NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3975 8.2649 123.5798 52.4727 18.8990 175.2638 3 R 4.5276 8.3531 117.6301 58.2597 36.7540 175.4325 4 R 4.0828 9.0269 116.5071 58.8569 31.1299 176.7175 5 R 4.6817 7.5105 113.1993 54.5866 33.9642 174.8153 6 R 4.1901 8.5718 118.6438 55.2703 31.1136 177.5416 7 A 3.6723 7.8463 119.2316 52.6423 17.2147 176.0301 8 E 4.4674 8.4414 114.8402 54.8070 32.3806 175.4928 9 V 3.6099 8.4408 123.9275 63.2791 32.0468 175.2985 10 R 4.3889 8.2989 125.1260 54.5353 30.9193 176.3320 11 Q 4.0373 8.6563 122.6821 55.7196 29.0131 176.5234 12 L 3.9837 8.4692 123.2090 54.8009 42.1957 177.2708 13 Q 3.9961 8.5211 120.8913 55.2121 28.0490 174.4520 14 P 4.2708 0.0000 0.0000 62.2951 31.6439 175.0938 15 D 4.5897 8.3104 117.4060 54.5168 41.8236 175.9397 16 L 4.4357 8.2925 119.1788 56.3892 43.7645 178.8169 17 V 3.7527 8.0584 115.9968 65.1673 31.7005 175.9874 18 Y 4.3729 7.7004 114.2224 56.2008 40.0773 173.1421 19 G 4.2000 8.5488 111.1534 44.3438 0.0000 170.8592 20 D 4.3712 7.7406 118.7725 52.4398 44.6150 177.3410 21 V 3.6452 8.2516 120.6846 64.6532 31.4896 178.4030 22 L 4.0420 8.0510 116.8282 57.9442 41.2740 179.2506 23 V 3.7754 8.0891 118.9968 65.8044 31.6445 177.5950 24 T 3.8344 7.6610 107.3721 63.1626 68.3830 175.2017 25 A 4.0084 8.2858 123.6008 55.6679 18.0362 178.8739 26 F 4.5045 8.6469 119.0974 60.5377 40.1509 176.9676 27 I 3.5805 7.4179 119.1842 64.6742 36.6531 177.7160 28 N 4.2807 7.9575 115.9856 56.3286 38.4330 176.9556 29 K 4.1972 7.1377 115.2699 58.7055 32.5757 178.9372 30 I 3.6214 7.5524 119.7559 63.3993 37.7803 177.1177 31 M 4.2846 7.6107 119.1774 54.3542 30.3790 174.9259 32 R 3.9225 7.6598 120.1365 56.7846 30.5223 175.8626 33 D 4.7003 8.8128 125.4670 55.6881 39.5258 172.7576 34 G 2.9897 6.7728 107.8846 44.6014 0.0000 172.1095 35 K 4.3071 7.4137 121.6628 54.7155 34.0303 176.4130 36 K 4.0874 8.6734 127.7297 58.0830 32.7725 177.0014 37 N 4.5150 7.9747 116.2831 56.3253 39.2895 175.9452 38 L 3.8159 7.7945 118.7465 58.6241 42.4740 178.5599 39 A 4.0520 8.0922 120.2860 55.3585 18.5807 178.6883 40 A 4.4794 7.7268 115.3412 52.7321 18.3903 178.1782 41 R 4.6057 8.5401 117.7669 58.2264 32.9589 177.4035 42 I 4.1865 7.7881 114.4772 62.1031 36.7149 176.3320 43 F 4.5612 8.5405 119.9167 58.1320 40.5590 177.0025 44 Y 4.6952 8.5553 116.9554 57.8549 37.3713 175.3109 45 D 4.8147 8.7493 119.6277 53.7758 45.7713 177.1398 46 A 3.9110 8.3342 121.8579 55.1438 18.2783 179.2667 47 C 3.9382 7.9592 112.3353 61.4679 29.8210 175.9966 48 K 4.0823 8.0896 120.2136 58.5707 31.2155 179.1764 49 I 3.6818 7.6277 120.7035 64.3949 36.7660 178.2027 50 I 3.7302 7.2115 120.0706 64.6337 36.8309 178.3433 51 Q 3.9418 8.0001 118.4577 56.6490 28.9909 177.5159 52 E 4.2317 8.5275 116.9360 56.7496 29.0790 177.8658 53 K 4.4726 5.6600 123.4529 60.4056 32.9932 176.8132 54 T 4.1459 7.5808 116.2703 62.9270 68.8562 176.0940 55 G 3.9065 8.7853 112.5306 46.7793 0.0000 172.8243 56 Q 4.6880 7.8499 117.7775 53.4619 32.7033 175.2697 57 E 4.2594 8.4623 119.5652 55.3806 30.5559 176.3489 58 P 4.2599 0.0000 0.0000 66.2529 30.7968 178.2050 59 L 4.1267 8.0789 118.5857 58.1713 41.9098 178.6486 60 K 4.2265 7.8818 116.3689 57.5938 33.3465 177.9875 61 V 4.1395 7.7980 121.7494 61.5630 31.5565 175.1826 62 F 4.7919 8.0723 133.4452 58.5296 38.6027 176.9499 63 K 4.2595 9.2007 116.8846 56.4485 32.6292 177.5423 64 Q 3.9884 8.4297 123.0394 59.2347 29.0409 176.5697 65 A 3.8662 7.8687 121.7896 54.8839 18.2703 179.1449 66 V 3.4469 7.6379 115.5908 66.1424 31.5187 177.5791 67 E 4.0101 7.6987 117.3686 59.5101 29.6629 178.1798 68 N 4.5263 7.6502 112.8192 53.6010 39.4982 175.2701 69 V 4.0709 7.3594 119.9553 62.6054 32.0588 176.7377 70 K 4.4919 7.5052 117.5258 53.8660 32.4213 174.8492 71 P 4.6035 0.0000 0.0000 61.9731 33.5845 176.8758 72 R 4.5476 8.4831 114.7340 56.4181 31.4917 174.5412 73 M 4.9279 7.4751 116.8572 53.9686 35.5270 172.9706 74 E 4.6561 8.2099 115.8513 56.5675 31.8180 174.1087 75 V 4.3324 8.2901 118.6134 61.4999 32.7678 174.9030 76 R 4.5217 8.0783 125.9126 56.3650 33.3041 173.7217 77 S 4.6055 8.1143 110.8670 58.6073 65.1265 174.6632 78 R 4.3768 8.0547 121.5816 55.6890 32.5667 174.4326 79 R 4.5128 8.3892 123.5934 55.0251 31.3782 174.3329 80 V 4.3026 7.7848 115.3562 61.6633 34.2359 176.3041 