NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2773 8.3001 118.7933 52.7844 34.4709 175.1819 2 A 3.4053 7.8498 119.7462 52.8192 15.2960 176.7671 *3 H 4.6321 8.1632 119.4992 54.7074 31.2685 177.2133 4 K 4.6678 8.0927 126.3877 54.5012 31.7357 179.3472 5 K 4.9690 7.9302 112.2927 56.5197 33.4397 171.9588 6 G 3.8258 8.1183 114.6996 45.4903 0.0000 171.5246 7 L 4.5602 8.2867 122.1446 52.3090 43.1336 178.1516 8 G 3.9892 8.5018 119.2259 44.6843 0.0000 175.7646 9 S 4.5715 7.5735 108.3028 58.3747 62.3564 176.3266 10 T 4.3222 8.2509 119.2889 64.2736 68.9156 175.2561 11 R 4.5616 8.3698 122.1008 56.3937 32.5929 176.6745 12 N 4.7619 8.3030 112.6144 53.4831 38.4388 175.4226 13 G 3.7294 7.2423 106.6777 46.2752 0.0000 172.9821 14 R 4.3721 8.4357 117.9456 54.3567 29.9740 174.6202 15 D 4.4529 7.9975 118.3628 53.7726 43.7356 176.4083 16 S 4.3485 8.7001 122.4421 58.3254 63.5778 173.5718 17 Q 4.1720 8.6151 120.4994 55.4793 29.3146 175.3404 18 A 3.7661 8.1688 123.9436 52.2059 18.4568 176.8447 19 K 4.2892 8.7625 121.8186 55.5588 32.9457 176.9826 20 R 3.7024 7.7587 116.6173 57.2439 27.1957 174.7875 21 L 4.2776 7.2824 116.8645 53.1434 44.0207 175.6733 22 G 3.7551 8.6110 105.6152 44.1870 0.0000 173.4338 23 V 3.7365 7.9604 118.6626 62.8584 31.7179 175.6730 24 K 4.3723 8.9227 125.3986 56.1480 33.6328 176.5867 25 R 4.4818 7.2766 117.1768 54.6175 34.0867 174.0217 26 Y 4.7071 8.2863 119.8473 55.7438 39.9493 174.7905 27 E 4.3112 8.7423 122.3336 58.7088 29.8742 177.4464 28 G 4.0032 9.3755 114.1124 45.3084 0.0000 172.5639 29 Q 4.6145 7.8518 119.0927 53.8926 30.5289 175.5565 30 V 4.1507 8.4779 124.3155 63.4296 32.3104 175.3073 31 V 4.6665 8.9067 119.3101 59.9538 36.6497 174.2951 32 R 4.7451 8.3835 120.3238 54.2556 32.5927 175.8237 33 A 4.1228 8.9019 125.2785 53.6520 18.1611 176.8504 34 G 4.1478 9.2627 112.0159 45.8389 0.0000 174.4097 35 N 4.2667 8.5803 117.4811 54.1603 39.4507 174.4946 36 I 4.5932 8.3912 123.3870 60.5536 38.9514 174.9508 37 L 4.6564 9.2252 126.9339 55.4594 44.9346 176.7209 38 V 4.6936 7.4808 117.3021 61.5339 35.2593 173.0587 39 R 5.1354 8.7271 126.7278 54.4249 32.9120 174.6878 40 Q 4.7203 8.4420 119.7836 55.4897 30.7890 174.5794 41 R 4.1108 9.1026 122.0257 58.8220 31.4538 178.0173 42 G 3.4622 7.2997 108.8706 45.9626 0.0000 174.0133 43 T 4.3262 7.7733 119.3451 62.3616 67.6033 176.0724 44 R 3.8728 7.3236 120.7817 56.8364 30.3458 176.3901 45 F 4.7830 8.9688 115.7685 55.4965 41.2510 175.4902 46 K 4.6006 8.5629 123.0954 53.8267 34.5902 174.0127 47 P 4.4310 0.0000 0.0000 62.9272 31.7116 176.2189 48 G 4.0288 8.5717 113.3529 45.0720 0.0000 173.4604 49 K 3.9109 8.8886 123.2558 57.1163 33.4156 177.0558 50 N 4.0951 9.0378 124.3186 53.5795 34.8916 175.4442 51 V 4.2622 7.2466 116.9010 61.6065 34.8042 175.3443 52 G 3.1406 7.8190 116.6363 45.6748 0.0000 171.6429 53 M 5.7071 7.5944 119.2989 55.1968 34.2632 174.7786 54 G 3.9305 9.2574 115.9377 44.9408 0.0000 173.7864 55 R 3.7316 8.2405 118.4095 58.8756 30.3511 177.9757 56 D 4.7563 7.8300 116.4640 53.2346 40.0065 177.0207 57 F 3.8452 7.8261 115.0532 59.7009 37.3885 175.3853 58 T 4.4399 7.6519 117.9428 63.5854 69.4314 173.7072 59 L 5.4550 9.0518 126.5460 52.9572 43.9265 175.6467 60 F 5.3497 7.8551 115.6228 55.0511 41.7268 173.3059 61 A 4.2816 9.3261 123.2251 52.7078 18.7436 178.1297 62 L 4.5856 8.4138 120.5450 55.3035 43.2505 176.6480 63 V 4.5327 7.4531 109.9468 59.7160 36.3933 174.5997 64 D 4.8043 8.1714 121.7986 53.8965 40.8989 175.9228 65 G 4.1157 8.0623 110.4784 45.3798 0.0000 170.4484 66 V 4.4619 8.1871 119.8391 62.2772 32.8242 176.1781 67 V 4.4749 8.4561 127.7151 62.9345 32.9188 174.5188 68 E 5.2005 9.7551 124.7539 54.7825 32.9862 174.2801 69 F 5.3714 8.9015 119.5313 56.1758 41.4961 175.0450 70 Q 4.6631 9.3931 122.2326 54.6594 32.7601 172.7980 71 D 5.2420 8.9587 125.4011 52.0622 43.7613 176.0073 72 R 4.7453 8.9711 127.2745 56.6523 32.7708 179.1904 73 G 3.9146 7.8700 112.0903 46.3961 0.0000 178.2714 74 R 4.1923 9.1374 