NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6672 0.0000 0.0000 62.7538 33.4713 174.5872 2 I 4.9399 8.6377 122.5169 58.6098 38.4604 173.8579 3 M 4.9153 9.7933 124.4973 53.5407 35.6647 173.6016 4 L 4.8809 8.4386 120.2410 54.2995 43.2056 176.7875 5 R 4.3997 8.8917 123.0076 55.3916 33.3167 175.5598 6 G 3.9596 9.8522 111.7376 46.5001 0.0000 174.4366 7 G 3.9786 8.6628 108.4370 44.5412 0.0000 174.2018 8 R 4.7751 7.4576 117.9667 53.9960 33.6063 175.4234 9 Q 4.6239 8.6237 120.9566 56.2807 29.3303 175.5644 10 E 4.8527 9.5535 123.0148 54.6924 33.8314 173.8708 11 Y 5.1599 8.5246 122.6519 56.1334 41.4017 174.1814 12 E 4.4160 7.7780 124.4921 53.4194 33.6271 173.8176 13 P 4.2192 0.0000 0.0000 61.3179 32.2441 176.2022 14 V 3.4147 7.8867 119.0052 62.8868 32.0126 176.6325 15 G 3.9078 8.3986 113.4531 43.5115 0.0000 172.9096 16 P 4.4668 0.0000 0.0000 65.5406 31.2110 179.1249 17 G 3.5884 8.0272 105.2649 47.6391 0.0000 175.3706 18 L 4.1175 7.9135 122.5576 57.7369 42.1715 178.8042 19 I 3.8778 7.9653 119.6707 64.5280 37.1352 178.2167 20 A 4.0385 8.3196 121.3292 55.1500 18.2070 179.5968 21 A 4.0299 8.4066 119.4198 54.9548 18.4970 179.6280 22 W 4.2787 8.8464 127.3619 60.7682 30.7483 178.1797 23 L 3.7169 8.2502 118.9563 57.6784 40.9561 179.7021 24 K 3.8762 8.0642 118.4395 59.2393 31.9630 179.1313 25 Q 3.7007 7.7461 119.8218 59.0460 28.8637 178.6060 26 V 2.9822 6.9620 119.0441 65.8411 31.2574 177.7336 27 Q 4.0943 7.8573 118.2859 59.2331 28.9480 177.5231 28 E 3.9987 8.1281 119.5806 58.4972 29.7364 176.8610 29 H 4.5987 8.1700 113.3569 54.4687 31.1622 174.7190 30 G 3.5354 8.1033 106.8074 44.6906 0.0000 174.4595 31 L 3.5478 6.6304 123.0772 57.1858 42.3583 177.9853 32 T 4.4666 7.3996 106.1351 61.3276 69.3232 173.1677 33 H 4.4363 7.6061 120.9954 55.8820 31.6404 173.9983 34 P 4.2040 0.0000 0.0000 65.9570 31.2605 178.8215 35 A 4.1082 8.1433 118.7962 55.4788 18.2264 179.6987 36 T 3.9376 7.9238 113.9300 66.7061 68.5688 176.9394 37 I 3.8735 7.8809 121.8379 64.7221 37.1602 178.5101 38 T 3.9165 8.0826 116.5820 66.7979 68.3126 175.8652 39 Y 4.0268 8.3061 121.3386 60.8202 38.9537 177.9947 40 F 4.0076 9.1683 122.0675 61.1434 39.2202 177.1445 41 G 3.6089 8.1404 104.4089 47.7924 0.0000 175.5217 42 V 3.5907 7.5041 119.7665 65.6370 31.6999 177.9868 43 I 3.6110 7.1936 111.2141 62.8034 37.8166 177.1368 44 S 2.7900 6.7358 114.0993 57.3607 62.8239 175.3857 45 I 3.5369 7.2186 123.1300 63.7497 37.9184 175.5538 46 N 5.0706 7.9185 117.4464 52.7163 39.2384 174.0473 47 F 5.0673 8.0046 116.6682 56.8341 40.5101 177.0208 48 T 4.3787 8.7915 115.4645 61.0736 71.2265 176.2236 49 S 4.4571 8.4307 116.7140 61.6751 62.7221 177.1331 50 V 3.6723 7.6234 120.5881 65.9939 31.4643 177.5397 51 D 4.2581 8.1062 118.6189 57.4654 40.6287 178.9593 52 I 4.0086 8.0120 120.1112 64.7218 37.1350 178.3667 53 N 4.5380 8.5701 117.2999 56.2138 38.3981 177.1717 54 M 4.0498 8.1442 119.8329 58.8372 32.1650 178.3899 55 L 4.1741 7.7118 117.2795 57.6635 41.9387 179.1951 56 L 4.2928 8.1528 119.0310 58.0977 41.4140 179.4026 57 N 4.5348 8.5504 115.3555 55.7685 38.5875 177.0607 58 V 4.2132 7.6153 111.2761 61.0323 32.0668 176.2072 59 T 4.2056 7.4731 117.2871 62.5318 68.4937 172.7828 60 P 4.6038 0.0000 0.0000 62.4812 33.1791 177.6561 61 G 3.6891 8.4468 107.3591 46.7701 0.0000 173.0448 62 F 3.9481 8.3079 112.5713 56.6256 37.0512 177.7618 63 A 3.9783 8.2285 122.6263 55.2841 18.2512 179.4397 64 A 3.9351 7.9335 118.5479 55.4024 18.2705 179.5464 65 E 3.9167 8.1932 116.5391 59.4935 29.5963 179.3566 66 K 4.0105 8.8827 120.1997 59.6100 32.1939 178.5183 67 Q 4.0531 8.6547 122.6683 59.7898 29.0505 178.9910 68 L 4.0131 7.9255 123.4769 59.2956 40.9340 181.7380 69 V 3.7814 7.8933 119.1721 66.0665 31.4861 178.3178 70 I 3.7925 8.1508 119.9247 64.4034 36.8769 178.0992 71 D 4.3761 8.3935 120.0344 57.4001 40.6203 179.0833 72 K 4.0130 7.9251 118.5669 59.2822 32.0621 179.4468 73 I 3.6995 7.7743 120.2140 64.4306 36.9806 178.6171 74 K 4.0198 8.2746 119.3052 59.4334 31.8471 179.2742 75 E 3.9285 8.1625 