81 G 4.9214 7.3878 115.9434 44.5170 0.0000 174.2214 82 G 5.0119 7.4282 122.8789 46.1173 0.0000 172.4564 83 A 4.5325 7.4093 120.7671 50.1222 22.3701 174.4621 84 N 4.7199 7.9759 116.3138 52.0686 40.6885 173.2189 85 Y 5.0023 8.2649 122.8477 55.9538 41.2043 174.9758 86 Q 4.0771 9.1736 123.9508 56.9982 29.4624 177.0064 87 V 4.2542 8.4343 125.4675 60.6003 31.8739 173.4366 88 P 4.8313 0.0000 0.0000 62.7010 32.5565 175.9521 89 M 4.5864 8.2670 116.2842 55.6433 34.0072 173.8864 90 E 3.8587 9.1369 118.9382 57.1534 30.1256 176.9284 91 V 4.4553 8.3006 125.1825 60.9938 33.6577 174.7146 92 S 4.8712 8.1898 119.8795 55.3091 65.7845 173.3009 93 P 4.2971 0.0000 0.0000 65.2117 30.7022 178.1751 94 R 3.8071 7.9946 118.1016 59.9751 30.0862 177.3221 95 R 4.2087 7.8743 116.8773 58.3215 30.4164 177.8758 96 Q 4.0032 7.7887 118.6467 59.0934 28.4794 179.2035 97 Q 3.9555 7.6760 116.7984 59.6268 28.8179 178.9887 98 S 4.2613 7.9411 117.0375 61.0724 63.1290 176.5747 99 L 4.0916 8.6904 121.5850 57.4400 41.1157 178.9324 100 A 4.2944 8.2690 119.7240 53.6387 18.2934 178.1537 101 L 4.1134 7.6569 116.3626 54.1843 42.5151 178.0818 102 R 3.7081 8.4434 120.5095 59.0356 29.9913 177.9481 103 W 4.3875 8.4693 119.2779 59.1565 28.9111 178.1073 104 L 3.9958 7.2336 117.7941 58.6525 41.4067 179.1444 105 V 3.7812 8.2641 117.8381 66.4478 31.2013 177.7420 106 Q 4.1854 8.0713 116.3288 59.2909 28.2313 177.7719 107 A 4.5450 8.5310 119.5823 52.1702 18.4236 177.2140 108 A 4.6670 8.3544 119.1304 52.0998 19.6105 176.2134 109 N 4.8767 7.3181 110.7825 55.3420 41.8884 176.2548 110 Q 4.3857 7.6869 123.9060 56.0339 27.0328 174.9140 111 R 4.6911 7.7664 119.3956 53.7557 34.2313 173.8999 112 P 5.0058 0.0000 0.0000 63.4008 32.4490 176.8337 113 E 4.8107 7.4749 119.5411 57.6724 29.7437 175.6868 114 R 4.6223 8.2062 127.9621 55.7003 31.7281 175.1889 115 R 4.0195 8.6522 122.2113 57.0830 31.9632 176.6411 116 A 3.9181 8.7165 120.5421 55.9096 18.2858 179.4986 117 A 4.2758 7.9137 119.2575 55.2605 18.3902 179.7399 118 V 3.5096 7.7598 115.4388 66.2119 31.4555 178.2514 119 R 3.9335 7.7532 116.4192 59.4148 30.1171 178.5760 120 I 3.7534 8.4217 119.5455 64.5016 37.1565 177.8575 121 A 4.2063 7.8748 120.6205 55.8753 18.0480 179.2501 122 H 4.4626 8.1276 109.2057 56.9153 28.6907 175.8442 123 E 4.6459 8.1647 121.4005 55.9463 31.9644 177.5038 124 L 3.9138 8.7268 119.0644 58.1981 41.8969 178.5684 125 M 4.1755 7.9858 117.0859 58.2848 32.0573 176.5148 126 D 4.8568 7.9753 118.6853 54.9250 41.2717 176.1715 127 A 4.7357 7.9451 117.5638 50.7607 19.5433 176.3122 128 A 4.5735 7.6404 122.1777 53.0191 22.5762 177.7726 129 E 3.8176 8.5041 117.9736 55.4607 31.4272 177.7566 130 G 4.9629 6.6571 125.5524 46.5049 0.0000 172.3120 131 K 4.5106 7.6467 116.8317 55.9357 35.7826 174.4324 132 G 4.1144 8.1036 111.8852 44.5203 0.0000 175.6972 133 G 4.0822 8.8615 111.2264 45.2246 0.0000 173.9846 134 A 4.1761 8.0646 121.2982 53.9658 17.9514 178.9948 135 V 3.3213 8.3587 119.3309 65.3889 32.1674 175.9173 136 K 3.7836 8.2351 118.0600 59.9697 31.8024 178.2331 137 K 4.9111 8.6750 119.9592 58.8107 32.1761 179.3810 138 K 3.6229 8.1003 119.5632 59.6121 32.4614 178.5375 139 E 4.7848 8.4491 120.3299 58.7233 29.2250 179.1119 140 D 4.3636 7.8523 119.0236 57.5545 41.0507 178.9008 141 V 3.6892 7.8978 118.3837 66.1790 31.4973 177.8801 142 E 4.0813 8.0733 117.9692 59.1457 29.1160 179.0227 143 R 4.1264 7.9322 116.7566 58.0325 31.0032 177.4167 144 M 4.4685 7.5864 119.6321 55.7745 30.7739 174.8902 145 A 4.5927 7.4831 127.8605 49.6330 21.5891 177.5086 146 E 3.6405 9.4561 117.9555 59.1432 27.9575 175.5925 147 A 4.5046 8.9045 123.1079 52.9262 19.4561 179.3314 148 N 4.2523 8.2183 116.7182 55.5615 43.9964 177.1749 149 R 3.7787 7.6847 116.6810 58.4856 30.2237 177.1288 150 A 4.0330 7.3136 119.2166 54.9172 18.7924 177.7018 151 Y 4.6597 7.2913 116.3032 57.3790 36.2476 174.3106 152 A 4.5132 7.5261 123.7437 53.8826 21.6778 177.5362 153 H 4.2148 8.4702 109.7226 58.6966 28.6594 175.2110 154 Y 4.2672 7.3190 118.5714 58.0511 36.8664 175.0520 155 R 4.4427 8.2380 123.9321 54.6526 32.7127 176.5854 156 W 3.9837 7.9306 121.1887 57.2256 29.1301 173.8491 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 A 8.26 4.40 1.28 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 0.00 0.00 0.00 