NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2003 S 4.4558 8.1927 115.2952 57.8777 63.9283 174.1358 2004 F 3.9932 8.9426 129.4004 61.1223 39.3355 173.9122 2005 E 3.7195 9.2030 119.0457 59.8782 29.6842 179.0960 2006 Q 3.9349 7.9797 116.9175 58.6330 28.8186 178.4243 2007 A 3.9251 8.0894 122.2128 55.1363 18.4226 179.5108 2008 I 3.3095 7.6174 118.6252 64.6576 37.1114 178.3612 2009 T 3.7032 7.6226 116.3051 67.1318 68.1849 176.2789 2010 Q 3.9473 7.7710 119.4821 58.7798 29.2260 177.5248 2011 L 4.1237 7.8125 121.5376 58.4627 42.1630 179.0206 2012 F 4.1031 8.8816 117.8062 60.8220 38.9298 177.7913 2013 Q 4.1806 8.4107 117.6042 58.8428 28.2662 178.3867 2014 Q 4.1225 8.1493 117.8800 57.5070 28.9853 177.2696 2015 L 4.1065 7.5985 118.1359 53.6421 42.1521 176.4193 2016 S 3.8146 7.5032 112.0519 59.1625 61.9822 170.9336 2017 L 4.5140 7.9277 120.8425 53.5320 42.8940 176.7663 2018 S 4.2962 8.5059 118.4318 57.7686 63.5629 174.0356 2019 I 3.9041 8.5419 126.7110 60.7196 35.9835 174.3182 2020 P 4.6244 0.0000 0.0000 62.3170 32.0798 177.1291 2021 D 4.4710 8.6953 119.1683 56.7760 40.9336 176.8098 2022 T 4.4430 7.1619 113.6570 61.8850 69.3653 174.9409 2023 I 4.0506 8.0412 129.2420 59.2092 35.7887 175.5061 2024 E 4.2453 8.1967 122.7186 55.3453 30.2740 176.4005 2025 P 4.2418 0.0000 0.0000 64.6062 31.5242 176.9165 2026 V 4.5632 7.5427 116.9543 61.1748 33.3176 175.1364 2027 I 4.3881 9.3273 130.2168 60.0928 39.0513 175.1133 2028 G 4.2166 8.6855 114.1381 44.9107 0.0000 172.5700 2029 V 4.9547 8.8883 124.4757 60.9611 35.2528 173.7923 2030 K 4.8225 8.8514 129.5539 55.0504 34.0406 175.0283 2031 V 4.4921 9.2491 128.9200 60.6654 32.8364 175.8401 2032 G 3.8193 8.5966 120.4342 47.0860 0.0000 174.0872 2033 E 3.9201 8.5996 122.4695 56.2635 29.9840 175.9894 2034 F 4.5406 8.3291 120.5516 55.8476 39.7334 174.5293 2035 A 4.4536 8.5264 128.7350 51.4842 18.9533 176.0693 2036 C 5.0181 9.1383 120.5767 58.5003 31.8219 172.9430 2037 H 5.2152 8.6850 118.2190 54.0058 31.6058 173.3128 2038 I 4.8953 8.7657 123.0283 59.9884 40.5415 174.5702 2039 T 4.6818 8.9139 119.9196 61.3747 71.7208 171.2923 2040 E 4.8773 7.7300 125.3501 55.1635 30.7327 174.6931 2041 H 4.4367 8.6062 123.3933 55.1438 33.5554 172.2935 2042 P 4.4414 0.0000 0.0000 61.7402 32.7983 175.3564 2043 V 3.8689 8.0882 117.4559 65.0453 31.7182 176.9551 2044 G 4.0260 10.5063 115.2871 45.3839 0.0000 172.5831 2045 Q 5.0589 8.0454 118.8624 54.0241 32.5634 174.5924 2046 I 4.7689 9.0197 125.1339 60.3370 38.8668 175.3571 2047 L 5.3550 8.9668 130.8139 52.7575 45.0030 174.7647 *2049 F 5.2959 8.2755 113.5415 57.4754 39.6160 173.6846 2050 T 4.9316 9.1413 113.2920 61.0287 71.5421 172.7407 2051 L 4.9639 8.5367 125.6930 52.5598 41.9093 174.9077 2052 P 4.5598 0.0000 0.0000 62.0265 32.4469 176.2018 2053 S 4.6295 8.3979 114.2787 56.5826 63.5917 174.1477 2054 L 4.3122 8.3067 125.3184 53.9416 42.6518 175.9184 2055 D 4.6636 8.4253 120.0626 53.0439 41.9154 176.4141 2056 N 4.2269 9.1054 125.9969 56.8539 38.8841 175.1768 2057 N 4.5264 9.8097 114.2314 54.3118 38.0057 174.9953 2058 D 4.3310 7.8559 119.9841 54.6772 41.0325 176.5991 2059 E 4.5428 8.4604 124.7009 54.5016 33.0206 176.8808 2060 K 3.9651 8.3553 118.4614 60.5108 32.4913 178.6662 2061 E 3.9240 8.1921 119.4141 59.5271 29.2075 179.3091 2062 T 3.8735 7.8302 113.5582 66.6688 68.9591 176.2552 2063 L 4.2224 8.2315 121.1231 57.9359 41.7529 179.6472 2064 L 4.1191 8.5079 119.0008 57.5820 41.2243 179.6455 2065 S 4.1571 8.2634 115.3580 61.6619 62.4479 176.1233 2066 H 4.2152 8.0130 117.4080 57.8088 28.4674 176.3099 2067 N 4.6554 7.6278 116.5396 52.0967 39.1292 175.1211 2068 I 3.7227 6.6888 121.5385 60.1309 38.6892 175.6606 2069 F 4.4138 8.0180 121.2085 57.3684 38.2134 174.4554 2070 S 4.6517 8.0872 114.7461 57.6286 65.4132 173.5240 2071 Q 4.0309 8.6681 117.8065 57.9520 28.9353 175.6249 2072 D 4.6773 8.3562 119.3467 52.4878 40.9837 176.5786 2073 I 4.0365 8.3279 119.9181 62.1201 37.8847 176.3578 2074 L 4.4220 8.0763 120.5290 54.3019 42.0398 176.5981 2075 K 3.8687 7.7241 121.7035 56.0099 32.3853 174.6431 2076 P 4.5350 0.0000 0.0000 62.8038 32.6760 175.3345 2077 I 4.1868 8.0505 122.2909 59.5068 39.2128 174.4536 2078 L 4.8779 8.3846 129.3327 54.3224 43.2846 175.4792 2079 S 4.9707 9.5770 120.1574 56.8504 67.4032 171.9986 2080 W 5.1779 8.7701 128.4679 55.7302 33.4523 174.0815 2081 D 4.6593 