118.9264 59.3421 29.2804 179.5555 76 K 3.6683 7.8814 118.2930 59.1318 31.9345 179.3327 77 A 3.7520 7.6375 120.9977 55.0446 18.4496 179.6957 78 I 3.6604 8.0745 118.5210 64.5028 37.1543 178.5098 79 A 3.9963 8.0542 121.5357 54.7779 18.2665 179.3733 80 W 4.1905 8.4595 127.1476 61.0367 30.6469 178.0491 81 D 4.4822 8.2924 117.2877 57.2015 40.2732 178.0635 82 E 4.0386 7.9140 118.9845 59.3050 29.7385 178.2243 83 M 4.2938 7.5883 116.4844 56.0231 33.1829 176.4057 84 H 4.5702 7.3073 115.1181 52.6436 29.6969 171.1771 85 P 4.4488 0.0000 0.0000 61.2992 32.1535 174.6587 86 P 4.5045 0.0000 0.0000 61.8957 32.1439 174.6738 87 P 4.5558 0.0000 0.0000 61.1497 32.0548 174.3625 88 P 4.3789 0.0000 0.0000 62.4211 31.9723 177.4822 89 A 4.0063 8.9021 126.3293 56.1307 18.1945 180.6571 90 D 4.9099 7.7482 111.9983 52.8402 40.6141 178.4583 91 A 4.3170 7.3939 122.5878 51.7482 19.4397 178.3872 92 A 4.0230 8.3941 123.5696 52.1953 18.9406 178.3474 93 G 3.8898 8.3010 111.3026 43.8229 0.0000 171.4016 94 P 4.3139 0.0000 0.0000 61.9602 31.6097 177.0769 95 V 3.7930 8.2195 117.5844 60.2933 31.9048 174.6504 96 P 4.5441 0.0000 0.0000 62.4853 31.9616 175.4418 97 L 4.9014 8.2117 119.3144 52.9376 44.6910 177.2787 98 T 4.5868 8.2326 111.5497 61.2816 71.1304 175.8464 99 S 4.2906 9.4118 117.1326 61.7572 62.8688 176.4264 100 D 4.3417 8.1912 121.9981 57.3507 40.6316 178.6123 101 Q 3.9652 8.1020 118.3768 59.0515 28.5243 178.8268 102 I 3.5314 7.6557 119.8413 64.1936 37.1628 177.9432 103 R 2.5777 7.7560 116.0366 55.4666 30.0756 177.2316 104 G 3.5795 7.4859 107.5790 45.8688 0.0000 173.3219 105 I 3.7700 7.6002 121.2697 61.9827 37.1864 176.5759 106 G 3.8652 8.8497 113.0390 45.7040 0.0000 172.5635 107 L 4.6012 7.1633 119.2922 52.8333 43.1690 177.5195 108 S 4.3489 8.8635 118.2628 57.4182 64.9542 173.8034 109 P 4.0014 0.0000 0.0000 65.6618 31.4916 178.5561 110 E 3.8695 7.9182 116.7720 59.3587 29.4858 178.9450 111 E 3.9415 8.1986 118.3799 59.5389 29.3888 179.4342 112 A 3.5865 7.7973 118.6200 53.9348 18.4240 178.3973 113 A 4.3677 7.1640 117.1095 51.3132 19.6448 177.6323 114 G 3.9065 7.4073 107.5519 44.0180 0.0000 173.4001 115 P 4.2321 0.0000 0.0000 65.3410 31.4886 179.0482 116 R 3.7058 7.9553 117.0876 58.4427 30.0625 176.7659 117 F 4.7590 8.1327 114.5403 57.0580 39.8074 177.0677 118 A 3.9778 8.0824 125.1223 55.5113 18.1413 180.0448 119 D 4.3125 8.0396 115.7648 57.2520 41.2579 178.0320 120 A 3.8149 7.8439 121.1799 55.1037 18.4958 179.6701 121 R 3.9736 8.2845 116.2680 59.0794 29.4690 179.2890 122 T 3.8213 7.5085 115.1960 66.3429 68.3597 176.4258 123 L 3.6964 7.8505 122.3360 58.0293 41.9350 178.3921 124 Y 3.7489 7.8835 119.8358 60.4709 38.6265 177.7334 125 R 3.7202 7.9386 119.6406 59.7247 30.0429 178.4660 126 T 3.8665 7.7579 115.3416 66.5402 68.4209 176.4497 127 W 4.4192 8.2629 120.8546 59.9159 29.0139 178.8067 128 V 3.5020 7.9490 118.2023 65.9962 30.8792 178.1088 129 L 4.0115 8.2168 119.0001 57.7655 41.4561 179.2865 130 E 3.9659 8.6761 118.7746 59.3287 29.1868 179.2974 131 A 3.9828 8.0021 119.7230 55.0839 18.7966 179.2722 132 L 4.0342 8.0853 117.7521 58.1244 41.7724 179.5247 133 Q 3.9996 8.3479 119.6195 59.3196 28.7796 177.9315 134 E 4.2680 8.2299 117.3392 57.9240 29.5620 177.2133 135 C 4.6815 7.4727 115.6345 59.1029 28.7185 173.4605 136 Q 4.1781 7.7787 123.7465 57.7192 28.9190 177.1203 137 R 4.4509 8.7330 127.3216 56.2705 30.6197 173.7162 138 T 4.1286 8.4224 120.8185 62.3037 69.1568 174.8568 139 I 3.8060 8.4611 127.5360 61.5676 37.7636 175.3048 140 S 4.8118 8.1709 117.3316 55.2973 66.1649 171.9000 141 P 4.2803 0.0000 0.0000 62.7677 31.4071 176.8901 142 L 4.3645 8.3472 125.2426 54.1909 42.8888 177.4080 143 E 4.1737 8.5165 114.7181 56.4115 29.6697 176.6164 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 P 0.00 4.67 0.00 2.12 2.37 0.00 3.31 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 2 I 8.64 4.94 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.95 0.00 0.00 3 M 9.79 4.92 0.00 1.99 2.08 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 