NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1108 8.0549 120.3107 61.4890 32.7759 174.1909 2 L 4.4328 8.0251 120.2390 51.2473 43.2758 176.1755 3 S 4.4112 8.7487 118.0003 57.9115 65.9915 174.6817 4 E 4.2676 9.0009 123.2755 59.8731 29.2579 179.4850 5 G 3.6243 8.0925 105.0112 47.7513 0.0000 175.3300 6 E 3.9335 8.2736 120.9086 58.9695 29.3737 179.4152 7 W 4.4023 8.0877 118.8722 60.0844 29.1215 178.5814 8 Q 4.1253 8.5251 118.0016 58.9781 27.9901 178.8579 9 L 4.0797 8.1624 120.0728 57.7955 41.5770 179.7461 10 V 3.7635 7.9355 118.1936 66.1355 31.5033 178.0503 11 L 4.2423 8.3779 118.6302 57.4807 41.2978 178.9017 12 H 4.2329 8.3368 118.0508 59.4322 30.2572 177.4698 13 V 3.6631 7.8200 114.1967 63.9105 31.3753 178.3610 14 W 3.9216 8.6951 128.2371 60.2198 30.2284 177.7995 15 A 4.0290 8.0856 120.3180 55.0162 17.5595 179.4406 16 K 3.8906 7.6214 116.6435 59.4433 32.0286 179.6980 17 V 2.7651 6.9499 118.0082 65.6608 31.0460 177.6728 18 E 3.9197 7.5746 116.7096 58.5352 29.3195 178.6932 19 A 4.2089 7.2888 119.9061 54.0816 19.9637 177.6019 20 D 4.6491 7.8511 116.4785 52.1299 42.7150 175.5252 21 V 3.5208 7.9765 123.0392 65.4262 32.0615 176.6945 22 A 4.0546 8.0250 120.1825 55.1644 18.2791 179.6253 23 G 3.5131 8.6775 104.4970 48.3479 0.0000 175.6567 24 H 4.1818 8.1573 118.4148 58.3391 28.6682 178.1577 25 G 3.5995 8.2637 107.6824 47.8424 0.0000 175.8057 26 Q 3.9390 8.1369 120.5269 58.8653 28.7572 178.6313 27 D 4.2973 8.0587 119.8219 57.3217 40.7678 179.0303 28 I 3.6363 7.9835 120.6267 64.7072 37.0687 178.2421 29 H 3.5253 8.0905 117.0046 58.5493 28.4033 178.0116 30 I 3.6856 7.7379 121.7668 64.1241 36.8204 178.4540 31 R 3.7737 7.8112 119.5603 59.2653 29.9633 178.1088 32 L 3.9159 8.0428 120.4854 58.4726 42.1460 179.0975 33 F 4.5829 8.3128 117.9216 60.4106 38.5582 178.0179 34 K 4.0052 7.9672 117.3423 59.6912 32.1055 179.4962 35 S 4.2537 8.1259 114.2429 60.5825 64.0678 174.7151 36 H 4.7068 7.9750 118.3023 52.2579 29.7704 171.9928 37 P 4.8136 0.0000 0.0000 64.3210 31.2315 177.4655 38 E 4.1278 8.1606 116.1217 59.4308 29.1373 179.1086 39 T 4.1313 7.9023 116.8230 66.2460 68.8126 176.2396 40 L 3.5199 7.8966 122.4146 57.9355 41.8470 178.5539 41 E 3.9710 8.2294 116.9974 59.7311 29.4683 179.2485 42 K 4.2797 7.8945 116.8735 58.5247 33.7137 178.3235 43 H 4.6904 8.0316 119.3318 54.4660 25.4943 175.4088 44 D 4.4067 7.8410 122.6042 57.0241 41.4475 176.9297 45 R 3.8530 7.6880 117.9364 57.9101 30.3824 176.4297 46 F 4.9750 8.0298 115.0501 57.1756 40.0122 176.6367 47 K 3.9855 7.6474 120.9791 58.3939 32.0285 177.1002 48 H 4.4050 8.1055 112.3444 56.9875 28.8715 175.6888 49 L 4.2830 7.5270 121.3477 53.8263 40.2148 176.4211 50 K 4.0966 9.5273 124.6826 58.1865 32.6454 178.1105 51 T 4.6849 7.6071 110.9231 59.6223 71.5293 174.2905 52 E 3.9732 8.6347 123.0591 59.3945 29.4905 179.5429 53 A 3.9876 7.9268 120.4765 55.1325 18.2913 179.3964 54 E 3.9571 8.0665 115.8825 59.5862 29.7895 178.8598 55 M 4.2172 8.2202 118.8760 58.6148 31.8938 179.1064 56 K 4.0252 8.1282 116.8854 59.0515 32.2875 178.7654 57 A 4.3965 7.7731 119.2438 52.5516 18.7789 177.7789 58 S 4.3534 7.6341 112.8399 57.2369 62.8882 174.0048 59 E 3.9471 8.7243 131.1145 59.3968 29.4314 177.9855 60 D 4.4242 8.1414 117.7389 56.9283 41.4377 177.7556 61 L 2.7892 8.0096 121.2085 57.5544 42.0193 178.8396 62 K 3.8669 7.8980 119.7764 59.3171 32.0406 178.8511 63 K 3.9941 8.2531 119.2415 60.2748 32.3621 178.5546 64 H 4.2976 8.6429 119.8362 59.0325 29.6838 177.5120 65 G 3.5398 8.1485 107.5579 47.6340 0.0000 175.8816 66 V 3.6112 7.7851 120.5461 66.0159 31.4566 178.1539 67 T 3.8936 8.2111 115.7927 66.8451 68.2833 176.4661 68 E 4.0100 8.3834 120.4722 59.5238 29.4933 179.5016 69 L 4.2055 8.3812 119.3297 57.8552 41.6305 179.6901 70 T 3.9575 8.4068 116.1605 66.6056 68.4150 176.4898 71 A 3.9820 7.8597 122.3657 54.9832 18.3344 179.3929 72 L 3.6828 8.1918 119.1842 58.1222 42.0426 179.3801 73 G 3.1539 8.4450 105.7891 47.6037 0.0000 175.3702 74 A 3.9377 7.7227 122.1349 54.8497 18.7725 179.4730 75 I 3.7281 7.5781 118.1490 64.6016 37.1649 178.6867 76 L 3.9211 7.7945 120.0048 57.7080 41.1813 179.7850 77 K 3.8789 7.9185 117.4170 58.8131 32.2525 178.8529 78 K 3.9108 7.7252 117.5895 56.0803 32.8297 176.4441 79 K 2.0000 8.1908 