0.00 0.00 3 R 8.35 4.53 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 4 R 9.03 4.08 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 R 7.51 4.68 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 6 R 8.57 4.19 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 A 7.85 3.67 1.34 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 0.00 0.00 8 E 8.44 4.47 0.00 1.91 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 2.21 2.28 0.00 9 V 8.44 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 10 R 8.30 4.39 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 Q 8.66 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 L 8.47 3.98 0.00 1.62 1.62 0.95 1.01 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 13 Q 8.52 4.00 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 P 0.00 4.27 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 15 D 8.31 4.59 0.00 2.99 2.72 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 0.00 0.00 0.00 16 L 8.29 4.44 0.00 1.66 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.06 3.75 2.30 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 0.58 0.00 0.00 1.08 0.00 0.00 18 Y 7.70 4.37 0.00 3.11 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 19 G 8.55 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 20 D 7.74 4.37 0.00 2.69 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 0.00 0.00 0.00 0.00 21 V 8.25 3.65 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 0.81 0.00 0.00 0.95 0.00 0.00 22 L 8.05 4.04 0.00 1.77 1.71 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.09 3.78 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 24 T 7.66 3.83 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 1.14 0.00 0.00 25 A 8.29 4.01 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 26 F 8.65 4.50 0.00 3.09 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 27 I 7.42 3.58 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.74 0.00 0.00 28 N 7.96 4.28 0.00 3.05 2.91 0.00 0.00 7.07 7.33 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 29 K 7.14 4.20 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.74 7.81 30 I 7.55 3.62 1.86 0.00 0.00 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 0.25 -0.36 0.86 0.00 0.00 31 M 7.61 4.28 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 32 R 7.66 3.92 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 D 8.81 4.70 0.00 2.86 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 34 G 6.77 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 0.00 0.00 0.00 35 K 7.41 4.31 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.40 7.81 36 K 8.67 4.09 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 N 7.97 4.52 0.00 2.82 2.77 0.00 0.00 6.67 6.54 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 38 L 7.79 3.82 0.00 1.77 1.84 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.09 4.05 1.34 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 0.00 0.00 40 A 7.73 4.48 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 41 R 8.54 4.61 0.00 2.06 1.91 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 42 I 7.79 4.19 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.89 0.00 0.00 43 F 8.54 4.56 0.00 3.12 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 44 Y 8.56 4.70 0.00 2.98 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 45 D 8.75 4.81 0.00 2.79 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 46 A 8.33 3.91 1.08 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 0.00 0.00 47 C 7.96 3.94 0.00 3.17 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 48 K 8.09 4.08 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.59 7.81 49 I 7.63 3.68 2.10 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 1.51 1.38 0.90 0.00 0.00 50 I 7.21 3.73 2.06 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 1.40 0.84 0.99 0.00 0.00 51 Q 8.00 3.94 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 52 E 8.53 4.23 0.00 2.