NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9808 8.1976 109.7382 44.4031 0.0000 176.2066 -3 P 4.0664 0.0000 0.0000 64.7449 30.8354 175.5425 -2 L 4.2172 8.5741 117.1267 54.2163 43.3524 179.0397 -1 G 4.1462 8.0063 103.6777 45.8094 0.0000 174.4515 0 S 4.0732 8.6794 114.1789 61.5160 62.2842 176.4541 1 M 4.0015 7.9991 119.8610 58.7320 32.0884 177.8795 2 A 4.3070 7.8705 121.7515 54.5821 18.5154 179.2018 3 E 3.9288 8.3699 117.1148 59.7991 29.5130 179.6778 4 S 4.1649 8.2944 115.1762 61.7116 62.4896 176.6998 5 E 4.1239 8.4221 121.1366 59.4189 29.1766 179.2121 6 L 4.1049 8.3184 120.5974 58.4399 42.1006 178.8424 7 M 4.0619 8.4062 118.9659 58.5906 31.8679 178.0760 8 H 4.1053 8.5418 118.5103 59.5111 30.0000 177.2225 9 I 3.6922 7.9878 121.4313 64.6658 36.9129 177.8417 10 H 4.0087 8.5669 119.2479 59.2842 29.6094 177.1737 11 S 3.9641 8.4101 115.1675 61.3315 62.1394 176.0018 12 L 3.7326 8.1459 121.7835 57.6671 41.2336 179.4828 13 A 4.3712 8.3243 120.9050 55.3463 18.3854 179.5814 14 E 3.9426 8.5367 116.6521 59.8311 29.6308 179.0507 15 H 4.2298 8.4359 117.3926 58.7291 28.6391 177.1103 16 Y 4.0892 8.3045 121.5605 60.8374 38.6794 178.1530 17 L 3.7832 8.1972 120.0158 57.7736 41.5761 179.5572 18 Q 3.5955 8.1266 118.1835 58.6920 28.6231 178.1357 19 Y 3.8326 7.7939 120.5646 60.5798 38.6430 177.8566 20 V 3.2730 7.1352 117.9293 66.3130 31.6178 177.8418 21 L 3.9522 7.6003 115.8361 55.0497 42.1453 176.6588 22 Q 3.2402 7.3792 116.3430 56.6271 26.1158 174.3891 23 V 3.5589 7.6906 117.7053 61.6011 32.2216 173.1688 24 P 3.8753 0.0000 0.0000 63.0761 31.2307 176.0453 25 A 2.8174 7.8843 126.0643 50.9302 19.3075 176.4268 26 F 4.9201 7.0202 114.6063 58.1114 39.5532 175.1617 27 E 3.9942 8.1744 111.6839 57.1352 27.5989 176.1582 28 S 4.4337 7.3672 111.5876 58.0967 63.9629 174.0234 29 A 4.5500 8.0073 124.0306 48.7188 18.7477 173.9868 30 P 4.3243 0.0000 0.0000 62.7780 32.1075 177.8951 31 S 4.3461 8.3452 114.9270 58.1193 64.9217 174.9714 32 Q 3.9166 8.6843 122.6075 59.4691 28.5910 178.4148 33 A 4.1824 8.0725 121.0395 55.5049 18.3683 179.2443 34 C 3.9097 8.0859 115.0519 62.8783 28.2035 176.3635 35 R 3.7200 8.0721 120.3409 59.3498 29.6572 178.7664 36 V 3.5374 8.1042 118.3860 65.7533 31.5689 177.5975 37 L 4.0024 8.3026 120.4332 58.3952 41.7433 178.7670 38 Q 4.0965 8.1450 118.1877 59.0794 28.4319 179.2578 39 R 3.9027 7.9796 119.3851 59.4872 30.2226 178.8114 40 V 3.5592 7.8742 117.8339 65.9452 31.5292 177.9195 41 A 3.9593 8.4367 120.8581 54.8111 18.0089 179.4610 42 F 4.8196 8.5545 120.9969 61.2302 39.7124 177.6133 43 S 4.0762 8.0399 114.0109 61.2796 62.7685 176.6941 44 V 3.5776 7.9719 121.9111 65.7832 31.3314 177.5455 45 Q 4.0665 8.5568 119.7995 59.4622 28.7706 178.8189 46 K 3.8955 7.8873 119.2492 59.2865 31.9410 178.9275 47 E 3.9065 8.0756 119.3945 59.1630 29.5365 178.9563 48 V 3.6035 8.3524 118.5412 66.2560 31.4066 177.9085 49 E 3.9674 8.3560 117.2425 59.0889 29.1266 179.1155 50 K 4.0628 8.4147 120.0357 59.7889 32.1817 178.7919 51 N 4.4574 8.3255 115.5721 55.3124 38.5875 176.5262 52 L 4.8982 7.8485 118.6218 54.3330 42.3077 178.0002 53 K 3.8021 7.6849 123.0572 59.9731 31.7621 178.8690 54 S 4.0405 7.8383 112.5058 61.4195 63.1536 175.7953 55 Y 4.3124 7.5393 119.7646 61.0854 37.9332 177.9622 56 L 3.1955 8.2280 120.1143 57.4014 41.3900 179.2152 57 D 4.4765 8.3138 118.4880 56.4706 40.7415 176.8206 58 D 4.8306 7.7149 116.9584 53.8059 41.4444 176.6471 59 F 4.4507 8.0923 119.2391 57.9124 39.3518 175.4057 60 H 4.8704 8.4112 121.7222 54.0759 28.9132 173.3497 61 V 4.1361 7.7808 125.1246 61.2584 30.0404 175.7351 62 E 4.3446 8.1674 120.0657 56.8342 31.0204 177.5310 63 S 4.6822 7.4900 113.6622 55.9666 67.2847 174.7246 64 