8.7570 127.7504 52.8438 40.8565 176.8419 2082 E 4.2684 8.9866 126.8596 59.1520 30.1254 179.2479 2083 V 3.6889 8.0242 118.5395 65.8743 31.5426 177.3923 2084 G 3.4818 8.1442 105.7700 45.5231 0.0000 173.1336 2085 G 3.9021 8.6313 108.1115 45.9225 0.0000 172.5272 2086 H 3.7732 6.3089 111.9612 52.9853 31.9702 172.0911 2087 P 4.6852 0.0000 0.0000 62.8772 32.5665 175.8538 2088 V 4.6168 8.9771 120.6748 61.4142 35.1628 173.3271 2089 L 5.3943 9.0777 130.4577 53.2058 44.0838 175.0498 2090 W 5.8616 8.9762 122.6822 55.4184 31.9238 173.3077 2091 N 5.1767 8.6477 117.0960 52.4094 40.9090 172.4289 2092 R 5.4856 8.7165 115.0853 56.9109 32.9196 173.6858 2093 Q 4.7695 8.3458 121.8259 54.1303 32.2401 171.7543 2094 P 4.8112 0.0000 0.0000 62.6173 31.4740 176.4378 2095 L 4.1026 9.1519 127.2529 58.2085 42.1534 178.3703 2096 N 4.6602 8.1435 113.0397 54.3383 37.3626 175.1710 2097 S 4.6985 7.6417 113.4070 57.9276 64.3468 174.2878 2098 L 4.0824 7.9231 120.9178 54.9533 41.8302 176.2790 2099 D 4.8667 8.3963 122.1726 51.5048 41.4562 176.3926 2100 N 4.4744 8.6255 115.6703 55.3912 38.6825 175.7425 2101 N 4.9386 8.3332 114.0429 52.9369 40.1622 176.6491 2102 S 4.1351 8.5496 116.2228 61.7412 62.8435 176.4985 2103 L 4.0045 7.8971 120.9791 58.0399 41.4876 178.7682 2104 Y 3.9690 8.0669 118.9434 61.0468 38.4841 178.2305 2105 T 3.9907 7.8921 115.9487 66.3980 68.6334 176.2581 2106 Q 4.1051 8.0486 120.9060 59.0801 29.4192 177.7843 2107 L 4.1184 8.0962 121.5554 58.0303 41.9963 179.3694 2108 E 3.9964 7.7844 116.5375 56.6258 29.3399 177.9690 *2110 L 4.1495 7.8798 120.9249 54.6010 44.1819 178.9641 2111 V 3.1925 7.8589 117.5809 66.0768 31.4454 177.8076 2112 Q 4.4730 7.7170 119.6240 58.3909 28.2930 179.4507 2113 G 3.5794 7.9290 104.9206 47.7307 0.0000 175.1332 2114 A 4.0643 7.6718 123.0618 54.8186 18.2136 179.3943 2115 E 3.9266 8.2111 117.5583 59.8506 29.3234 179.9361 2116 R 4.0125 7.8613 116.7070 58.6952 30.1291 178.3735 2117 L 4.1273 7.5257 117.5988 55.3799 42.3976 177.1873 *2127 R 3.8482 7.3431 116.2125 55.8371 31.3797 174.6581 2128 S 4.5336 7.8266 117.2252 57.3312 64.7888 173.1190 2129 F 5.5295 8.5472 121.5733 55.7702 42.4942 174.3679 2130 S 4.6243 8.8525 115.9004 56.5723 66.0123 172.6951 2131 H 4.3909 9.0156 126.3437 56.6198 29.5431 174.3400 2132 H 4.6710 9.0286 125.2594 56.0828 29.3540 174.2887 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 2003 S 8.19 4.46 0.00 3.93 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 2004 F 8.94 3.99 0.00 3.33 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 2005 E 9.20 3.72 0.00 2.09 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 0.00 2.41 2.48 0.00 2006 Q 7.98 3.93 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 2007 A 8.09 3.93 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 2008 I 7.62 3.31 1.44 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.01 0.21 0.00 0.00 2009 T 7.62 3.70 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 1.17 0.00 0.00 2010 Q 7.77 3.95 0.00 2.04 2.10 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 2.36 2.34 0.00 2011 L 7.81 4.12 0.00 1.92 1.96 0.95 1.10 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 2012 F 8.88 4.10 0.00 3.03 3.19 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 2013 Q 8.41 4.18 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2014 Q 8.15 4.12 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 2015 L 7.60 4.11 0.00 1.38 1.17 0.45 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 2016 S 7.50 3.81 0.00 4.19 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 0.00 2017 L 7.93 4.51 0.00 1.14 0.97 0.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 2018 S 8.51 4.30 0.00 4.02 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 2019 I 8.54 3.90 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.90 0.00 0.00 2020 P 0.00 4.62 0.00 2.40 2.31 0.00 3.55 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 2021 D 8.70 4.47 0.00 2.70 2.78 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 2022 T 7.16 4.44 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 2023 I 8.04 4.05 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.77 0.00 0.00 2024 E 8.20 4.25 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 2.41 2.46 0.00 2025 P 0.00 4.24 0.00 2.03 2.09 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 