NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6563 8.3649 120.5269 54.5456 42.0304 174.9583 3 V 4.3196 8.3634 117.1205 60.5638 32.9579 173.7224 4 S 4.8013 8.5935 115.7235 56.1675 67.0953 173.8626 5 L 3.9427 8.1266 122.0138 53.7605 42.0203 175.4062 6 P 4.1389 0.0000 0.0000 63.5125 32.0556 175.8216 7 C 4.3811 8.7351 121.9159 59.7372 29.3127 172.4528 8 I 4.9425 8.4867 124.8528 59.3966 39.4749 174.8324 9 K 4.4831 9.1362 129.8456 55.1529 33.5890 174.9849 10 I 5.0702 8.4552 128.3141 59.9886 39.0306 175.0374 11 Q 4.9072 9.1174 124.9737 54.3117 33.0393 174.6041 12 V 4.9505 7.9467 118.5839 60.7045 34.6261 173.7672 13 Q 4.6983 8.9462 120.5585 54.4461 32.7495 174.4709 14 T 5.1938 8.5684 112.3572 60.1723 72.3613 173.0338 15 R 4.7946 8.7204 121.0318 55.1845 33.8857 173.2001 16 Y 4.6968 8.9243 127.1807 57.5653 40.3277 175.3330 17 I 3.9741 8.4403 128.6854 59.1721 37.0864 175.7701 18 E 3.2913 8.1196 128.4112 58.6359 29.8367 178.8447 19 E 4.0047 7.8680 114.8185 58.3377 29.8655 176.9842 20 Q 4.3819 7.4839 116.4897 55.9278 29.4846 175.5417 21 S 4.6287 7.5651 115.1372 57.1348 65.9379 174.5806 22 N 4.7799 9.1920 120.3440 51.7157 39.7776 172.6141 23 P 3.4892 0.0000 0.0000 65.0336 32.1009 178.4440 24 E 3.9081 8.4381 115.8719 59.6541 29.3882 177.3794 25 Y 4.2411 7.8281 112.2573 57.1049 38.4285 175.5217 26 Q 3.4801 8.5379 118.4072 57.3895 26.9565 173.9233 27 R 4.9134 7.7594 117.2953 54.6423 33.4251 174.2970 28 F 5.1127 9.5595 125.9533 55.6340 41.9831 174.5367 29 V 4.8357 8.5181 123.8458 61.0574 34.4531 174.3064 30 F 5.2389 9.4017 124.4962 55.8240 43.4877 173.6943 31 A 5.3268 9.1316 123.7653 50.5279 22.3827 175.1629 32 Y 5.1710 8.6808 117.0359 55.2345 42.0370 173.8403 33 L 4.8780 9.1955 125.4991 53.4987 44.4108 174.7181 34 I 5.0087 8.2109 127.8138 59.8410 39.8735 174.8178 35 T 5.0230 8.6340 123.2109 61.8136 71.4197 173.2556 36 I 4.8829 9.1952 127.4208 59.7006 39.8371 174.5431 37 K 4.9445 9.0758 127.9654 54.6034 34.5363 175.5159 38 N 4.7795 8.9744 124.7556 52.9819 39.3265 174.3723 39 L 4.7375 8.5617 126.2894 54.7174 42.5565 177.1340 40 S 4.6943 8.5319 116.2404 57.1943 65.2202 174.2156 41 S 4.7200 8.4966 114.6161 58.1083 62.9227 173.2101 42 Q 4.8551 7.6121 117.4323 54.6415 31.5899 174.8271 43 T 4.3053 9.0024 116.2762 62.3823 68.0576 174.0010 44 V 4.8457 8.8032 121.2796 59.6888 35.8627 174.1645 45 Q 4.8088 8.7236 122.1250 54.6205 31.8366 174.1447 46 L 4.2777 8.7171 128.5133 54.0580 44.4965 175.2514 *48 S 4.5232 8.3088 116.9697 58.3013 64.9162 172.1375 49 R 5.2070 8.8264 115.1912 54.7042 33.3558 174.4583 50 R 4.6919 8.5361 120.3773 55.0036 33.6523 173.6023 51 W 5.1189 9.4515 126.7416 54.7713 32.4567 174.5282 52 L 5.1645 9.0705 126.0108 53.5352 43.4314 175.4309 53 I 4.5706 8.8398 127.9976 59.8329 39.8111 174.7484 54 T 4.9764 8.8472 124.6118 61.5675 71.0446 174.0468 55 D 4.8468 8.7082 126.7159 52.4025 40.9017 177.4446 56 A 4.1498 8.7503 121.8110 54.5092 18.3288 178.1797 57 D 4.6525 8.3394 113.9422 53.9895 41.1131 177.3802 58 G 3.8982 8.4850 108.6477 44.6262 0.0000 173.8375 59 K 4.1596 8.4267 122.8280 56.4371 33.0501 175.6149 60 Q 5.2361 8.6838 126.0875 54.5975 31.2769 174.8072 61 T 4.7499 8.9319 116.2330 60.4034 71.5615 172.3854 62 V 4.9698 8.4578 125.8713 61.1057 34.0722 174.7323 63 V 4.7144 8.8742 127.3234 61.1443 34.3958 174.0440 64 E 5.1610 8.7016 124.2847 54.5661 33.1036 174.0356 65 G 4.1317 7.5750 107.5998 46.6047 0.0000 171.2179 66 D 4.9573 8.3864 119.6333 53.4500 42.4692 178.3729 67 G 3.8815 8.4372 111.4896 45.0732 0.0000 172.9650 68 V 4.2842 7.7334 110.5741 60.7393 34.3799 176.6184 69 V 3.4637 9.7479 116.0580 62.3250 29.1251 174.1584 70 G 4.0207 8.8217 106.6702 45.1019 0.0000 173.8725 71 E 4.7013 8.0914 118.6106 54.5908 32.8543 175.0890 72 Q 4.8201 8.2909 120.3839 52.1681 28.6181 172.7307 73 P 4.1119 0.0000 0.0000 62.4433 32.8371 175.4491 74 R 4.7370 8.3587 123.6507 55.2162 31.2879 175.1976 75 I 4.5639 8.9314 127.5861 59.3521 40.2172 175.8054 76 K 4.6717 8.7001 126.2307 55.3024 33.8274 176.4879 77 A 4.1316 8.5235 124.6835 53.9275 18.6523 177.1044 78 N 4.2226 9.1324 118.3724 54.1757 37.1988 173.8007 79 D 5.0988 8.0855 119.2893 52.9628 43.7661 174.8477 80 E 5.2746 8.4983 116.1128 55.1909 33.1378 173.9648 81 Y 4.8035 