1.25 0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.64 4.63 0.00 3.98 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 0.00 112 A 8.59 4.17 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 0.00 113 G 7.76 3.60 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 0.00 0.00 0.00 114 T 7.93 5.00 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 1.22 0.00 0.00 115 H 9.33 5.02 0.00 3.13 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.66 5.11 0.00 1.89 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 117 V 9.38 4.76 2.22 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 0.16 0.00 0.00 1.04 0.00 0.00 118 R 8.39 4.89 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.34 0.00 119 L 9.11 4.81 0.00 1.81 1.55 0.65 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.20 5.38 0.00 3.11 3.09 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.38 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 0.00 122 A 9.18 4.47 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 0.00 123 G 8.44 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 0.00 124 S 8.42 4.34 0.00 4.00 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 0.00 125 N 7.98 4.60 0.00 2.93 3.01 0.00 0.00 7.16 7.37 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 0.00 126 N 8.87 4.06 0.00 2.68 2.29 0.00 0.00 6.96 7.68 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 0.00 127 W 8.52 4.29 0.00 3.35 3.37 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 0.00 128 Q 8.88 4.59 0.00 1.38 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 129 W 7.06 5.20 0.00 3.51 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 0.00 130 N 9.82 5.76 0.00 3.29 3.44 0.00 0.00 6.77 6.52 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 0.00 131 L 9.13 5.03 0.00 2.09 1.86 1.09 1.39 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 0.00 132 D 9.16 4.29 0.00 1.58 2.38 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 0.00 133 K 7.53 5.00 0.00 1.86 1.97 0.00 1.41 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 F 8.67 5.49 0.00 3.08 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 0.00 135 T 9.28 4.77 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 0.00 136 L 8.45 5.19 0.00 1.44 1.39 1.00 0.76 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 0.00 137 S 9.27 5.10 0.00 3.72 3.71 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 0.00 138 N 9.06 4.24 0.00 1.44 2.34 0.00 0.00 7.09 7.29 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 * Residues marked with a * may have inaccurate shift predictions.