NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1714 8.1727 122.0512 56.3001 34.1314 174.0723 2 V 4.5578 8.1660 127.0284 60.7550 32.1951 174.5649 3 F 4.3879 9.9588 128.9747 57.5555 40.2091 174.9264 4 E 4.2679 8.9606 121.0813 55.6102 30.9967 176.9837 5 R 3.3104 8.9147 121.6548 60.6290 29.9846 179.5923 6 C 4.3569 8.0099 115.2989 59.5755 39.0106 175.7595 7 E 3.9046 8.0713 120.8270 59.2310 29.2916 178.4423 8 L 3.6279 7.9960 120.1575 57.8267 42.0297 178.6673 9 A 3.9450 7.8742 120.7587 55.3998 18.3417 179.9166 10 R 3.9115 8.0835 116.4694 59.5167 30.2051 179.5131 11 T 3.8555 7.8462 115.6713 66.6401 68.4683 176.7904 12 L 3.8779 8.1283 121.3065 57.4973 41.5981 179.4774 13 K 3.9043 8.0142 119.7007 59.5493 31.9398 178.9177 14 R 3.9671 7.8212 117.8476 58.8612 30.0347 177.4693 15 L 4.3730 7.4196 116.1341 54.1226 41.7885 176.8642 16 G 3.8353 7.8462 106.9396 46.8688 0.0000 174.9868 17 M 3.8992 7.7886 120.8156 56.1273 32.4317 175.7897 18 D 4.4358 7.9491 118.0339 55.8957 41.0621 175.8315 19 G 3.9598 9.3040 115.7933 45.2928 0.0000 171.4134 20 Y 4.2507 8.1536 121.7269 58.8403 38.9654 176.4012 21 R 3.5913 8.9889 126.7955 57.2967 27.8097 177.1515 22 G 3.7810 8.1411 102.8120 45.8083 0.0000 174.0642 23 I 4.0413 7.6521 121.4451 58.9168 37.7703 175.4511 24 A 4.4863 8.2994 128.8833 51.7060 19.3000 177.4843 25 L 4.2117 9.0326 122.8538 58.7389 42.0705 179.7835 26 A 4.2023 8.2208 119.7187 55.3278 18.2219 179.2160 27 N 4.4732 8.4638 115.2999 56.2315 38.5892 177.7027 28 W 4.2067 8.0139 120.0189 59.8120 29.1842 178.4184 29 M 4.2057 8.3223 118.8743 58.5954 31.4752 177.9115 30 C 3.2351 8.0562 118.6026 59.0952 44.6750 175.3777 31 L 3.9412 8.1296 121.6767 58.2690 41.7462 178.8691 32 A 4.1792 8.3393 120.7560 54.9277 18.4058 179.5093 33 K 2.7967 8.0910 118.1887 59.2137 32.0149 179.0538 34 W 4.3431 7.6432 117.4522 59.0875 29.1278 178.3772 35 E 4.3332 8.3308 118.6295 58.6174 29.3540 177.7292 36 S 4.5285 7.8006 109.4583 56.5475 64.5991 174.3168 37 G 3.2579 8.0490 108.4622 47.0413 0.0000 173.3229 38 Y 3.6693 7.6270 113.1991 58.6759 35.0234 168.7711 39 N 5.3250 7.6223 117.7959 51.9741 40.1428 175.5430 40 T 4.1568 8.9153 117.1388 63.7000 69.2381 175.9197 41 R 4.5049 8.0060 117.1677 55.6324 30.0594 176.1798 42 A 4.3301 7.6523 121.6962 52.7861 19.2541 177.1081 43 T 5.0143 8.3636 111.2183 60.1341 72.5562 173.2230 44 N 4.8381 8.6581 122.0555 52.6041 41.9758 172.5367 45 Y 4.6180 8.7933 128.1632 57.3895 40.7996 173.9155 46 N 4.5990 8.4902 124.6908 51.0419 38.6678 175.0851 47 A 3.6795 8.3427 127.3489 54.8485 18.8667 179.2401 48 G 3.7641 8.0682 104.0298 48.1205 0.0000 173.7712 49 D 4.7086 7.4128 114.8519 51.9929 40.2465 175.6662 50 R 3.9278 8.1490 116.2441 56.9517 28.2108 175.8739 51 S 4.9611 7.6735 111.9667 57.1401 66.2375 172.8456 52 T 5.0862 8.8067 116.2065 61.9581 72.6717 172.7431 53 D 5.3697 8.9690 125.3989 53.2864 43.1134 175.0757 54 Y 4.8957 9.2832 121.1151 57.4409 41.6237 177.2410 55 G 4.0940 9.0900 111.9137 45.3316 0.0000 173.4684 56 I 3.8456 8.1687 116.7666 62.8717 37.8034 177.0473 57 F 4.7762 7.9401 115.5407 56.4271 39.9186 175.2647 58 Q 3.6006 8.0066 119.2323 57.0941 26.5002 173.8568 59 I 4.4669 8.2409 119.0819 60.8243 39.3565 176.7946 60 N 5.3744 9.2419 126.3922 53.4455 39.6990 175.7195 61 S 4.6987 9.1841 120.8633 60.2498 63.2683 175.4523 62 R 3.7826 9.0336 122.5352 58.6222 30.3348 177.7080 63 Y 4.3058 7.8191 114.5244 57.7266 40.7211 177.1621 64 W 4.7015 8.1175 119.0530 57.6557 30.0130 173.6311 65 C 5.6046 7.9250 110.5788 53.4705 45.8373 171.8170 66 N 5.1614 8.8615 119.5189 52.1738 39.6206 174.7923 67 D 4.8310 8.5407 123.1198 52.2313 40.4451 178.2783 68 G 4.0733 8.4695 109.0000 46.1629 0.0000 174.7903 69 K 4.3813 8.0189 116.4004 56.7260 33.1718 176.0645 70 T 4.4087 7.4811 116.4561 61.5952 69.0852 173.1039 71 P 4.2564 0.0000 0.0000 63.8007 32.0356 176.2254 72 G 3.9137 8.4451 108.4578 46.4748 0.0000 172.7489 73 A 4.6996 7.6993 118.2730 50.3999 21.1231 177.7618 74 V 4.3032 8.3921 112.9733 59.2103 35.3236 175.8164 75 N 4.9832 8.0344 117.8239 51.8426 37.5439 174.4832 76 A 3.9431 8.8730 124.7765 54.9219 19.1315 178.4671 77 C 4.4873 8.4780 111.2121 57.2853 41.1140 173.0250 78 H 4.0775 7.9224 116.4320 56.5704 26.3574 174.1106 79 L 4.8195 8.2500 117.4585 52.9617 46.5047 176.5676 80 S 4.6663 8.3530 115.2252 57.9123 63.3570 176.0314 81 C 4.1464 8.6450 124.0480 59.6151 39.4738 176.3464 82 S 3.9256 7.7985 114.6607 61.3462 61.6594 175.9907 83 A 4.1187 7.8800 122.3052 54.4288 17.9644 177.9534 84 L 