118.4860 56.3146 29.6599 174.4694 80 G 4.0859 7.7602 105.8229 45.7049 0.0000 173.2160 81 H 4.5607 7.3485 121.1817 55.2290 28.2921 174.3046 82 H 4.9100 7.3563 112.9836 55.2746 29.7365 176.4684 83 E 3.9547 8.5712 122.7250 60.0253 28.9909 178.3976 84 A 3.9821 7.9830 118.7705 55.5762 18.4763 179.0786 85 E 4.1177 8.1343 116.3483 59.3429 29.5832 179.3954 86 L 4.2622 8.4318 119.6386 57.4987 41.7178 179.3512 87 K 3.9265 8.0676 118.7842 59.2052 32.0986 177.5042 88 P 4.3134 0.0000 0.0000 65.8815 31.1217 178.3175 89 L 4.0743 7.6243 118.7685 57.4782 41.4635 179.2350 90 A 4.1408 8.4428 121.0818 55.3106 18.3711 179.4408 91 Q 3.9022 7.9950 116.5672 59.3897 28.7860 179.6006 92 S 4.0960 8.2687 114.9905 61.8217 63.1581 176.1444 93 H 4.2243 8.8931 120.0842 58.1364 28.2029 177.7891 94 A 3.1738 7.9032 122.4880 54.7763 18.3295 179.0470 95 T 4.2519 7.6202 105.2796 62.0772 69.8123 175.2328 96 K 4.2983 7.6358 118.7805 58.4798 33.6920 177.3818 97 H 4.3230 8.1912 115.3729 56.5978 29.3247 175.6281 98 K 3.7994 7.8116 116.5065 57.2414 28.4811 176.3597 99 I 4.1794 8.0945 119.5880 59.0879 38.3710 175.1406 100 P 4.4845 0.0000 0.0000 62.1309 32.1015 177.6189 101 I 3.4729 8.7556 123.4494 64.2898 37.5003 178.8118 102 K 4.6666 7.8051 120.9618 59.7705 32.1057 178.6169 103 Y 3.8840 7.9929 117.6245 60.4913 37.6216 178.1639 104 L 4.1481 7.9914 120.3718 57.5623 41.6872 179.2078 105 E 3.9806 7.8746 118.3403 59.2820 29.4494 179.0111 106 F 4.4337 7.6318 117.7400 60.7193 38.9302 177.2955 107 E 3.9996 8.5750 118.8956 59.5281 29.3890 178.9908 108 S 4.2524 8.5243 115.4469 61.6494 62.7918 176.6156 109 E 4.0197 8.3480 121.0194 59.4050 29.1747 179.2903 110 A 4.0235 8.0847 120.8111 55.0677 18.4172 179.7080 111 I 3.6674 8.2058 118.7426 64.7890 37.2824 178.8156 112 I 3.9380 8.1023 120.7332 64.4761 36.9228 178.0117 113 H 3.7744 8.6521 119.6052 59.3008 29.7585 177.5629 114 V 3.5424 8.1240 120.3559 65.9354 31.2497 177.9987 115 L 3.8640 7.9930 119.1544 57.5403 41.1340 178.7671 116 H 4.6134 7.8869 113.9336 58.0944 28.9070 177.4646 117 S 4.2891 7.7918 117.5243 60.9278 62.7335 175.8336 118 R 4.1982 7.8412 119.4141 57.0364 31.8338 176.4064 119 H 4.9945 8.2005 115.0569 53.5742 29.8577 172.4092 120 P 4.4327 0.0000 0.0000 66.0359 31.7062 180.0049 121 G 3.8766 7.9979 103.5162 45.7318 0.0000 173.9942 122 D 4.7980 8.2085 115.5129 54.3118 45.9056 175.2829 123 F 5.1203 7.7896 119.5500 56.3405 39.3714 173.8096 124 G 3.9168 7.5922 109.6433 43.6338 0.0000 171.7447 125 A 3.8690 8.4272 120.5705 55.3871 18.1358 179.6347 126 D 4.1900 7.9630 116.3724 57.4688 40.9336 178.6980 127 A 3.9925 7.8099 120.6819 55.2231 18.4683 179.4049 128 Q 3.2484 7.8433 117.0007 58.8503 28.7126 179.4940 129 G 3.5606 8.2875 106.7930 47.6130 0.0000 175.6900 130 A 3.8673 8.0439 123.1971 55.0713 18.3726 179.4421 131 M 4.0053 8.4212 117.1804 58.6931 32.2639 177.8551 132 N 4.3180 8.6815 117.6613 56.7078 39.0737 177.0005 133 K 4.6408 8.3864 120.8897 59.0813 32.1170 179.2229 134 A 3.9123 8.0365 121.1641 55.2248 18.3034 179.7543 135 L 4.1396 8.2092 117.5696 57.6280 41.7363 179.3679 136 E 3.9429 8.5491 119.8527 58.9667 29.6141 178.2750 137 L 3.9414 8.3079 120.9538 58.2986 42.1154 178.5006 138 F 4.1839 8.2753 120.2581 61.6360 39.2855 177.3057 139 R 3.4037 8.1063 117.2123 59.1217 30.0218 179.1657 140 K 3.9031 8.1994 118.4492 59.6360 31.9960 179.1854 141 D 4.3501 8.1534 119.0382 57.2833 40.7237 178.8262 142 I 3.5485 7.8715 120.4988 64.1753 37.0118 178.1148 143 A 3.6552 8.2256 121.6656 55.1267 18.1207 179.6094 144 A 3.9190 7.7935 118.6422 55.3855 18.4403 180.1319 145 K 4.0146 8.1323 117.0118 59.4409 31.8186 179.1712 146 Y 4.1080 8.2984 117.0152 61.2584 38.1881 178.6505 147 K 4.1687 8.1756 119.1797 59.6022 31.9127 179.3669 148 E 4.0116 8.1872 117.9922 59.1780 29.4747 178.8478 149 L 4.1609 8.0209 117.5399 54.8973 41.9859 177.6852 150 G 3.5665 7.1308 104.1531 45.0261 0.0000 170.4274 151 Y 3.6795 8.0962 118.4041 57.7503 36.6835 170.9312 152 Q 4.1689 8.9757 123.0185 56.1066 29.7550 177.6504 153 G 3.7929 8.6652 107.4994 46.0315 0.0000 173.6709 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 V 8.05 4.11 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 0.93 0.00 0.00 1.04 0.00 0.00 2 L 8.03 4.43 0.00 0.88 0.73 0.49 -0.70 