I 3.8105 8.3495 123.0513 64.8043 36.8333 178.4542 65 D 4.3486 8.0712 119.1778 57.6273 40.6272 178.7763 66 T 3.8364 8.0426 116.0938 66.4859 68.3493 176.4455 67 A 4.0440 8.1586 122.7202 55.2319 18.3488 179.7172 68 R 2.8020 8.0067 117.0588 59.1648 30.0978 178.7573 69 I 3.6255 7.7237 119.5713 64.4666 37.0545 178.4927 70 I 3.6503 7.9587 120.7540 64.2319 36.8655 177.9791 71 F 4.3741 8.5635 121.8215 61.7935 39.2324 176.9680 72 N 4.1301 8.4126 115.8400 56.3686 38.3372 177.5341 73 Q 3.9466 8.0980 119.4365 58.8088 28.7014 179.0036 74 V 3.3922 7.9290 119.4569 66.1407 31.5289 177.8154 75 M 3.8395 7.7691 118.7597 58.4414 31.1807 178.4464 76 E 4.0276 8.0961 118.4352 59.6567 29.4600 179.7845 77 K 3.7987 7.5691 116.5732 59.1618 32.1282 178.8438 78 E 3.8407 8.1984 119.2113 58.7342 29.7780 178.1073 79 F 4.6138 8.0105 115.9585 57.1646 39.1096 177.1387 80 E 3.9212 7.4788 122.6732 59.3857 29.3347 177.7823 81 D 4.4430 7.9956 115.0036 53.5466 40.0014 177.0932 82 G 3.9350 8.2355 108.4061 45.6760 0.0000 173.4081 83 I 4.1295 7.8341 120.9618 60.2656 37.9224 175.3533 84 I 4.3664 7.9590 125.6209 59.1891 39.7338 174.9251 85 N 4.1556 7.6474 120.6818 50.0800 41.4782 175.5002 86 W 4.7651 8.8664 120.2943 59.9237 29.0341 178.8388 87 G 3.9740 8.5762 105.2562 48.2299 0.0000 175.7862 88 R 4.0263 8.4144 119.6811 58.7761 30.3691 178.8016 89 I 4.0711 8.0258 119.7304 64.6572 37.2163 178.4440 90 V 4.0014 8.4924 119.2576 66.5141 31.2532 178.1582 91 T 4.0907 8.0196 108.9237 64.5488 68.4822 176.7009 92 I 3.9189 7.9186 123.0297 64.4427 37.2043 178.1825 93 F 4.2340 8.3325 117.8478 60.6100 38.7661 177.3930 94 A 4.2835 8.3799 120.3190 55.4225 18.1696 179.5424 95 F 4.4235 9.0524 119.6933 61.0564 39.4249 177.4485 96 G 3.8725 8.6654 105.9428 47.9668 0.0000 175.8186 97 G 4.0335 8.3917 109.7614 46.7845 0.0000 175.8692 98 V 3.5771 7.9437 120.6848 65.8942 31.5371 178.0930 99 L 3.9536 7.7357 118.7719 57.7572 41.3328 179.3954 100 L 3.9910 7.9826 120.2646 57.9730 41.9665 179.1302 101 K 3.9547 8.2481 118.6361 59.3809 31.9809 179.5086 102 K 3.9948 8.1376 118.7985 59.1966 31.9087 179.0877 103 L 4.2883 8.2476 122.3965 57.5398 42.0336 178.8560 104 K 3.8714 8.3053 119.7453 59.5925 31.8647 178.2620 105 Q 3.9767 8.0182 118.6710 59.4815 29.0185 178.0837 106 E 4.1640 8.1609 118.2370 59.1337 29.7030 178.5634 107 Q 4.1798 8.2326 115.7691 55.7443 29.1455 176.5230 108 I 3.6300 7.9305 125.1660 61.2097 36.2628 173.4840 109 A 4.7305 7.5500 119.9887 50.1134 21.4694 175.7200 110 L 4.3849 8.4302 122.3121 54.0716 43.0812 175.9035 111 D 4.8545 8.0590 119.8283 51.5120 41.9910 177.5603 112 V 2.8206 8.1155 118.3143 65.8144 31.2545 177.7053 113 S 3.9684 7.3559 110.7214 61.3471 62.4952 176.6434 114 A 3.9306 7.9725 124.3528 55.1986 18.2215 179.2844 115 Y 4.1262 7.6098 115.8077 60.0432 38.1859 178.2521 116 K 4.0237 7.5920 120.2633 59.4316 32.1354 179.3486 117 Q 3.9921 8.0928 118.3569 58.7772 28.5915 178.8568 118 V 2.0110 7.5904 119.5927 65.4129 31.5491 178.2462 119 S 3.8968 7.9435 114.0635 61.2588 62.6148 176.5711 120 S 4.0625 7.7361 116.8364 61.2228 62.2758 176.1899 121 F 4.3365 7.8795 117.4722 59.7077 37.6244 177.5479 122 V 3.2821 7.3282 118.7462 65.7899 31.2003 177.9393 123 A 4.0250 7.9922 120.3738 55.2058 18.1363 179.4682 124 E 3.9681 8.5302 117.2951 59.3346 29.4303 179.2922 125 F 4.0536 8.5207 120.6860 61.4473 39.4992 177.1021 126 I 3.6785 8.0911 119.3513 64.6549 37.0007 178.1665 127 M 4.0366 8.3070 119.0049 58.7079 31.9202 177.8050 128 N 4.2248 8.0985 116.0462 56.4502 39.2106 175.8773 129 N 4.4162 7.7854 116.5037 54.0029 39.3493 175.8317 130 T 4.4886 7.8396 107.5727 60.2921 70.3362 175.9020 131 G 3.6205 8.1446 110.6033 48.0634 0.0000 175.6381 132 E 