4.4246 7.7597 116.2875 55.1234 41.8351 177.6314 85 L 5.2626 7.7328 116.8316 53.7645 42.2133 176.6270 86 Q 4.4015 7.7452 117.9832 55.2336 29.6550 175.8541 87 D 4.4010 8.4939 119.2441 56.9379 41.1352 176.6453 88 N 4.6168 8.0300 118.1307 52.9312 38.9684 174.5490 89 I 4.1961 8.4361 119.1826 61.1295 37.9210 177.0032 90 A 3.9380 8.4121 124.9667 56.0277 18.1876 180.1893 91 D 4.2985 8.0753 116.4589 57.3683 40.9027 178.6222 92 A 4.0915 7.9908 120.8781 55.1940 18.4003 179.7436 93 V 3.4044 8.1840 116.8226 66.0273 31.4811 178.0558 94 A 3.8505 7.9434 120.5561 55.3269 18.0823 178.8490 95 C 4.2240 8.3988 116.7289 59.6712 37.9937 175.6177 96 A 3.8917 8.2265 122.5852 55.0587 17.6160 179.7895 97 K 3.8316 7.7096 116.4654 59.3326 32.2607 179.2774 98 R 4.0598 7.6068 119.1739 59.3016 29.9315 178.5172 99 V 2.2717 7.5166 118.2563 65.8091 31.0628 178.0040 100 V 3.8737 7.6413 109.5560 62.7842 31.3138 178.1271 101 R 4.1820 7.7347 117.7177 57.4170 30.4951 176.6263 102 D 4.6868 7.3533 119.3097 52.7661 41.6753 175.2668 103 P 4.2253 0.0000 0.0000 66.3498 31.1953 177.8156 104 Q 3.9981 8.1524 117.1299 56.3835 29.9299 177.1599 105 G 3.6692 8.0709 107.3781 46.6822 0.0000 175.4801 106 I 3.5383 7.7768 118.9561 63.5853 37.9672 178.2107 107 R 4.2461 7.3103 117.3120 57.9101 29.9345 177.5479 108 A 3.8992 7.7314 120.8806 53.8171 18.6795 177.3578 109 W 4.7358 7.9925 116.8525 55.0921 30.2006 177.4393 110 V 3.7408 8.6834 123.6211 65.9445 30.8875 177.6406 111 A 4.0659 8.2828 120.2388 54.7016 18.1198 179.2455 112 W 3.9357 8.4127 127.0496 60.6435 30.5809 178.4451 113 R 3.6744 8.1362 116.4214 59.2830 29.6618 178.3987 114 N 4.3520 7.9333 115.0426 55.6781 38.7160 176.8663 115 R 4.1196 7.7013 115.8354 55.8603 31.7204 175.9464 116 C 4.5454 7.6058 115.5334 57.8062 42.5760 174.4216 117 Q 3.3287 6.4744 119.0254 57.3339 28.6730 175.6156 118 N 4.1959 8.7011 120.0200 53.9867 36.1500 173.7737 119 R 4.4250 7.3547 116.5378 54.1977 32.5517 175.7429 120 D 4.5786 8.3790 118.8040 53.9390 40.3350 175.8199 121 V 4.5429 8.1788 118.9453 61.3807 32.4929 178.3779 122 R 4.0279 8.0067 120.6872 59.5174 29.4128 178.4658 123 Q 3.9504 8.2527 116.7545 59.9628 27.8477 178.7970 124 Y 4.0144 7.8208 116.9627 59.8475 38.2578 176.8953 125 V 4.3912 7.9131 110.8964 60.7108 33.2361 175.5959 126 Q 4.1523 7.4556 120.2494 57.2854 28.7792 177.0973 127 G 3.9605 8.9129 110.2087 45.9830 0.0000 174.6121 128 C 4.3951 7.9813 115.7821 57.0901 40.5714 174.2406 129 G 3.8550 8.1865 107.2162 46.4876 0.0000 174.0625 130 V 3.9922 7.8465 118.0724 61.0733 31.9434 175.8654 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 K 8.17 4.17 0.00 1.82 1.69 0.00 1.30 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.13 7.81 2 V 8.17 4.56 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.96 4.39 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.96 4.27 0.00 1.92 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 0.00 2.27 2.37 0.00 5 R 8.91 3.31 0.00 1.88 1.90 0.00 3.43 0.00 0.00 3.45 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 6 C 8.01 4.36 0.00 3.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.07 3.90 0.00 2.05 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 2.63 2.43 0.00 8 L 8.00 3.63 0.00 1.40 1.41 -0.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.95 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 10 R 8.08 3.91 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.85 3.86 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 1.19 0.00 0.00 12 L 8.13 3.88 0.00 1.59 1.58 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 3.90 0.00 1.95 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.82 3.97 0.00 2.00 2.06 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.42 4.37 0.00 1.67 1.55 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.85 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 0.00 0.00 0.00 17 M 7.79 3.90 0.00 1.28 1.94 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 18 D 7.95 4.44 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 19 G 9.30 3.96 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 20 Y 8.15 4.25 0.00 3.32 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 21 R 8.99 3.59 0.00 1.86 1.82 0.00 3.21 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 22 G 8.14 3.78 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 0.00 0.00 0.00 23 I 7.65 4.04 1.94 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.02 -0.07 0.00 0.00 24 A 8.30 4.49 