2.44 2.63 0.00 4 L 8.44 4.88 0.00 1.55 1.64 0.92 0.83 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 5 R 8.89 4.40 0.00 1.77 1.76 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 6 G 9.85 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 7 G 8.66 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 8 R 7.46 4.78 0.00 1.79 1.81 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 9 Q 8.62 4.62 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 E 9.55 4.85 0.00 1.78 1.79 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 2.39 2.36 0.00 11 Y 8.52 5.16 0.00 3.04 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 12 E 7.78 4.42 0.00 1.55 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 2.07 2.25 0.00 13 P 0.00 4.22 0.00 2.09 2.05 0.00 3.16 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 14 V 7.89 3.41 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 0.81 0.00 0.00 0.38 0.00 0.00 15 G 8.40 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 16 P 0.00 4.47 0.00 2.29 2.34 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 17 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.91 4.12 0.00 1.84 1.88 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.97 3.88 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.62 1.03 0.00 0.00 20 A 8.32 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.03 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.85 4.28 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.25 3.72 0.00 1.88 1.67 1.00 0.90 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 24 K 8.06 3.88 0.00 2.02 1.80 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 25 Q 7.75 3.70 0.00 1.45 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.32 1.88 0.00 26 V 6.96 2.98 1.65 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 0.47 0.00 0.00 -0.52 0.00 0.00 27 Q 7.86 4.09 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 28 E 8.13 4.00 0.00 1.88 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 2.04 1.88 0.00 29 H 8.17 4.60 0.00 3.02 2.97 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.10 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 31 L 6.63 3.55 0.00 0.95 1.28 0.92 0.89 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 32 T 7.40 4.47 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 1.17 0.00 0.00 33 H 7.61 4.44 0.00 3.34 3.23 0.00 5.61 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 34 P 0.00 4.20 0.00 2.13 2.07 0.00 3.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 35 A 8.14 4.11 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 36 T 7.92 3.94 4.35 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 1.08 0.00 0.00 37 I 7.88 3.87 2.04 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 1.55 0.86 0.97 0.00 0.00 38 T 8.08 3.92 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 39 Y 8.31 4.03 0.00 3.34 3.33 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 40 F 9.17 4.01 0.00 3.29 3.21 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 41 G 8.14 3.61 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 0.00 0.00 0.00 42 V 7.50 3.59 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 0.70 0.00 0.00 0.87 0.00 0.00 43 I 7.19 3.61 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.20 0.46 0.00 0.00 44 S 6.74 2.79 0.00 3.20 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 45 I 7.22 3.54 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.84 0.00 0.00 46 N 7.92 5.07 0.00 2.81 2.95 0.00 0.00 7.14 8.13 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 47 F 8.00 5.07 0.00 2.96 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 48 T 8.79 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 49 S 8.43 4.46 0.00 3.70 3.72 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 50 V 7.62 3.67 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 1.04 0.00 0.00 0.79 0.00 0.00 51 D 8.11 4.26 0.00 2.81 1.81 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 