3.9326 8.0716 121.1806 58.6740 29.8166 178.2808 133 W 4.1906 8.0682 129.2799 59.8737 30.6121 177.6305 134 I 3.3360 8.1126 119.8078 64.2851 36.3357 178.2035 135 R 3.8448 7.9435 119.2624 59.7815 29.7435 178.6463 136 Q 3.9561 8.2557 117.4333 57.6419 28.4416 177.1692 137 N 4.3683 7.6781 117.8898 52.6838 38.6615 176.1864 138 G 3.9696 7.7518 106.8503 44.1592 0.0000 176.0636 139 G 4.3603 8.2187 109.2560 45.4435 0.0000 174.1572 140 W 4.2338 8.8817 119.1512 60.2703 29.5229 179.1671 141 E 4.2466 8.4598 113.0395 57.7224 29.6177 178.6662 142 D 4.7897 7.9187 115.1404 55.2514 42.7198 177.5817 143 G 4.2110 7.5316 106.7825 46.1353 0.0000 175.4424 144 F 2.7302 7.9403 122.5591 60.0975 39.4893 177.7770 145 I 3.6304 7.7099 119.2530 64.3630 36.6993 178.6943 146 K 3.9499 7.8164 117.6778 58.9108 31.9225 178.9941 147 K 3.7773 7.6899 119.6154 58.9558 32.1789 178.1103 148 F 4.6136 7.3185 114.7696 57.2008 41.3202 175.9350 149 E 4.6576 8.1502 118.8199 53.9223 29.6126 173.0400 150 P 4.3851 0.0000 0.0000 62.9472 31.3877 177.1138 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 -4 G 8.20 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 0.00 0.00 0.00 -3 P 0.00 4.07 0.00 2.28 2.21 0.00 3.88 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 2.00 2.06 0.00 -2 L 8.57 4.22 0.00 1.79 1.77 0.95 1.16 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 -1 G 8.01 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 0.00 0.00 0.00 0 S 8.68 4.07 0.00 3.91 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 1 M 8.00 4.00 0.00 2.15 2.06 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 2.71 2.64 0.00 2 A 7.87 4.31 1.41 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 0.00 0.00 3 E 8.37 3.93 0.00 2.31 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 2.35 2.38 0.00 4 S 8.29 4.16 0.00 4.07 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 5 E 8.42 4.12 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 6 L 8.32 4.10 0.00 1.87 1.87 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.41 4.06 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 8 H 8.54 4.11 0.00 3.42 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.99 3.69 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.88 1.12 0.00 0.00 10 H 8.57 4.01 0.00 3.39 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.41 3.96 0.00 3.91 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 12 L 8.15 3.73 0.00 1.58 1.16 -0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.32 4.37 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 0.00 0.00 0.00 0.00 0.00 14 E 8.54 3.94 0.00 2.27 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 0.00 2.58 2.41 0.00 15 H 8.44 4.23 0.00 3.32 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.30 4.09 0.00 2.95 3.10 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 0.00 0.00 0.00 17 L 8.20 3.78 0.00 1.74 1.63 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.13 3.60 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.62 2.16 0.00 19 Y 7.79 3.83 0.00 2.93 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 20 V 7.14 3.27 1.91 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 0.83 0.00 0.00 0.41 0.00 0.00 21 L 7.60 3.95 0.00 1.49 1.58 0.87 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 22 Q 7.38 3.24 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 23 V 7.69 3.56 1.78 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 0.67 0.00 0.00 0.44 0.00 0.00 24 P 0.00 3.88 0.00 2.06 1.98 0.00 3.69 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 2.03 2.07 0.00 25 A 7.88 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.02 4.92 