2026 V 7.54 4.56 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 0.84 0.00 0.00 0.96 0.00 0.00 2027 I 9.33 4.39 1.95 0.00 0.00 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 1.33 0.64 1.03 0.00 0.00 2028 G 8.69 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 0.00 0.00 0.00 0.00 2029 V 8.89 4.95 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 0.88 0.00 0.00 1.02 0.00 0.00 2030 K 8.85 4.82 0.00 1.81 1.63 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.21 7.81 2031 V 9.25 4.49 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 0.74 0.00 0.00 1.20 0.00 0.00 2032 G 8.60 3.82 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 0.00 0.00 0.00 2033 E 8.60 3.92 0.00 1.70 1.74 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 1.47 1.47 0.00 2034 F 8.33 4.54 0.00 3.22 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 2035 A 8.53 4.45 1.06 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 0.00 0.00 0.00 2036 C 9.14 5.02 0.00 2.96 2.78 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 2037 H 8.68 5.22 0.00 1.40 2.76 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2038 I 8.77 4.90 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 1.05 0.00 0.00 2039 T 8.91 4.68 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 1.33 0.00 0.00 2040 E 7.73 4.88 0.00 1.66 1.45 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 2.29 2.41 0.00 2041 H 8.61 4.44 0.00 3.04 3.10 0.00 6.00 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2042 P 0.00 4.44 0.00 2.20 2.09 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 2043 V 8.09 3.87 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 0.79 0.00 0.00 0.90 0.00 0.00 2044 G 10.51 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 2045 Q 8.05 5.06 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 2046 I 9.02 4.77 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 1.10 0.00 0.00 2047 L 8.97 5.35 0.00 1.99 1.68 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *2049 F 8.28 5.30 0.00 3.41 3.34 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 2050 T 9.14 4.93 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 1.27 0.00 0.00 2051 L 8.54 4.96 0.00 1.57 1.57 0.49 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 2052 P 0.00 4.56 0.00 2.22 2.09 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 2053 S 8.40 4.63 0.00 4.01 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 2054 L 8.31 4.31 0.00 1.77 1.72 1.12 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 2055 D 8.43 4.66 0.00 2.70 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 2056 N 9.11 4.23 0.00 2.74 2.90 0.00 0.00 7.24 7.79 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 2057 N 9.81 4.53 0.00 2.87 2.99 0.00 0.00 7.06 7.94 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 2058 D 7.86 4.33 0.00 2.96 2.71 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 2059 E 8.46 4.54 0.00 1.97 1.89 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 2.34 2.29 0.00 2060 K 8.36 3.97 0.00 1.96 2.04 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 2061 E 8.19 3.92 0.00 2.02 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 2.39 2.41 0.00 2062 T 7.83 3.87 4.53 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 1.28 0.00 0.00 2063 L 8.23 4.22 0.00 1.84 1.76 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 2064 L 8.51 4.12 0.00 1.82 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 2065 S 8.26 4.16 0.00 3.98 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 2066 H 8.01 4.22 0.00 3.26 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2067 N 7.63 4.66 0.00 2.85 2.82 0.00 0.00 6.92 7.46 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 2068 I 6.69 3.72 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.17 0.76 0.00 0.00 2069 F 8.02 4.41 0.00 3.11 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 2070 S 8.09 4.65 0.00 3.94 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 2071 Q 8.67 4.03 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 2072 D 8.36 4.68 0.00 2.73 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 2073 I 8.33 4.04 1.89 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 1.43 0.73 0.92 0.00 0.00 2074 L 8.08 4.42 0.00 1.77 1.74 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 