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 3 S 8.75 4.41 0.00 4.07 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 4 E 9.00 4.27 0.00 2.19 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 0.00 2.44 2.54 0.00 5 G 8.09 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.27 3.93 0.00 2.03 1.72 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 2.22 2.27 0.00 7 W 8.09 4.40 0.00 3.56 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 8 Q 8.53 4.13 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.81 0.00 9 L 8.16 4.08 0.00 1.92 1.78 0.91 0.62 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 10 V 7.94 3.76 2.51 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 1.29 0.00 0.00 0.90 0.00 0.00 11 L 8.38 4.24 0.00 1.86 1.80 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.34 4.23 0.00 3.18 3.44 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.66 1.96 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 1.16 0.00 0.00 1.15 0.00 0.00 14 W 8.70 3.92 0.00 3.55 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 15 A 8.09 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 3.89 0.00 1.46 1.36 0.00 1.56 0.00 0.00 1.43 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.32 7.81 17 V 6.95 2.77 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 -0.04 0.00 0.00 0.04 0.00 0.00 18 E 7.57 3.92 0.00 2.05 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 2.30 2.45 0.00 19 A 7.29 4.21 1.25 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 0.00 0.00 0.00 20 D 7.85 4.65 0.00 2.66 2.49 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 21 V 7.98 3.52 2.05 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 0.98 0.00 0.00 0.92 0.00 0.00 22 A 8.02 4.05 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 23 G 8.68 3.51 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 0.00 24 H 8.16 4.18 0.00 3.17 3.22 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.26 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 26 Q 8.14 3.94 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 27 D 8.06 4.30 0.00 2.78 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 28 I 7.98 3.64 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.81 0.00 0.00 29 H 8.09 3.53 0.00 3.07 2.52 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.74 3.69 1.86 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 1.42 0.90 0.90 0.00 0.00 31 R 7.81 3.77 0.00 1.92 2.10 0.00 3.05 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 8.04 3.92 0.00 1.79 1.53 1.01 0.98 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 33 F 8.31 4.58 0.00 2.99 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 34 K 7.97 4.01 0.00 1.72 1.84 0.00 2.01 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 35 S 8.13 4.25 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 36 H 7.97 4.71 0.00 3.04 2.61 0.00 5.82 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 37 P 0.00 4.81 0.00 2.14 2.09 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.16 4.13 0.00 2.32 2.28 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 2.00 2.29 0.00 39 T 7.90 4.13 4.56 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 1.56 0.00 0.00 40 L 7.90 3.52 0.00 1.31 1.65 -0.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.23 3.97 0.00 2.23 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 2.32 2.40 0.00 42 K 7.89 4.28 0.00 2.14 2.03 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.88 2.02 7.81 43 H 8.03 4.69 0.00 3.43 3.53 0.00 5.82 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.84 4.41 0.00 2.77 2.61 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 45 R 7.69 3.85 0.00 1.44 1.25 0.00 2.78 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 46 F 8.03 4.98 0.00 3.11 2.87 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 0.00 0.00 0.00 0.00 47 K 7.65 3.99 0.00 1.88 1.80 0.00 1.79 0.00 0.00 2.06 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.32 7.81 48 H 8.11 4.41 0.00 3.32 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.28 0.00 1.73 1.66 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.53 4.10 0.00 1.87 1.86 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81 51 T 7.61 4.68 