NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 V 4.0959 8.0393 117.9146 60.6864 32.4305 174.6263 14 R 3.1710 7.6514 121.7058 52.2443 30.4872 175.2242 15 P 4.0990 0.0000 0.0000 62.6371 32.7462 177.1117 16 I 4.0472 7.8487 121.0339 60.7632 37.8587 175.7197 17 H 4.3472 9.1911 126.1701 55.1600 30.5879 174.1626 18 P 4.6044 0.0000 0.0000 66.0570 31.0648 179.1985 19 G 3.7321 8.5022 103.8877 47.8760 0.0000 175.4785 20 E 4.0288 8.2035 120.5939 59.0979 29.3933 179.5981 21 V 3.6419 7.7344 117.9911 65.9135 31.7033 177.9076 22 I 3.6982 8.2610 119.5728 64.4759 37.0265 178.1062 23 A 3.9420 8.1893 121.5928 55.2951 18.1305 179.2096 24 D 4.2480 8.1011 116.3612 57.4396 41.2846 178.4164 25 I 3.6611 7.8979 120.3955 64.5646 37.1421 178.4825 26 L 3.7980 7.9177 119.7393 57.5535 41.0129 179.1466 27 D 4.2648 8.0701 118.1332 57.4707 40.9794 178.0670 28 D 4.3531 8.0003 118.3283 57.2494 40.9146 178.3081 29 L 4.1037 7.9915 117.7886 54.7855 42.4178 176.3643 30 D 4.4010 7.6484 117.5455 55.5220 38.5371 172.9421 31 I 4.6347 7.6387 110.2368 58.5578 41.1382 174.8424 32 N 4.8839 8.8154 119.8790 51.4590 40.7108 175.9583 33 T 3.9548 8.2661 109.9230 64.9400 68.8025 176.2978 34 A 4.0720 8.0482 123.1610 54.9461 18.5637 179.2035 35 N 4.3308 9.0148 115.5377 56.4798 38.6160 177.4713 36 F 4.4497 8.3797 121.9124 61.1209 39.4738 177.1910 37 A 3.8554 8.6122 121.0418 54.9369 17.8883 179.2391 38 E 3.8347 8.0180 117.1048 59.4160 29.8044 178.7676 39 I 3.7960 7.3297 118.4143 64.5086 37.2994 178.2110 40 L 3.9794 7.6011 118.1554 55.1166 41.6420 177.2041 41 G 3.7010 8.1637 106.3178 46.8249 0.0000 173.1012 42 V 4.4796 7.3423 110.7770 58.1362 36.0425 176.1664 43 S 4.4299 8.1485 115.5040 57.9338 65.0123 174.6151 44 N 4.2757 8.5690 120.7296 56.8592 38.6659 176.6019 45 Q 3.9591 8.1089 120.4279 59.7086 29.1052 178.4893 46 T 3.8678 7.9677 116.4400 66.8005 68.4240 176.7578 47 I 3.7526 7.6716 121.3216 64.3979 37.1277 178.3414 48 Q 3.9819 8.5124 120.8473 59.1257 28.8067 178.0867 49 E 4.0021 8.6139 120.2824 59.1412 29.4634 179.4984 50 V 3.9188 7.7387 119.7194 65.6295 31.4362 178.0725 51 I 3.9472 7.7627 118.4303 64.3959 37.0729 177.3237 52 N 4.7157 8.1951 114.1047 52.6941 38.6012 175.7082 53 G 3.6780 7.6710 108.2932 46.5036 0.0000 174.8718 54 Q 4.3427 8.1618 118.8000 56.0774 29.1631 176.1162 55 R 4.6634 7.5858 117.8099 54.3465 33.1986 174.3648 56 S 4.5836 8.5573 120.4265 57.7537 63.8430 174.0963 57 I 3.7780 8.8626 125.2709 61.7724 37.1541 177.2670 58 T 4.4288 8.2311 116.2789 60.3346 71.6595 175.8639 59 V 3.5710 8.1678 120.0105 66.1275 31.4707 177.0983 60 D 4.3190 8.1249 117.1901 57.6977 40.9557 178.3619 61 I 3.6321 7.8690 119.8211 64.1938 36.9623 178.2896 62 A 3.9837 8.3637 122.0596 55.1873 18.2059 179.7492 63 I 3.6707 8.1200 118.6758 64.5975 37.0902 178.9455 64 R 3.8471 7.9704 118.8509 59.0816 29.7960 179.0458 65 L 3.8032 8.0595 119.2963 57.6065 41.4873 179.7855 66 G 3.7803 8.3209 105.8713 47.8672 0.0000 175.9507 67 K 3.9848 7.9849 119.6959 59.1000 32.2254 179.1252 68 A 4.1229 8.0978 120.0927 54.7400 18.3891 178.9280 69 L 4.4986 8.2400 115.7099 54.2035 42.3828 177.2835 70 G 3.9265 8.1947 106.7329 46.8157 0.0000 173.7414 71 N 4.8266 8.4176 113.7902 51.3628 38.1846 174.8866 72 G 4.2009 8.2586 104.9542 45.5129 0.0000 172.7012 73 P 4.7970 0.0000 0.0000 65.3517 31.5861 178.9120 74 R 3.9499 7.9855 117.9402 58.8956 30.0088 178.0696 75 L 3.7473 7.9694 119.7661 58.1522 41.8397 179.1648 76 W 4.0946 7.8267 117.9196 59.7699 29.2066 178.4929 77 L 4.1069 8.2347 118.9808 57.7893 41.0312 179.4002 78 N 4.3196 8.7370 116.8326 56.1739 38.6106 177.1800 79 L 3.8992 7.8892 120.4227 58.0596 41.6989 179.5802 80 Q 3.9295 8.0758 119.1629 59.1884 28.9539 177.8183 81 Q 3.9640 8.5362 121.0734 59.1851 29.0524 178.4985 82 K 3.9574 8.1409 119.5453 59.2563 32.0395 179.4870 83 V 3.3405 7.6225 118.2122 66.0301 31.4798 177.7671 84 D 4.4580 8.2700 118.7323 57.4341 40.7124 178.6744 85 L 4.0084 8.2068 120.9768 57.7516 42.0035 178.7285 86 W 4.1007 8.1908 128.3937 60.8602 30.6314 177.6691 87 Y 4.4962 8.2336 116.4399 60.8890 37.2690 178.2957 88 A 4.0477 8.1311 122.0135 55.2128 18.5619 179.7388 89 L 3.9576 8.4306 117.9372 57.9110 41.6343 179.7734 90 Q 3.7517 8.0645 118.4080 58.8310 28.5280 178.7520 91 S 4.0710 7.9455 114.3041 61.5234 