NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.3097 8.4393 120.6100 56.7561 44.8792 174.0723 13 T 4.2329 7.9254 118.8737 60.5940 68.6719 174.1858 14 H 4.0093 9.3044 119.7860 56.8220 30.9598 174.8615 15 F 4.4007 8.0208 115.5402 58.0766 36.0405 172.8957 16 P 4.5074 0.0000 0.0000 64.0323 32.2421 176.0615 17 G 3.8276 7.2008 114.8425 45.6348 0.0000 171.7843 18 N 4.7279 6.9468 115.4171 53.5440 40.7876 175.9314 19 L 3.8120 7.3538 118.1951 57.6968 41.6656 176.6694 20 P 4.1359 0.0000 0.0000 66.4251 30.7425 177.5838 21 N 4.2599 8.2432 116.7472 56.2325 38.6802 176.0672 22 M 4.1476 8.5218 119.9365 57.4827 32.2197 178.5532 23 L 3.9833 8.1195 119.9176 57.5640 41.9039 179.1338 24 R 3.9347 7.9264 118.1728 59.6328 29.8488 178.0569 25 D 4.4187 7.9102 118.4849 57.1448 40.7551 178.6639 26 L 3.9370 7.6855 120.3152 58.1489 42.1886 179.1892 27 R 4.0120 8.4694 118.2726 59.6234 29.8771 178.6830 28 D 4.5583 8.3789 117.2723 57.4704 40.8655 178.7619 29 A 4.1642 7.7888 121.3376 54.9699 18.4767 179.4483 30 F 4.3634 8.3946 119.5637 61.4710 39.3658 177.2851 31 S 4.0404 8.7025 114.2491 61.6352 62.2658 176.4841 32 R 4.0889 7.5296 119.6891 57.8352 29.9209 177.3973 33 V 4.4708 7.9933 110.1008 59.6502 34.4933 176.9934 34 K 3.3343 7.5080 122.5490 59.9352 31.8483 178.7526 35 T 3.8557 7.7329 115.2172 66.4216 68.4457 175.9792 36 F 3.8306 8.2316 122.0746 61.7636 39.2596 177.2028 37 F 4.3919 8.1583 117.0880 60.4310 38.6216 177.6690 38 Q 4.2789 8.3550 116.4606 58.2507 28.6344 177.6299 39 M 4.2356 7.9203 119.1958 57.4128 32.3552 178.3544 40 K 4.2162 7.5692 118.1615 58.1025 32.3542 176.7963 41 D 4.5710 8.5310 120.1982 53.8763 40.4367 175.6491 42 Q 4.4048 8.4508 125.3180 56.0438 29.6982 176.4911 43 L 4.3273 7.8409 117.7111 54.7281 42.3620 176.2835 44 D 4.9212 8.4843 118.8609 53.9556 41.9341 176.1341 45 N 4.6945 7.8687 116.7948 51.6728 38.6564 174.3553 46 L 4.2261 8.1990 122.0484 54.7564 43.1421 176.1793 47 L 4.2538 8.5499 127.8286 57.5514 42.7678 177.6776 48 L 4.3042 7.4889 119.3165 52.7186 40.2790 176.5959 49 K 3.9624 7.8255 121.7479 56.5075 33.1455 177.4780 50 E 4.1852 8.5642 119.6612 57.4474 29.5841 178.7723 51 S 4.1081 7.8036 114.1823 62.1349 63.2363 175.9090 52 L 3.8931 7.7378 123.5916 57.5299 41.4218 178.8257 53 L 3.5661 7.4354 119.9227 58.1024 42.2093 178.4796 54 E 3.9769 8.1827 118.5150 59.6278 29.0894 179.1515 55 D 4.4186 8.2680 118.7927 57.4873 40.7326 178.8188 56 F 4.2997 8.3436 116.8094 59.5761 38.9327 176.7182 57 K 4.5954 7.5940 116.1402 55.7467 33.2205 176.7028 58 G 3.8364 7.6441 109.2889 44.8232 0.0000 172.8537 59 Y 4.8084 7.5699 114.8896 57.6338 38.2174 176.0311 60 L 4.8334 7.8652 117.2831 54.4470 44.0254 178.4280 61 G 3.9371 8.2899 107.5164 48.0730 0.0000 174.7327 62 C 4.0664 8.2294 120.8317 59.3769 39.1810 175.4376 63 Q 3.8348 8.0993 120.0645 59.1139 28.7579 177.9788 64 A 4.0124 8.1639 121.9627 55.0395 18.4419 179.4100 65 L 3.3996 7.7981 119.2326 58.0903 42.0322 179.3912 66 S 4.1240 8.1524 115.2313 61.5775 62.6963 176.4736 67 E 4.0107 8.1240 121.1556 59.6349 29.2344 179.3490 68 M 4.2964 8.0469 118.2385 58.6908 32.1781 178.6908 69 I 3.8713 7.8754 119.8652 64.7046 37.2001 178.5180 70 Q 4.0345 8.3890 118.6969 58.8538 28.4932 178.3017 71 F 4.2663 8.8337 122.1495 61.7368 39.3060 176.6485 72 Y 3.5857 8.4961 116.1998 61.1810 37.5523 178.9384 73 L 4.0045 7.9619 118.1536 57.1178 41.6990 