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 1.30 0.00 0.00 52 E 8.63 3.97 0.00 2.05 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 2.41 2.39 0.00 53 A 7.93 3.99 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 54 E 8.07 3.96 0.00 2.10 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 2.40 0.00 55 M 8.22 4.22 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 56 K 8.13 4.03 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 57 A 7.77 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.35 0.00 3.89 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 59 E 8.72 3.95 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.14 4.42 0.00 2.94 2.92 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 61 L 8.01 2.79 0.00 1.13 1.55 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.87 0.00 1.84 1.94 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 K 8.25 3.99 0.00 2.07 2.09 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.63 7.81 64 H 8.64 4.30 0.00 3.50 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.15 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.79 3.61 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 1.13 0.00 0.00 1.01 0.00 0.00 67 T 8.21 3.89 4.45 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 1.27 0.00 0.00 68 E 8.38 4.01 0.00 2.01 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 2.40 2.37 0.00 69 L 8.38 4.21 0.00 1.87 1.91 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.41 3.96 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 1.25 0.00 0.00 71 A 7.86 3.98 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 72 L 8.19 3.68 0.00 1.60 1.77 0.33 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.45 3.15 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 74 A 7.72 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.58 3.73 1.78 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 1.51 1.06 0.80 0.00 0.00 76 L 7.79 3.92 0.00 1.32 1.58 -0.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.92 3.88 0.00 1.73 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.51 7.81 78 K 7.73 3.91 0.00 1.94 1.82 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.41 7.81 79 K 8.19 2.00 0.00 1.18 0.74 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.98 7.81 80 G 7.76 4.09 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 0.00 0.00 0.00 81 H 7.35 4.56 0.00 3.06 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.36 4.91 0.00 3.34 3.44 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.57 3.95 0.00 2.12 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 2.42 2.44 0.00 84 A 7.98 3.98 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 85 E 8.13 4.12 0.00 2.01 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 2.39 2.32 0.00 86 L 8.43 4.26 0.00 1.99 1.76 0.96 0.78 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 87 K 8.07 3.93 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 89 L 7.62 4.07 0.00 2.06 1.85 1.01 1.00 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 90 A 8.44 4.14 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 91 Q 7.99 3.90 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 92 S 8.27 4.10 0.00 4.00 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 93 H 8.89 4.22 0.00 3.55 3.64 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 3.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.62 4.25 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 1.15 0.00 0.00 96 K 7.64 4.30 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.35 7.81 97 H 8.19 4.32 0.00 3.07 3.30 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.81 3.80 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.36 7.81 99 I 8.09 4.18 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 1.06 0.00 0.00 100 P 0.00 4.48 0.00 1.73 1.75 0.00 2.20 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 1.06 1.75 0.00 101 I 8.76 3.47 1.67 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.64 0.71 0.00 0.00 102 K 7.81 4.67 0.00 1.90 1.96 0.00 1.41 0.00 0.00 1.77 0.00 0.00 3.35 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.44 7.81 103 Y 7.99 3.88 0.00 3.15 3.13 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 