62.4606 175.7019 92 H 4.2852 8.3043 121.1227 58.9728 29.5158 177.2637 93 K 4.0524 8.2732 124.0435 60.1352 32.1090 179.2914 94 E 3.9544 8.2405 118.6457 61.0757 29.6255 180.5270 95 E 3.9891 8.1741 120.4623 59.3646 29.4934 178.5190 96 Y 3.8591 7.7798 115.3553 60.5564 38.0982 177.3716 97 E 4.1972 8.5162 121.8429 60.1134 29.6159 179.7392 98 Q 4.1924 7.8723 119.7069 60.0203 28.2140 181.5235 99 V 3.8566 7.0750 116.4557 62.4806 31.6182 175.4953 *101 T 4.0844 7.4468 112.5184 62.8611 69.4510 173.4151 102 L 4.5198 8.3674 125.8895 53.6662 43.2504 177.0955 103 V 3.9570 8.2106 114.3611 61.5735 31.7320 175.9496 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 13 V 8.04 4.10 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 0.96 0.00 0.00 0.93 0.00 0.00 14 R 7.65 3.17 0.00 1.24 1.51 0.00 3.12 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 15 P 0.00 4.10 0.00 1.93 1.80 0.00 2.20 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 1.31 1.37 0.00 16 I 7.85 4.05 1.79 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 1.22 0.44 0.88 0.00 0.00 17 H 9.19 4.35 0.00 3.22 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.60 0.00 2.32 2.44 0.00 3.16 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 19 G 8.50 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 20 E 8.20 4.03 0.00 2.25 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 2.34 2.35 0.00 21 V 7.73 3.64 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 1.20 0.00 0.00 0.92 0.00 0.00 22 I 8.26 3.70 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.88 0.00 0.00 23 A 8.19 3.94 1.37 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 0.00 0.00 24 D 8.10 4.25 0.00 2.93 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 25 I 7.90 3.66 1.93 0.00 0.00 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 1.57 0.62 0.79 0.00 0.00 26 L 7.92 3.80 0.00 1.71 1.80 0.81 -0.03 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 27 D 8.07 4.26 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 28 D 8.00 4.35 0.00 2.81 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 29 L 7.99 4.10 0.00 1.69 1.69 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.65 4.40 0.00 2.81 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 31 I 7.64 4.63 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.98 0.00 0.00 32 N 8.82 4.88 0.00 3.00 3.00 0.00 0.00 7.11 7.00 0.00 0.00 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 T 8.27 3.95 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 1.34 0.00 0.00 34 A 8.05 4.07 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 35 N 9.01 4.33 0.00 2.96 2.93 0.00 0.00 6.65 7.87 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 36 F 8.38 4.45 0.00 3.03 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 37 A 8.61 3.86 1.44 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 0.00 0.00 0.00 38 E 8.02 3.83 0.00 2.10 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 2.31 2.33 0.00 39 I 7.33 3.80 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.85 0.00 0.00 40 L 7.60 3.98 0.00 1.31 1.45 0.29 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.16 3.70 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 0.00 0.00 0.00 42 V 7.34 4.48 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 0.72 0.00 0.00 0.83 0.00 0.00 43 S 8.15 4.43 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 44 N 8.57 4.28 0.00 2.86 2.86 0.00 0.00 6.51 7.12 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 45 Q 8.11 3.96 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 46 T 7.97 3.87 4.38 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 1.19 0.00 0.00 47 I 7.67 3.75 2.04 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 1.51 0.85 1.05 0.00 0.00 48 Q 8.51 3.98 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 49 E 8.61 4.00 0.00 2.17 2.00 0.00 0.00 0.00 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 2.47 0.00 50 V 7.74 3.92 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 1.33 0.00 0.00 1.03 0.00 0.00 51 I 7.76 3.95 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.84 0.92 0.00 0.00 52 N 8.20 4.72 0.00 2.80 2.85 0.00 0.00 7.07 7.28 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 53 G 7.67 