124.6782 58.3962 30.0453 177.1474 75 L 4.1553 8.2307 117.4164 55.3571 42.2034 176.5248 76 G 3.7525 8.5876 104.3059 44.4747 0.0000 171.9101 77 R 5.2518 7.8956 116.1444 54.8586 32.9894 175.3972 78 Y 5.6647 9.9089 119.1296 55.1855 42.5311 174.4583 79 V 4.3540 8.2136 121.6764 61.4554 34.1023 174.1053 80 H 5.2605 9.5412 123.8806 53.9324 33.4890 172.4734 81 V 4.7655 8.8059 120.2970 60.9936 33.6672 175.2933 82 R 4.2813 8.8070 126.4581 54.9176 30.4598 175.2915 83 P 4.8073 0.0000 0.0000 62.8994 31.3349 174.6964 84 L 4.6166 7.9399 115.7385 54.9337 43.1157 175.3025 85 A 4.2330 8.2432 121.2267 52.5329 19.2945 176.0714 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 M 8.30 4.28 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.85 3.41 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 *3 H 8.16 4.63 0.00 2.94 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.09 4.67 0.00 1.75 1.44 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 5 K 7.93 4.97 0.00 1.76 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 0.79 7.81 6 G 8.12 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 7 L 8.29 4.56 0.00 1.66 1.46 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.50 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 0.00 0.00 0.00 9 S 7.57 4.57 0.00 3.64 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 10 T 8.25 4.32 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 1.24 0.00 0.00 11 R 8.37 4.56 0.00 1.81 1.90 0.00 3.12 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 12 N 8.30 4.76 0.00 2.71 2.85 0.00 0.00 6.88 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 13 G 7.24 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 0.00 0.00 0.00 14 R 8.44 4.37 0.00 1.89 2.19 0.00 3.28 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 15 D 8.00 4.45 0.00 2.58 2.50 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 16 S 8.70 4.35 0.00 3.90 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 17 Q 8.62 4.17 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 18 A 8.17 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.76 4.29 0.00 1.76 1.85 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 20 R 7.76 3.70 0.00 1.92 1.95 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 L 7.28 4.28 0.00 1.64 1.64 0.94 1.12 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 22 G 8.61 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 0.00 0.00 0.00 23 V 7.96 3.74 1.73 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 0.57 0.00 0.00 0.63 0.00 0.00 24 K 8.92 4.37 0.00 1.62 1.73 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.46 7.81 25 R 7.28 4.48 0.00 1.68 1.77 0.00 3.36 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 26 Y 8.29 4.71 0.00 3.30 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 27 E 8.74 4.31 0.00 2.15 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 0.00 2.47 2.77 0.00 28 G 9.38 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 29 Q 7.85 4.61 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 30 V 8.48 4.15 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.91 4.67 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 0.99 0.00 0.00 0.98 0.00 0.00 32 R 8.38 4.75 0.00 1.93 1.84 0.00 3.15 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 33 A 8.90 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.26 4.15 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 0.00 35 N 8.58 4.27 0.00 2.85 2.81 0.00 0.00 6.52 7.17 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 36 I 8.39 4.59 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.89 0.00 0.00 37 L 9.23 4.66 0.00 1.47 1.55 0.83 0.68 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 38 V 7.48 4.69 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 0.61 0.00 0.00 0.68 0.00 0.00 39 R 8.73 5.14 0.00 1.84 1.78 0.00 3.39 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 40 Q 8.44 4.72 