0.00 104 L 7.99 4.15 0.00 1.91 1.77 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.87 3.98 0.00 1.96 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 0.00 2.35 2.44 0.00 106 F 7.63 4.43 0.00 3.17 2.81 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 0.00 0.00 0.00 0.00 107 E 8.58 4.00 0.00 2.16 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 0.00 2.38 2.40 0.00 108 S 8.52 4.25 0.00 4.11 3.98 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 0.00 109 E 8.35 4.02 0.00 2.30 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 0.00 2.43 2.68 0.00 110 A 8.08 4.02 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 0.00 111 I 8.21 3.67 2.08 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 1.61 0.81 1.06 0.00 0.00 112 I 8.10 3.94 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.09 1.16 0.00 0.00 113 H 8.65 3.77 0.00 3.21 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.12 3.54 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 7.99 3.86 0.00 1.36 0.47 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.61 0.00 3.53 4.04 0.00 5.75 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 0.00 117 S 7.79 4.29 0.00 3.80 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 0.00 118 R 7.84 4.20 0.00 1.67 1.54 0.00 2.77 0.00 0.00 2.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 119 H 8.20 4.99 0.00 3.17 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.43 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 121 G 8.00 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 0.00 122 D 8.21 4.80 0.00 2.71 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 0.00 123 F 7.79 5.12 0.00 3.10 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 0.00 124 G 7.59 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 0.00 125 A 8.43 3.87 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 0.00 126 D 7.96 4.19 0.00 2.69 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 0.00 127 A 7.81 3.99 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 0.00 128 Q 7.84 3.25 0.00 1.92 1.88 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 1.46 1.33 0.00 129 G 8.29 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 0.00 130 A 8.04 3.87 1.29 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 0.00 0.00 0.00 131 M 8.42 4.01 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.68 4.32 0.00 2.86 2.92 0.00 0.00 7.23 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 0.00 133 K 8.39 4.64 0.00 1.99 1.66 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.24 7.81 134 A 8.04 3.91 1.29 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 0.00 0.00 0.00 135 L 8.21 4.14 0.00 1.78 1.83 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 3.94 0.00 2.03 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 2.31 0.00 137 L 8.31 3.94 0.00 1.87 2.05 1.01 1.05 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 0.00 138 F 8.28 4.18 0.00 3.12 3.26 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 0.00 139 R 8.11 3.40 0.00 1.94 1.81 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 140 K 8.20 3.90 0.00 2.00 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.60 7.81 141 D 8.15 4.35 0.00 2.88 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 0.00 142 I 7.87 3.55 1.40 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.35 0.61 0.00 0.00 143 A 8.23 3.66 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 0.00 144 A 7.79 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.13 4.01 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 146 Y 8.30 4.11 0.00 2.99 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 0.00 147 K 8.18 4.17 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.81 7.81 148 E 8.19 4.01 0.00 1.94 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 2.51 2.44 0.00 149 L 8.02 4.16 0.00 1.75 1.64 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.13 3.57 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 0.00 0.00 0.00 151 Y 8.10 3.68 0.00 3.07 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 0.00 152 Q 8.98 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 153 G 8.67 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 0.00 0.00 0.00