9.3205 121.9763 56.1512 41.9951 174.2304 82 T 5.2162 7.7569 122.2588 61.9294 71.5322 172.7039 83 Y 5.0127 8.7889 122.8272 55.6072 42.1560 173.6790 84 S 4.8085 8.5205 113.3057 57.2161 66.5587 173.5295 85 S 4.2999 7.6845 113.5889 58.5490 65.5243 172.7675 86 G 4.4923 8.2070 103.4456 46.1502 0.0000 172.5911 87 T 4.9953 9.3267 114.6978 60.4750 71.3417 172.1729 88 A 5.4427 8.7348 128.1169 50.3284 21.6535 175.5228 89 L 5.0622 9.6494 120.8107 52.8522 46.1840 177.4314 90 D 5.2713 9.2766 118.4898 55.5537 41.2808 176.5556 91 T 4.7564 7.6327 109.1042 59.0233 72.0180 172.5457 92 P 3.7875 0.0000 0.0000 64.1660 32.1660 175.6841 93 V 4.6504 7.0301 119.2410 62.0258 34.9440 174.8954 94 G 3.9205 8.3169 111.6434 46.4969 0.0000 170.7935 95 V 5.0903 8.5702 120.4415 60.7697 35.7508 175.2163 *97 Q 4.3201 8.5687 117.7533 55.9741 30.2939 175.1010 98 G 3.4469 7.5243 104.6761 46.0746 0.0000 171.1982 99 Q 4.7021 7.3293 117.3036 54.8367 32.4862 173.6796 100 Y 5.1242 8.4875 119.7347 56.6564 40.1310 174.8850 101 L 4.7524 8.3559 125.5698 53.5234 44.4464 175.4807 *103 I 4.3355 8.0040 114.9374 60.9972 39.4334 175.5965 104 D 5.3548 9.2556 124.3350 52.4293 41.6214 176.6583 105 E 3.9579 8.6385 117.3139 59.4953 29.5258 177.7188 106 Q 4.0941 8.2190 117.3768 56.1091 29.3513 175.9500 107 G 3.8865 8.2416 104.8594 46.7719 0.0000 173.0479 108 E 4.3613 8.6330 121.3423 55.2607 30.8650 176.2656 109 S 4.7778 8.6825 122.7029 58.8827 63.7474 173.5193 110 F 5.0210 8.2218 116.7938 56.0960 40.5566 173.3517 111 T 4.5807 8.6322 118.1859 62.4174 70.0265 174.0514 112 V 4.4691 8.9121 126.4678 61.1880 33.9153 174.1491 113 E 4.5485 8.8298 127.4074 55.5776 30.9575 175.7960 114 I 4.2823 8.6126 125.8943 59.6220 38.4108 175.4499 115 E 4.4474 8.7926 126.7983 55.3108 30.4345 175.3983 116 P 4.3433 0.0000 0.0000 63.2002 32.0690 175.8047 117 F 5.0632 7.9298 117.9419 55.1144 41.7113 173.7095 118 R 4.8469 8.6922 118.5989 54.9501 32.0056 175.5630 119 L 4.7242 8.6871 122.4417 52.9799 44.1591 175.5179 120 A 5.0897 8.5523 123.6680 50.3127 22.0472 176.1273 121 V 3.3596 8.9569 122.6455 61.1893 32.0153 174.7088 122 P 4.4668 0.0000 0.0000 63.3594 32.2191 177.1311 123 H 4.8702 8.1103 117.2572 54.2451 28.4737 173.5936 124 V 3.8048 7.6043 122.8175 63.8870 31.3716 175.0385 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 8.36 4.66 0.00 2.63 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 3 V 8.36 4.32 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 0.70 0.00 0.00 0.92 0.00 0.00 4 S 8.59 4.80 0.00 3.76 3.69 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 5 L 8.13 3.94 0.00 1.53 1.23 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.14 0.00 1.68 1.88 0.00 2.54 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.97 0.00 7 C 8.74 4.38 0.00 2.89 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 8 I 8.49 4.94 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.13 1.04 0.00 0.00 9 K 9.14 4.48 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 10 I 8.46 5.07 1.97 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 1.13 0.00 0.00 11 Q 9.12 4.91 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 12 V 7.95 4.95 1.62 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 0.11 0.00 0.00 0.40 0.00 0.00 13 Q 8.95 4.70 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 14 T 8.57 5.19 4.49 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 1.32 0.00 0.00 15 R 8.72 4.79 0.00 1.94 1.80 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 16 Y 8.92 4.70 0.00 3.08 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 17 I 8.44 3.97 1.69 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 1.02 1.08 0.78 0.00 0.00 18 E 8.12 3.29 0.00 1.90 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 2.33 2.35 0.00 19 E 7.87 4.00 0.00 2.03 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 2.18 2.20 0.00 20 Q 7.48 4.38 0.00 1.