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 25 L 9.03 4.21 0.00 2.07 1.80 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.20 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 0.00 0.00 0.00 0.00 0.00 27 N 8.46 4.47 0.00 2.70 2.73 0.00 0.00 6.90 7.19 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 28 W 8.01 4.21 0.00 3.53 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 29 M 8.32 4.21 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.06 3.24 0.00 2.51 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 31 L 8.13 3.94 0.00 1.85 1.81 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.34 4.18 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 0.00 0.00 0.00 0.00 0.00 33 K 8.09 2.80 0.00 1.40 1.71 0.00 0.74 0.00 0.00 1.23 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.93 0.21 7.81 34 W 7.64 4.34 0.00 3.33 3.23 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 35 E 8.33 4.33 0.00 2.02 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 2.56 2.39 0.00 36 S 7.80 4.53 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.05 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 0.00 0.00 0.00 38 Y 7.63 3.67 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.62 5.32 0.00 2.85 2.82 0.00 0.00 7.01 7.10 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 40 T 8.92 4.16 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 41 R 8.01 4.50 0.00 1.98 2.10 0.00 3.14 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 42 A 7.65 4.33 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 43 T 8.36 5.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 44 N 8.66 4.84 0.00 2.99 2.68 0.00 0.00 6.91 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 45 Y 8.79 4.62 0.00 3.06 2.83 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 46 N 8.49 4.60 0.00 2.64 2.59 0.00 0.00 6.63 7.22 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 47 A 8.34 3.68 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.07 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.41 4.71 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 50 R 8.15 3.93 0.00 2.03 2.19 0.00 3.13 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 51 S 7.67 4.96 0.00 3.92 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 52 T 8.81 5.09 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 0.66 0.00 0.00 53 D 8.97 5.37 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 54 Y 9.28 4.90 0.00 2.92 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 55 G 9.09 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 56 I 8.17 3.85 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.80 0.05 0.00 0.00 57 F 7.94 4.78 0.00 3.20 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 58 Q 8.01 3.60 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 59 I 8.24 4.47 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 1.16 0.00 0.00 60 N 9.24 5.37 0.00 3.12 3.10 0.00 0.00 6.97 7.48 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 61 S 9.18 4.70 0.00 4.07 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 0.00 62 R 9.03 3.78 0.00 1.55 1.29 0.00 2.58 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 63 Y 7.82 4.31 0.00 1.43 1.87 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 64 W 8.12 4.70 0.00 3.66 3.30 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 65 C 7.93 5.60 0.00 3.18 3.23 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 66 N 8.86 5.16 0.00 2.81 2.71 0.00 0.00 7.09 8.39 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 67 D 8.54 4.83 0.00 2.97 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 68 G 8.47 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 0.00 0.00 0.00 69 K 8.02 4.38 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.47 7.81 70 T 7.48 4.41 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 1.17 0.00 0.00 71 P 0.00 4.26 0.00 2.01 1.97 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.45 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 73 A 7.70 4.70 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 74 V 8.39 4.30 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 0.61 0.00 0.00 0.83 0.00 0.00 75 N 8.03 4.98 0.00 2.78 2.65 0.00 0.00 6.75 7.73 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 76 A 8.87 3.94 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 77 C 8.48 4.49 0.00 3.29 3.23 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 78 H 7.92 4.08 0.00 3.30 3.36 0.00 5.80 