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.17 3.99 0.00 2.08 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 2.24 2.34 0.00 28 S 7.37 4.43 0.00 4.24 4.10 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 0.00 0.00 0.00 29 A 8.01 4.55 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.32 0.00 2.12 1.99 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 31 S 8.35 4.35 0.00 4.09 4.05 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 0.00 0.00 0.00 0.00 32 Q 8.68 3.92 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 A 8.07 4.18 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 34 C 8.09 3.91 0.00 3.17 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 35 R 8.07 3.72 0.00 1.89 2.01 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 36 V 8.10 3.54 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 0.77 0.00 0.00 0.99 0.00 0.00 37 L 8.30 4.00 0.00 1.45 1.57 0.27 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.14 4.10 0.00 2.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 39 R 7.98 3.90 0.00 1.84 2.03 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 40 V 7.87 3.56 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 0.57 0.00 0.00 0.69 0.00 0.00 41 A 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.55 4.82 0.00 3.64 3.49 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 43 S 8.04 4.08 0.00 4.08 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 0.00 44 V 7.97 3.58 2.26 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 0.88 0.00 0.00 1.05 0.00 0.00 45 Q 8.56 4.07 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 46 K 7.89 3.90 0.00 1.84 1.72 0.00 1.53 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.16 1.10 7.81 47 E 8.08 3.91 0.00 2.07 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 0.00 2.32 2.33 0.00 48 V 8.35 3.60 2.33 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 1.12 0.00 0.00 1.03 0.00 0.00 49 E 8.36 3.97 0.00 2.08 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 2.34 2.48 0.00 50 K 8.41 4.06 0.00 1.77 1.85 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 51 N 8.33 4.46 0.00 2.81 2.90 0.00 0.00 7.02 8.69 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 52 L 7.85 4.90 0.00 1.88 1.79 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.68 3.80 0.00 2.06 1.79 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.44 7.81 54 S 7.84 4.04 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.54 4.31 0.00 3.17 3.06 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 56 L 8.23 3.20 0.00 1.51 1.45 0.87 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.31 4.48 0.00 2.65 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 58 D 7.71 4.83 0.00 2.93 2.79 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 59 F 8.09 4.45 0.00 3.07 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 60 H 8.41 4.87 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.78 4.14 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 1.09 0.00 0.00 1.08 0.00 0.00 62 E 8.17 4.34 0.00 2.14 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 0.00 2.25 2.24 0.00 63 S 7.49 4.68 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.35 3.81 1.92 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 1.69 0.72 1.08 0.00 0.00 65 D 8.07 4.35 0.00 2.68 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 66 T 8.04 3.84 4.40 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 1.29 0.00 0.00 67 A 8.16 4.04 1.56 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 68 R 8.01 2.80 0.00 1.43 1.83 0.00 2.85 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 0.00 69 I 7.72 3.63 1.96 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 