178.7518 74 E 4.3499 8.2440 117.5466 58.7250 30.4553 177.3812 75 E 4.2043 8.1718 118.5966 58.8565 30.0398 178.3473 76 V 3.2828 6.9005 117.0347 66.5188 31.4769 177.8320 77 M 4.0104 8.6848 117.6184 58.3405 32.1348 177.2896 78 P 4.3382 0.0000 0.0000 65.6997 31.4159 178.6320 79 Q 4.0353 8.0317 116.3228 58.0454 28.5833 178.1956 80 A 4.2700 7.7291 121.4157 54.5872 19.2146 179.1254 81 E 3.9191 8.6299 117.4824 59.6508 29.3071 179.2256 82 N 4.2522 7.7392 115.8348 56.8059 39.2540 176.1109 83 Q 4.2786 7.5416 119.9370 58.2964 30.3832 176.8344 84 D 4.7789 8.0694 119.1591 50.9556 41.8291 173.8130 85 P 4.3508 0.0000 0.0000 65.0381 32.0900 178.2201 86 D 4.3222 8.1526 117.5698 57.0420 40.8469 178.1615 87 I 4.0051 7.3481 109.5922 59.9336 37.9107 176.8022 88 K 3.9662 7.7836 123.0241 59.9734 31.6472 177.8966 89 A 4.1271 7.7227 120.4184 55.0713 18.4731 178.7120 90 H 4.0647 8.0655 113.6866 59.2021 28.6403 177.9945 91 V 3.7350 8.4237 120.0955 65.9058 31.4062 177.5806 92 N 4.8937 7.7598 118.2421 56.1969 38.7243 176.8824 93 S 4.1108 8.4408 116.9885 61.4892 62.9602 176.3351 94 L 4.0484 7.6013 121.8279 58.1041 41.7367 178.9655 95 G 3.7768 8.2059 105.8442 48.0307 0.0000 175.1508 96 E 3.9621 8.3479 121.4112 59.4076 29.3550 179.1437 97 N 4.1404 7.9368 114.7559 56.4968 38.8198 176.9553 98 L 4.0286 7.9756 121.6155 57.9930 42.2155 178.8172 99 K 3.8809 8.3864 118.5671 60.1668 32.1700 179.4498 100 T 3.8799 8.7332 116.0489 66.0793 68.1912 176.4910 101 L 4.0846 8.3713 122.8011 57.8474 42.3189 178.3937 102 R 3.8903 8.0120 118.1782 59.6704 29.3886 177.8973 103 L 3.9851 8.2021 118.7494 58.2558 41.4813 179.9661 104 R 4.1602 7.5507 114.6679 58.8304 29.8442 178.8001 105 L 4.4780 8.2217 119.7659 57.3495 41.5147 178.7572 106 R 4.0675 7.8104 113.3804 57.4006 30.0161 178.3105 107 R 4.2277 7.5968 117.9384 57.4206 30.7255 175.5964 108 C 4.6760 6.8463 115.8149 55.4544 37.2954 175.2832 109 H 3.4501 8.5325 116.6909 54.9864 30.4280 178.6315 110 R 3.3025 8.3596 123.6003 59.7180 30.7408 177.2622 111 F 4.7431 8.3634 115.1244 60.2466 39.8930 176.2367 112 L 4.9192 7.5880 117.5182 52.7113 42.3163 175.5355 113 P 4.4640 0.0000 0.0000 65.7743 31.9683 178.1358 114 C 4.4561 8.2574 110.6681 57.3292 41.4537 173.7899 115 E 4.5202 7.9512 118.1977 56.1032 29.7753 175.0010 116 N 4.8357 8.2544 117.8698 51.5372 39.9122 175.3603 117 K 4.2276 8.3469 122.3018 55.9807 33.3006 176.9785 118 S 4.4305 8.3229 115.9056 57.4673 64.0907 175.0008 119 K 3.8621 8.5575 129.7904 59.6606 32.1853 178.6853 120 A 3.9605 7.9933 120.5775 55.4364 18.2859 179.6249 121 V 3.4900 7.4841 115.4132 65.8140 31.4839 177.9528 122 E 3.8574 7.8978 118.8622 59.3828 29.5942 178.5339 123 Q 4.0119 8.2029 118.1451 59.1186 28.7269 179.4260 124 V 3.6051 8.0849 119.2379 66.0485 31.5920 178.1956 125 K 3.9006 8.0875 118.1847 59.4455 31.8291 179.2045 126 N 4.3372 8.3088 116.5228 56.3598 38.5669 177.3142 127 A 4.1666 8.6729 122.4718 55.2200 18.3637 179.4960 128 F 3.9792 8.6631 119.5552 61.5054 39.2406 177.2115 129 N 4.6140 8.1933 115.3798 55.8966 38.5021 176.9221 130 K 4.2209 8.4573 118.0236 57.4391 32.2574 178.0381 131 L 4.2848 7.0572 118.1482 55.0100 43.3318 177.7321 132 Q 3.7916 8.2174 117.8111 56.7699 27.1699 175.0838 133 E 3.8057 9.3164 127.6863 60.7178 29.3783 178.4227 134 K 4.3768 8.0625 116.9700 58.6858 32.1013 179.5804 135 G 2.9061 8.0178 107.2625 47.4133 0.0000 175.8675 