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 79 L 8.25 4.82 0.00 1.69 1.50 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.67 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.64 4.15 0.00 2.26 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 82 S 7.80 3.93 0.00 3.88 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 83 A 7.88 4.12 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 84 L 7.76 4.42 0.00 1.93 1.81 1.06 0.44 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 85 L 7.73 5.26 0.00 1.79 1.72 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.75 4.40 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 87 D 8.49 4.40 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.03 4.62 0.00 2.69 2.76 0.00 0.00 6.98 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 89 I 8.44 4.20 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.94 0.00 0.00 90 A 8.41 3.94 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 91 D 8.08 4.30 0.00 2.71 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 92 A 7.99 4.09 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 93 V 8.18 3.40 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 0.71 0.00 0.00 0.91 0.00 0.00 94 A 7.94 3.85 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 95 C 8.40 4.22 0.00 3.07 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 A 8.23 3.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.71 3.83 0.00 1.65 1.43 0.00 1.30 0.00 0.00 0.74 0.00 0.00 2.26 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.03 7.81 98 R 7.61 4.06 0.00 1.90 2.14 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 99 V 7.52 2.27 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 -0.24 0.00 0.00 -0.67 0.00 0.00 100 V 7.64 3.87 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 1.15 0.00 0.00 1.43 0.00 0.00 101 R 7.73 4.18 0.00 2.10 2.05 0.00 3.25 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 102 D 7.35 4.69 0.00 2.99 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 0.00 103 P 0.00 4.23 0.00 2.15 2.21 0.00 3.78 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 2.02 0.00 104 Q 8.15 4.00 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 8.07 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.78 3.54 0.98 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 -0.64 0.00 0.00 107 R 7.31 4.25 0.00 2.03 2.04 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.55 0.00 108 A 7.73 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.99 4.74 0.00 3.47 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 0.00 110 V 8.68 3.74 2.17 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.28 4.07 1.51 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 0.00 112 W 8.41 3.94 0.00 3.48 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 0.00 113 R 8.14 3.67 0.00 2.06 1.98 0.00 3.58 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 114 N 7.93 4.35 0.00 2.55 2.70 0.00 0.00 6.95 7.82 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 0.00 115 R 7.70 4.12 0.00 0.95 0.84 0.00 2.85 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.00 116 C 7.61 4.55 0.00 1.70 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 0.00 117 Q 6.47 3.33 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.56 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 118 N 8.70 4.20 0.00 2.81 2.85 0.00 0.00 6.93 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 0.00 119 R 7.35 4.43 0.00 1.89 1.84 0.00 3.24 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 120 D 8.38 4.58 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.18 4.54 2.35 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 1.00 0.00 0.00 1.05 0.00 0.00 122 R 8.01 4.03 0.00 2.02 2.02 0.00 3.31 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.25 3.95 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.21 1.66 0.00 124 Y 7.82 4.01 0.00 3.24 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 0.00 125 V 7.91 4.39 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 0.97 0.00 0.00 1.06 0.00 0.00 126 Q 7.46 4.15 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 127 G 8.91 3.96 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 0.00 128 C 7.98 4.40 0.00 3.08 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 0.00 129 G 8.19 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 0.00 0.00 0.00 130 V 7.85 3.99 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 0.75 0.00 0.00 0.96 0.00 0.00