1.48 0.82 0.87 0.00 0.00 70 I 7.96 3.65 1.90 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 1.19 0.68 0.90 0.00 0.00 71 F 8.56 4.37 0.00 3.37 3.24 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 72 N 8.41 4.13 0.00 2.83 2.85 0.00 0.00 7.13 7.41 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 73 Q 8.10 3.95 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 74 V 7.93 3.39 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 0.36 0.00 0.00 0.94 0.00 0.00 75 M 7.77 3.84 0.00 1.20 1.44 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 1.00 1.14 0.00 76 E 8.10 4.03 0.00 2.19 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 2.37 2.58 0.00 77 K 7.57 3.80 0.00 1.74 1.76 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.50 7.81 78 E 8.20 3.84 0.00 1.62 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 79 F 8.01 4.61 0.00 3.34 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 80 E 7.48 3.92 0.00 1.94 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 2.32 2.38 0.00 81 D 8.00 4.44 0.00 2.78 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 82 G 8.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.83 4.13 1.82 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 1.29 0.59 0.86 0.00 0.00 84 I 7.96 4.37 0.89 0.00 0.00 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 1.25 0.46 -0.15 0.00 0.00 85 N 7.65 4.16 0.00 2.98 2.82 0.00 0.00 6.27 8.88 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 86 W 8.87 4.77 0.00 3.63 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 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 0.00 0.00 0.00 88 R 8.41 4.03 0.00 1.99 2.06 0.00 3.20 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 89 I 8.03 4.07 2.42 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 1.46 0.00 0.00 90 V 8.49 4.00 2.43 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 1.07 0.00 0.00 1.15 0.00 0.00 91 T 8.02 4.09 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 1.31 0.00 0.00 92 I 7.92 3.92 2.02 0.00 0.00 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 1.84 1.49 1.17 0.00 0.00 93 F 8.33 4.23 0.00 3.15 2.86 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 94 A 8.38 4.28 1.54 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 95 F 9.05 4.42 0.00 3.21 3.28 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 96 G 8.67 3.87 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 0.00 0.00 0.00 97 G 8.39 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 98 V 7.94 3.58 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 0.93 0.00 0.00 1.16 0.00 0.00 99 L 7.74 3.95 0.00 1.78 1.71 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.98 3.99 0.00 1.87 1.64 0.94 0.88 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 0.00 101 K 8.25 3.95 0.00 2.08 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 102 K 8.14 3.99 0.00 1.99 1.92 0.00 1.81 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.65 7.81 103 L 8.25 4.29 0.00 1.87 1.86 1.01 0.43 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 0.00 104 K 8.31 3.87 0.00 1.86 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 105 Q 8.02 3.98 0.00 2.09 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 106 E 8.16 4.16 0.00 2.14 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 2.62 2.62 0.00 107 Q 8.23 4.18 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.83 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 108 I 7.93 3.