136 I 3.7728 6.7434 121.6413 64.3761 37.0765 178.1866 137 Y 4.3105 7.3470 116.9663 61.0205 37.5761 178.2727 138 K 4.0741 7.8817 118.9170 59.1074 32.4648 178.5593 139 A 4.2309 8.2424 121.2922 55.4016 18.3729 179.5217 140 M 4.2184 8.0953 117.2127 58.5385 31.9381 178.5604 141 S 4.5338 8.0902 110.7893 59.4100 63.6289 174.7875 142 E 4.5851 7.8261 121.6427 56.0952 29.9896 176.8603 143 F 3.9888 8.1928 123.3618 61.7713 39.2436 176.9064 144 D 4.6177 8.2786 117.9721 56.4992 39.2303 178.5153 145 I 3.4869 8.0554 121.7632 63.7502 36.9627 177.9336 146 F 4.2714 7.8716 121.0481 61.6167 39.2004 176.9843 147 I 3.3599 7.9992 119.5005 64.5094 36.8605 178.2653 148 N 4.4250 8.3458 117.4585 56.0779 38.2372 177.2928 149 Y 4.4240 7.8459 118.5049 61.1529 38.1180 177.8541 150 I 3.5408 7.9074 121.1003 64.4632 37.3264 177.9406 151 E 3.9081 8.7252 119.9486 59.2608 29.1975 178.5621 152 A 4.0094 7.8935 119.5302 55.6710 18.5296 178.3037 153 Y 4.0318 8.2778 116.7163 61.5006 38.9738 177.8049 154 M 4.2723 8.6302 118.9781 59.0513 31.9610 179.2435 155 T 4.3494 7.5314 111.9582 63.8437 68.6358 174.2460 156 M 4.2291 8.0925 127.3578 55.7881 32.6393 174.5884 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 12 C 8.44 4.31 0.00 2.69 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 13 T 7.93 4.23 4.29 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 1.23 0.00 0.00 14 H 9.30 4.01 0.00 3.32 3.45 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.02 4.40 0.00 3.20 3.04 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 16 P 0.00 4.51 0.00 2.12 2.21 0.00 3.95 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 17 G 7.20 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 0.00 0.00 0.00 18 N 6.95 4.73 0.00 2.68 2.61 0.00 0.00 7.34 7.78 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 19 L 7.35 3.81 0.00 1.44 1.43 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.14 0.00 2.20 2.29 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 N 8.24 4.26 0.00 2.81 2.84 0.00 0.00 7.08 7.65 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 22 M 8.52 4.15 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 23 L 8.12 3.98 0.00 1.74 1.66 0.83 0.55 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 24 R 7.93 3.93 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 25 D 7.91 4.42 0.00 2.83 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 26 L 7.69 3.94 0.00 1.94 1.77 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.47 4.01 0.00 1.87 2.03 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 28 D 8.38 4.56 0.00 2.65 2.76 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 29 A 7.79 4.16 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 30 F 8.39 4.36 0.00 3.06 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 31 S 8.70 4.04 0.00 3.96 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 32 R 7.53 4.09 0.00 1.84 1.94 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 33 V 7.99 4.47 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 0.93 0.00 0.00 1.18 0.00 0.00 34 K 7.51 3.33 0.00 1.14 1.55 0.00 1.49 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.23 7.81 35 T 7.73 3.86 4.23 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 1.19 0.00 0.00 36 F 8.23 3.83 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.16 4.39 0.00 3.28 