52 I 8.01 4.01 2.29 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 1.68 1.26 0.95 0.00 0.00 53 N 8.57 4.54 0.00 2.81 2.95 0.00 0.00 6.70 7.27 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 54 M 8.14 4.05 0.00 2.10 2.28 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 2.60 2.75 0.00 55 L 7.71 4.17 0.00 1.78 1.51 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.15 4.29 0.00 1.94 1.79 0.94 0.33 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 57 N 8.55 4.53 0.00 2.79 2.94 0.00 0.00 7.10 7.24 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 58 V 7.62 4.21 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 0.89 0.00 0.00 1.23 0.00 0.00 59 T 7.47 4.21 4.51 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 1.25 0.00 0.00 60 P 0.00 4.60 0.00 2.19 2.07 0.00 3.92 0.00 0.00 3.94 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 61 G 8.45 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 0.00 0.00 0.00 62 F 8.31 3.95 0.00 3.19 3.05 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 63 A 8.23 3.98 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 64 A 7.93 3.94 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 65 E 8.19 3.92 0.00 2.33 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 2.49 2.49 0.00 66 K 8.88 4.01 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.50 7.81 67 Q 8.65 4.05 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 68 L 7.93 4.01 0.00 1.71 1.66 0.92 0.87 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 69 V 7.89 3.78 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 0.92 0.00 0.00 0.97 0.00 0.00 70 I 8.15 3.79 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.72 0.95 0.00 0.00 71 D 8.39 4.38 0.00 2.90 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 72 K 7.93 4.01 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.63 7.81 73 I 7.77 3.70 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.01 1.19 0.00 0.00 74 K 8.27 4.02 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.66 7.81 75 E 8.16 3.93 0.00 2.13 1.94 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 2.31 2.58 0.00 76 K 7.88 3.67 0.00 1.22 0.74 0.00 1.43 0.00 0.00 1.26 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.18 1.46 7.81 77 A 7.64 3.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.66 1.99 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 1.47 1.22 0.91 0.00 0.00 79 A 8.05 4.00 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 80 W 8.46 4.19 0.00 3.63 3.40 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 81 D 8.29 4.48 0.00 2.79 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 82 E 7.91 4.04 0.00 1.99 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 0.00 2.28 2.32 0.00 83 M 7.59 4.29 0.00 1.67 1.77 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 84 H 7.31 4.57 0.00 2.54 2.94 0.00 5.86 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 85 P 0.00 4.45 0.00 2.02 1.97 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 86 P 0.00 4.50 0.00 2.19 2.10 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 87 P 0.00 4.56 0.00 2.07 2.03 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 88 P 0.00 4.38 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 89 A 8.90 4.01 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 90 D 7.75 4.91 0.00 2.70 2.54 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 91 A 7.39 4.32 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 92 A 8.39 4.02 1.24 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 0.00 0.00 93 G 8.30 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 0.00 0.00 0.00 94 P 0.00 4.31 0.00 2.03 1.97 0.00 3.67 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 2.01 2.08 0.00 95 V 8.22 3.79 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 0.68 0.00 0.00 0.86 0.00 0.00 96 P 0.00 4.54 0.00 2.12 2.09 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 97 L 8.21 4.90 0.00 1.64 1.63 0.83 0.79 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 98 T 8.23 4.59 4.38 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 1.31 0.00 0.00 99 S 9.41 4.29 0.00 4.42 4.67 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 0.00 100 D 8.19 4.34 0.00 2.75 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 0.00 101 Q 8.10 3.97 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 102 I 7.66 3.53 1.60 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.36 -0.05 0.00 0.00 103 R 7.76 2.58 0.00 1.70 1.61 0.00 3.44 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 104 G 7.