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 53 K 5.66 4.47 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 T 7.58 4.15 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 1.28 0.00 0.00 55 G 8.79 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 56 Q 7.85 4.69 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 57 E 8.46 4.26 0.00 2.05 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 2.42 2.31 0.00 58 P 0.00 4.26 0.00 2.26 2.48 0.00 3.75 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 2.13 2.13 0.00 59 L 8.08 4.13 0.00 1.71 1.81 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.88 4.23 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 V 7.80 4.14 2.18 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 0.73 0.00 0.00 1.00 0.00 0.00 62 F 8.07 4.79 0.00 3.07 2.36 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 63 K 9.20 4.26 0.00 1.87 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.55 7.81 64 Q 8.43 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 7.87 3.87 1.21 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 0.00 0.00 0.00 0.00 0.00 66 V 7.64 3.45 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 0.83 0.00 0.00 0.83 0.00 0.00 67 E 7.70 4.01 0.00 1.98 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 0.00 2.29 2.35 0.00 68 N 7.65 4.53 0.00 2.56 2.69 0.00 0.00 6.86 9.01 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 69 V 7.36 4.07 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 0.73 0.00 0.00 0.85 0.00 0.00 70 K 7.51 4.49 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 71 P 0.00 4.60 0.00 2.22 2.07 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 72 R 8.48 4.55 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 73 M 7.48 4.93 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 74 E 8.21 4.66 0.00 2.07 1.97 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 2.20 2.30 0.00 75 V 8.29 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 76 R 8.08 4.52 0.00 2.05 1.82 0.00 3.49 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 77 S 8.11 4.61 0.00 3.78 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 78 R 8.05 4.38 0.00 1.74 1.70 0.00 3.51 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 79 R 8.39 4.51 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 V 7.78 4.30 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 0.87 0.00 0.00 0.98 0.00 0.00 81 G 7.39 4.92 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 82 G 7.43 5.01 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 0.00 0.00 0.00 83 A 7.41 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.98 4.72 0.00 2.54 2.54 0.00 0.00 6.72 7.54 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 85 Y 8.26 5.00 0.00 2.97 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 86 Q 9.17 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 87 V 8.43 4.25 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 0.38 0.00 0.00 0.70 0.00 0.00 88 P 0.00 4.83 0.00 2.23 2.29 0.00 4.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 89 M 8.27 4.59 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 90 E 9.14 3.86 0.00 2.01 2.01 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 2.35 2.37 0.00 91 V 8.30 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 0.94 0.00 0.00 1.08 0.00 0.00 92 S 8.19 4.87 0.00 4.01 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 93 P 0.00 4.30 0.00 2.29 2.36 0.00 3.75 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 2.08 2.03 0.00 94 R 7.99 3.81 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 95 R 7.87 4.21 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 Q 7.79 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 97 Q 7.68 3.96 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 98 S 7.94 4.26 0.00 3.91 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 99 L 8.69 4.09 0.00 1.75 1.85 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.27 4.29 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 0.00 101 L 7.66 4.11 0.00 1.21 0.13 1.01 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.44 3.71 0.00 1.84 1.81 0.00 2.62 0.00 0.00 2.80 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 103 W 8.47 4.39 0.00 3.38 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 0.00 104 L 7.23 4.00 0.00 1.47 1.84 0.39 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.26 3.78 2.22 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 0.97 0.00 0.00 1.28 0.00 0.00 106 Q 8.07 4.19 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 107 A 8.53 4.54 1.49 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 0.00 108 A 8.35 4.67 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 0.00 109 N 7.32 4.88 0.00 2.74 2.72 0.00 0.00 6.92 6.97 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 0.00 110 Q 7.69 4.39 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 111 R 7.77 4.69 0.00 1.82 1.77 0.00 3.17 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 112 P 0.00 5.01 0.00 2.18 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 113 E 7.47 4.81 0.00 1.