2075 K 7.72 3.87 0.00 1.84 1.69 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 2076 P 0.00 4.53 0.00 2.03 1.98 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 2077 I 8.05 4.19 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.23 0.70 0.00 0.00 2078 L 8.38 4.88 0.00 1.62 1.57 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 2079 S 9.58 4.97 0.00 4.05 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 0.00 2080 W 8.77 5.18 0.00 3.48 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 2081 D 8.76 4.66 0.00 2.66 2.41 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 2082 E 8.99 4.27 0.00 2.08 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 0.00 2.59 2.35 0.00 2083 V 8.02 3.69 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 0.70 0.00 0.00 0.91 0.00 0.00 2084 G 8.14 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2085 G 8.63 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 2086 H 6.31 3.77 0.00 2.84 3.13 0.00 5.48 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2087 P 0.00 4.69 0.00 2.11 2.23 0.00 3.42 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 2088 V 8.98 4.62 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 0.86 0.00 0.00 0.88 0.00 0.00 2089 L 9.08 5.39 0.00 1.85 1.69 0.90 0.59 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 2090 W 8.98 5.86 0.00 3.55 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 2091 N 8.65 5.18 0.00 2.81 2.88 0.00 0.00 5.44 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 2092 R 8.72 5.49 0.00 2.22 2.07 0.00 3.29 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 2093 Q 8.35 4.77 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 2094 P 0.00 4.81 0.00 2.06 2.08 0.00 3.73 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 2.05 2.12 0.00 2095 L 9.15 4.10 0.00 1.86 1.71 1.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 2096 N 8.14 4.66 0.00 2.88 2.94 0.00 0.00 5.80 7.64 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 2097 S 7.64 4.70 0.00 3.81 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 2098 L 7.92 4.08 0.00 1.65 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 2099 D 8.40 4.87 0.00 2.76 2.69 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 2100 N 8.63 4.47 0.00 2.72 2.90 0.00 0.00 6.70 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2101 N 8.33 4.94 0.00 3.01 2.83 0.00 0.00 6.83 6.79 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 2102 S 8.55 4.14 0.00 4.00 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 2103 L 7.90 4.00 0.00 1.73 1.75 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 2104 Y 8.07 3.97 0.00 2.95 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 2105 T 7.89 3.99 4.46 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 1.25 0.00 0.00 2106 Q 8.05 4.11 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 2107 L 8.10 4.12 0.00 1.83 1.55 0.81 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 2108 E 7.78 4.00 0.00 1.93 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 2.29 2.32 0.00 *2110 L 7.88 4.15 0.00 1.80 1.85 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 2111 V 7.86 3.19 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 0.67 0.00 0.00 0.93 0.00 0.00 2112 Q 7.72 4.47 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 2113 G 7.93 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2114 A 7.67 4.06 0.96 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 2115 E 8.21 3.93 0.00 2.05 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 2.38 2.13 0.00 2116 R 7.86 4.01 0.00 1.97 2.06 0.00 3.16 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 2117 L 7.53 4.13 0.00 1.75 1.71 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *2127 R 7.34 3.85 0.00 1.10 1.12 0.00 3.23 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 2128 S 7.83 4.53 0.00 3.61 3.65 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 2129 F 8.55 5.53 0.00 2.80 2.74 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 2130 S 8.85 4.62 0.00 3.87 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 2131 H 9.02 4.39 0.00 3.11 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2132 H 9.03 4.67 0.00 3.25 3.25 0.00 5.86 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 * Residues marked with a * may have inaccurate shift predictions.