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 21 S 7.57 4.63 0.00 3.55 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 22 N 9.19 4.78 0.00 2.55 2.56 0.00 0.00 7.57 5.45 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 23 P 0.00 3.49 0.00 2.25 2.29 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 24 E 8.44 3.91 0.00 2.30 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 2.35 2.40 0.00 25 Y 7.83 4.24 0.00 2.89 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 26 Q 8.54 3.48 0.00 2.23 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 27 R 7.76 4.91 0.00 1.83 1.66 0.00 2.95 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 28 F 9.56 5.11 0.00 3.27 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 29 V 8.52 4.84 1.98 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 0.93 0.00 0.00 0.89 0.00 0.00 30 F 9.40 5.24 0.00 3.03 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 31 A 9.13 5.33 1.19 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 0.00 0.00 0.00 32 Y 8.68 5.17 0.00 2.93 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 33 L 9.20 4.88 0.00 1.65 1.50 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.21 5.01 1.41 0.00 0.00 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 1.32 0.60 1.21 0.00 0.00 35 T 8.63 5.02 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 1.27 0.00 0.00 36 I 9.20 4.88 2.03 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 1.39 0.91 0.97 0.00 0.00 37 K 9.08 4.94 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.41 7.81 38 N 8.97 4.78 0.00 2.84 2.96 0.00 0.00 6.74 6.58 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 39 L 8.56 4.74 0.00 1.69 1.67 0.95 0.70 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 40 S 8.53 4.69 0.00 3.91 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 41 S 8.50 4.72 0.00 3.98 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 42 Q 7.61 4.86 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 43 T 9.00 4.31 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 1.30 0.00 0.00 44 V 8.80 4.85 2.29 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 0.89 0.00 0.00 1.05 0.00 0.00 45 Q 8.72 4.81 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 46 L 8.72 4.28 0.00 1.46 1.19 0.23 0.71 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 *48 S 8.31 4.52 0.00 4.06 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 0.00 49 R 8.83 5.21 0.00 1.65 2.21 0.00 3.10 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 50 R 8.54 4.69 0.00 1.77 1.74 0.00 3.03 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 51 W 9.45 5.12 0.00 3.44 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 52 L 9.07 5.16 0.00 1.58 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.84 4.57 1.86 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 1.08 0.37 0.83 0.00 0.00 54 T 8.85 4.98 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 1.17 0.00 0.00 55 D 8.71 4.85 0.00 2.83 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 56 A 8.75 4.15 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 57 D 8.34 4.65 0.00 2.79 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 58 G 8.49 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 59 K 8.43 4.16 0.00 1.87 2.05 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 60 Q 8.68 5.24 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 61 T 8.93 4.75 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 1.24 0.00 0.00 62 V 8.46 4.97 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 0.95 0.00 0.00 63 V 8.87 4.71 2.27 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 1.19 0.00 0.00 1.01 0.00 0.00 64 E 8.70 5.16 0.00 2.07 1.90 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 2.22 2.35 0.00 65 G 7.57 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 66 D 8.39 4.96 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 67 G 8.44 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 68 V 7.73 4.