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 41 R 9.10 4.11 0.00 1.76 2.01 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 42 G 7.30 3.46 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 43 T 7.77 4.33 4.06 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 1.10 0.00 0.00 44 R 7.32 3.87 0.00 2.20 2.07 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 45 F 8.97 4.78 0.00 2.73 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 46 K 8.56 4.60 0.00 0.79 1.43 0.00 1.33 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 0.98 7.81 47 P 0.00 4.43 0.00 2.10 1.97 0.00 3.68 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 1.98 1.96 0.00 48 G 8.57 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 49 K 8.89 3.91 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.60 7.81 50 N 9.04 4.10 0.00 3.03 2.90 0.00 0.00 6.46 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 51 V 7.25 4.26 2.21 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 0.60 0.00 0.00 0.83 0.00 0.00 52 G 7.82 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 0.00 0.00 0.00 53 M 7.59 5.71 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 54 G 9.26 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 55 R 8.24 3.73 0.00 1.74 1.94 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 56 D 7.83 4.76 0.00 2.88 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 57 F 7.83 3.85 0.00 3.44 3.22 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 58 T 7.65 4.44 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 1.32 0.00 0.00 59 L 9.05 5.45 0.00 1.57 1.48 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.86 5.35 0.00 3.25 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 61 A 9.33 4.28 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 62 L 8.41 4.59 0.00 1.54 1.69 0.79 0.75 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 63 V 7.45 4.53 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 0.74 0.00 0.00 0.93 0.00 0.00 64 D 8.17 4.80 0.00 2.55 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 65 G 8.06 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 66 V 8.19 4.46 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 0.96 0.00 0.00 0.96 0.00 0.00 67 V 8.46 4.47 2.37 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 0.95 0.00 0.00 1.03 0.00 0.00 68 E 9.76 5.20 0.00 2.04 2.03 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 2.35 2.27 0.00 69 F 8.90 5.37 0.00 3.03 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 70 Q 9.39 4.66 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 71 D 8.96 5.24 0.00 2.72 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 72 R 8.97 4.75 0.00 1.89 1.84 0.00 3.38 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 73 G 7.87 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 74 R 9.14 4.19 0.00 1.82 2.04 0.00 3.37 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 75 L 8.23 4.16 0.00 1.78 1.86 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.59 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 0.00 0.00 0.00 77 R 7.90 5.25 0.00 1.35 1.84 0.00 2.71 0.00 0.00 2.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.00 78 Y 9.91 5.66 0.00 2.81 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 79 V 8.21 4.35 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 0.20 0.00 0.00 0.80 0.00 0.00 80 H 9.54 5.26 0.00 2.98 3.22 0.00 5.61 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 81 V 8.81 4.77 2.07 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 0.82 0.00 0.00 0.96 0.00 0.00 82 R 8.81 4.28 0.00 1.95 2.07 0.00 2.86 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 83 P 0.00 4.81 0.00 2.20 2.17 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 84 L 7.94 4.62 0.00 1.71 1.63 1.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.24 4.23 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 * Residues marked with a * may have inaccurate shift predictions.