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.60 3.77 1.92 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 1.19 0.48 0.89 0.00 0.00 106 G 8.85 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 0.00 107 L 7.16 4.60 0.00 1.33 1.27 -0.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.86 4.35 0.00 4.07 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 0.00 109 P 0.00 4.00 0.00 2.00 2.15 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 110 E 7.92 3.87 0.00 1.98 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 2.38 2.44 0.00 111 E 8.20 3.94 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 112 A 7.80 3.59 1.05 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 0.00 0.00 113 A 7.16 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.41 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 0.00 115 P 0.00 4.23 0.00 2.15 2.10 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 116 R 7.96 3.71 0.00 1.52 1.48 0.00 2.95 0.00 0.00 2.67 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.29 0.00 117 F 8.13 4.76 0.00 3.17 2.89 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 A 8.08 3.98 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 0.00 119 D 8.04 4.31 0.00 2.77 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 0.00 120 A 7.84 3.81 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 0.00 121 R 8.28 3.97 0.00 2.21 2.22 0.00 3.26 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.54 0.00 122 T 7.51 3.82 4.33 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 1.17 0.00 0.00 123 L 7.85 3.70 0.00 1.44 1.32 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.88 3.75 0.00 2.92 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 0.00 125 R 7.94 3.72 0.00 1.87 2.01 0.00 3.18 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 126 T 7.76 3.87 4.39 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 1.33 0.00 0.00 127 W 8.26 4.42 0.00 3.49 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 0.00 128 V 7.95 3.50 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 0.84 0.00 0.00 0.34 0.00 0.00 129 L 8.22 4.01 0.00 1.84 1.74 0.92 1.44 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 0.00 130 E 8.68 3.97 0.00 2.24 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 2.57 0.00 131 A 8.00 3.98 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 0.00 132 L 8.09 4.03 0.00 1.81 1.71 0.57 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 0.00 133 Q 8.35 4.00 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 134 E 8.23 4.27 0.00 1.99 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 2.35 2.43 0.00 135 C 7.47 4.68 0.00 3.05 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 0.00 136 Q 7.78 4.18 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 137 R 8.73 4.45 0.00 1.61 1.69 0.00 3.32 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 138 T 8.42 4.13 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 1.21 0.00 0.00 139 I 8.46 3.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.34 0.94 0.00 0.00 140 S 8.17 4.81 0.00 3.93 3.80 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 0.00 141 P 0.00 4.28 0.00 2.07 2.04 0.00 3.68 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 2.03 2.11 0.00 142 L 8.35 4.36 0.00 1.64 1.61 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.52 4.17 0.00 1.99 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 2.23 1.87 0.00