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 114 R 8.21 4.62 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 8.65 4.02 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 116 A 8.72 3.92 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 0.00 117 A 7.91 4.28 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 0.00 118 V 7.76 3.51 2.18 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 1.10 0.00 0.00 0.92 0.00 0.00 119 R 7.75 3.93 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 120 I 8.42 3.75 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.82 0.00 0.00 121 A 7.87 4.21 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 0.00 122 H 8.13 4.46 0.00 3.32 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.16 4.65 0.00 2.29 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 2.35 2.27 0.00 124 L 8.73 3.91 0.00 1.61 1.72 0.92 -0.11 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 0.00 125 M 7.99 4.18 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 126 D 7.98 4.86 0.00 3.02 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 0.00 127 A 7.95 4.74 1.21 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 0.00 0.00 0.00 0.00 0.00 128 A 7.64 4.57 1.14 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 0.00 129 E 8.50 3.82 0.00 1.95 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 2.30 2.25 0.00 130 G 6.66 4.96 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 0.00 131 K 7.65 4.51 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.37 7.81 132 G 8.10 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 0.00 0.00 0.00 133 G 8.86 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 0.00 0.00 0.00 134 A 8.06 4.18 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 0.00 135 V 8.36 3.32 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 0.91 0.00 0.00 0.79 0.00 0.00 136 K 8.24 3.78 0.00 1.93 1.73 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 137 K 8.68 4.91 0.00 2.77 2.26 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 138 K 8.10 3.62 0.00 0.79 1.44 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.05 7.81 139 E 8.45 4.78 0.00 2.10 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 2.26 2.24 0.00 140 D 7.85 4.36 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.90 3.69 2.39 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 1.16 0.00 0.00 1.34 0.00 0.00 142 E 8.07 4.08 0.00 2.22 1.97 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 2.31 2.65 0.00 143 R 7.93 4.13 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 144 M 7.59 4.47 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 145 A 7.48 4.59 1.08 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 0.00 0.00 146 E 9.46 3.64 0.00 2.10 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 2.26 2.19 0.00 147 A 8.90 4.50 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 0.00 148 N 8.22 4.25 0.00 2.72 2.81 0.00 0.00 6.69 7.40 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 0.00 149 R 7.68 3.78 0.00 1.79 1.96 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 150 A 7.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.29 4.66 0.00 3.33 2.88 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 0.00 152 A 7.53 4.51 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 0.00 153 H 8.47 4.21 0.00 3.26 3.38 0.00 5.53 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 0.00 154 Y 7.32 4.27 0.00 2.58 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 0.00 0.00 0.00 0.00 155 R 8.24 4.44 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 156 W 7.93 3.98 0.00 3.59 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