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 0.00 0.00 0.00 54 Q 8.16 4.34 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 55 R 7.59 4.66 0.00 1.80 1.63 0.00 3.33 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 1.61 1.65 0.00 56 S 8.56 4.58 0.00 3.95 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 57 I 8.86 3.78 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.98 0.00 0.00 58 T 8.23 4.43 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 59 V 8.17 3.57 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 1.12 0.00 0.00 0.95 0.00 0.00 60 D 8.12 4.32 0.00 2.73 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 61 I 7.87 3.63 1.83 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 1.38 0.50 0.78 0.00 0.00 62 A 8.36 3.98 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.12 3.67 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 0.90 0.00 0.00 64 R 7.97 3.85 0.00 1.85 1.80 0.00 3.02 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 65 L 8.06 3.80 0.00 1.13 0.63 0.10 0.37 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 66 G 8.32 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.98 0.00 1.72 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.62 7.81 68 A 8.10 4.12 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 69 L 8.24 4.50 0.00 2.08 1.92 1.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 70 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 71 N 8.42 4.83 0.00 2.81 2.94 0.00 0.00 6.30 7.00 0.00 0.00 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 8.26 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 0.00 0.00 0.00 0.00 73 P 0.00 4.80 0.00 2.35 2.38 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 74 R 7.99 3.95 0.00 1.88 2.01 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 75 L 7.97 3.75 0.00 1.50 1.24 0.65 -0.27 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 76 W 7.83 4.09 0.00 3.68 3.31 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 77 L 8.23 4.11 0.00 1.75 1.76 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.74 4.32 0.00 2.81 2.81 0.00 0.00 6.98 6.67 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 79 L 7.89 3.90 0.00 1.87 1.70 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.08 3.93 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 81 Q 8.54 3.96 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 82 K 8.14 3.96 0.00 1.95 1.79 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 83 V 7.62 3.34 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 0.95 0.00 0.00 0.87 0.00 0.00 84 D 8.27 4.46 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 85 L 8.21 4.01 0.00 1.77 1.83 0.93 1.18 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 86 W 8.19 4.10 0.00 3.39 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 87 Y 8.23 4.50 0.00 3.18 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 88 A 8.13 4.05 1.43 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 89 L 8.43 3.96 0.00 1.65 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.06 3.75 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 91 S 7.95 4.07 0.00 4.03 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 92 H 8.30 4.29 0.00 3.37 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.27 4.05 0.00 2.03 1.91 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 94 E 8.24 3.95 0.00 2.02 1.95 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 2.24 2.19 0.00 95 E 8.17 3.99 0.00 2.03 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 0.00 1.62 2.09 0.00 96 Y 7.78 3.86 0.00 3.07 2.99 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 97 E 8.52 4.20 0.00 2.10 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 2.36 2.53 0.00 98 Q 7.87 4.19 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.58 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 99 V 7.07 3.86 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 0.97 0.00 0.00 0.70 0.00 0.00 *101 T 7.45 4.08 4.36 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 1.20 0.00 0.00 102 L 8.37 4.52 0.00 1.63 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.21 3.96 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 0.67 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.