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.92 0.00 0.00 109 A 7.55 4.73 1.20 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 0.00 110 L 8.43 4.38 0.00 1.73 1.65 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.06 4.85 0.00 2.76 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 0.00 112 V 8.12 2.82 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 0.73 0.00 0.00 0.94 0.00 0.00 113 S 7.36 3.97 0.00 4.08 4.04 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 0.00 0.00 0.00 114 A 7.97 3.93 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 0.00 115 Y 7.61 4.13 0.00 3.02 3.16 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 0.00 0.00 0.00 0.00 116 K 7.59 4.02 0.00 1.87 1.87 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.33 1.33 7.81 117 Q 8.09 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 118 V 7.59 2.01 1.85 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 0.63 0.00 0.00 0.91 0.00 0.00 119 S 7.94 3.90 0.00 4.07 4.16 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 0.00 0.00 0.00 0.00 120 S 7.74 4.06 0.00 4.13 4.07 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 0.00 121 F 7.88 4.34 0.00 3.15 3.27 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 0.00 122 V 7.33 3.28 1.85 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 0.84 0.00 0.00 0.35 0.00 0.00 123 A 7.99 4.02 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 0.00 124 E 8.53 3.97 0.00 2.27 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 2.61 2.56 0.00 125 F 8.52 4.05 0.00 3.51 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 0.00 126 I 8.09 3.68 2.06 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 1.10 0.00 0.00 127 M 8.31 4.04 0.00 2.16 2.13 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 2.62 2.64 0.00 128 N 8.10 4.22 0.00 2.82 2.63 0.00 0.00 7.27 8.22 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 0.00 129 N 7.79 4.42 0.00 1.79 2.18 0.00 0.00 6.84 8.38 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 0.00 130 T 7.84 4.49 4.07 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 0.84 0.00 0.00 131 G 8.14 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 0.00 132 E 8.07 3.93 0.00 2.09 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 2.37 2.41 0.00 133 W 8.07 4.19 0.00 3.32 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 0.00 134 I 8.11 3.34 2.03 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 1.03 0.71 0.73 0.00 0.00 135 R 7.94 3.84 0.00 1.97 2.04 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 136 Q 8.26 3.96 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 137 N 7.68 4.37 0.00 1.44 2.08 0.00 0.00 7.01 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.75 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 0.00 0.00 0.00 139 G 8.22 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 8.88 4.23 0.00 3.47 3.22 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 0.00 141 E 8.46 4.25 0.00 1.99 1.86 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 2.23 1.86 0.00 142 D 7.92 4.79 0.00 2.68 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 0.00 143 G 7.53 4.21 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 0.00 144 F 7.94 2.73 0.00 1.51 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 0.00 145 I 7.71 3.63 2.09 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 1.64 0.92 0.91 0.00 0.00 146 K 7.82 3.95 0.00 1.91 1.81 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.53 7.81 147 K 7.69 3.78 0.00 1.40 1.24 0.00 1.37 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.70 0.21 7.81 148 F 7.32 4.61 0.00 2.57 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 0.00 149 E 8.15 4.66 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 150 P 0.00 4.39 0.00 2.18 2.09 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00