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.54 0.00 0.00 69 V 9.75 3.46 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 0.82 0.00 0.00 0.97 0.00 0.00 70 G 8.82 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 0.00 0.00 0.00 71 E 8.09 4.70 0.00 1.82 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 2.19 2.37 0.00 72 Q 8.29 4.82 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 73 P 0.00 4.11 0.00 1.45 0.86 0.00 3.34 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.00 74 R 8.36 4.74 0.00 1.78 1.84 0.00 3.45 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 75 I 8.93 4.56 1.90 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 1.17 0.86 0.99 0.00 0.00 76 K 8.70 4.67 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81 77 A 8.52 4.13 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 78 N 9.13 4.22 0.00 2.83 2.92 0.00 0.00 6.95 8.09 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 79 D 8.09 5.10 0.00 2.91 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 0.00 0.00 0.00 0.00 80 E 8.50 5.27 0.00 2.08 1.90 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 2.19 2.31 0.00 81 Y 9.32 4.80 0.00 3.10 2.93 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 82 T 7.76 5.22 4.08 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 1.18 0.00 0.00 83 Y 8.79 5.01 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 84 S 8.52 4.81 0.00 3.70 3.69 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 85 S 7.68 4.30 0.00 3.95 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 86 G 8.21 4.49 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 0.00 87 T 9.33 5.00 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 1.38 0.00 0.00 88 A 8.73 5.44 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 89 L 9.65 5.06 0.00 1.93 1.65 0.72 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.28 5.27 0.00 2.75 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 91 T 7.63 4.76 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 1.24 0.00 0.00 92 P 0.00 3.79 0.00 1.72 1.20 0.00 3.35 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 93 V 7.03 4.65 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 0.65 0.00 0.00 0.78 0.00 0.00 94 G 8.32 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 95 V 8.57 5.09 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 1.00 0.00 0.00 0.82 0.00 0.00 *97 Q 8.57 4.32 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 98 G 7.52 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 0.00 0.00 0.00 99 Q 7.33 4.70 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 100 Y 8.49 5.12 0.00 2.81 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 0.00 101 L 8.36 4.75 0.00 1.60 1.48 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *103 I 8.00 4.34 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.89 0.00 0.00 104 D 9.26 5.35 0.00 2.91 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 0.00 105 E 8.64 3.96 0.00 1.99 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 2.32 2.59 0.00 106 Q 8.22 4.09 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 107 G 8.24 3.89 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 0.00 0.00 0.00 108 E 8.63 4.36 0.00 2.15 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 2.33 2.38 0.00 109 S 8.68 4.78 0.00 3.82 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 0.00 110 F 8.22 5.02 0.00 2.96 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 0.00 111 T 8.63 4.58 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 1.18 0.00 0.00 112 V 8.91 4.47 2.20 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 1.09 0.00 0.00 1.10 0.00 0.00 113 E 8.83 4.55 0.00 1.92 1.93 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 2.27 2.27 0.00 114 I 8.61 4.28 1.64 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.22 1.19 0.00 0.00 115 E 8.79 4.45 0.00 1.92 1.92 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 2.35 2.32 0.00 116 P 0.00 4.34 0.00 1.90 1.92 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 117 F 7.93 5.06 0.00 3.00 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 0.00 118 R 8.69 4.85 0.00 1.72 1.82 0.00 3.11 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 119 L 8.69 4.72 0.00 0.80 0.38 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.55 5.09 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 0.00 121 V 8.96 3.36 1.57 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 0.56 0.00 0.00 0.16 0.00 0.00 122 P 0.00 4.47 0.00 2.10 2.07 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 123 H 8.11 4.87 0.00 3.17 3.26 0.00 5.71 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.60 3.80 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 0.77 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.