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 38 Q 8.36 4.28 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 39 M 7.92 4.24 0.00 1.87 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 40 K 7.57 4.22 0.00 1.78 1.87 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.90 1.13 7.81 41 D 8.53 4.57 0.00 2.73 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 42 Q 8.45 4.40 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 43 L 7.84 4.33 0.00 1.64 1.74 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.48 4.92 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.87 4.69 0.00 2.83 2.81 0.00 0.00 6.10 7.79 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 46 L 8.20 4.23 0.00 1.60 1.59 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.55 4.25 0.00 1.66 1.67 0.96 1.00 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 48 L 7.49 4.30 0.00 1.65 1.56 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.83 3.96 0.00 1.73 1.71 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.36 7.81 50 E 8.56 4.19 0.00 1.99 1.88 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 2.32 2.31 0.00 51 S 7.80 4.11 0.00 4.05 4.06 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 52 L 7.74 3.89 0.00 1.69 1.63 0.97 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.44 3.57 0.00 1.63 1.75 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.18 3.98 0.00 2.16 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 2.55 2.48 0.00 55 D 8.27 4.42 0.00 3.06 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 56 F 8.34 4.30 0.00 3.11 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 57 K 7.59 4.60 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.70 7.81 58 G 7.64 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 59 Y 7.57 4.81 0.00 2.96 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 60 L 7.87 4.83 0.00 1.70 1.70 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.29 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 0.00 0.00 0.00 62 C 8.23 4.07 0.00 3.01 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 63 Q 8.10 3.83 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 64 A 8.16 4.01 1.44 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 0.00 0.00 0.00 65 L 7.80 3.40 0.00 1.00 1.53 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.15 4.12 0.00 3.90 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 67 E 8.12 4.01 0.00 2.25 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 2.35 2.59 0.00 68 M 8.05 4.30 0.00 2.40 2.50 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 3.16 0.00 69 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 1.57 1.28 0.94 0.00 0.00 70 Q 8.39 4.03 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 71 F 8.83 4.27 0.00 3.06 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 72 Y 8.50 3.59 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.96 4.00 0.00 1.69 1.75 0.96 0.72 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 74 E 8.24 4.35 0.00 2.01 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 2.29 2.48 0.00 75 E 8.17 4.20 0.00 1.76 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 2.31 2.34 0.00 76 V 6.90 3.28 1.80 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 0.98 0.00 0.00 -0.38 0.00 0.00 77 M 8.68 4.01 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 78 P 0.00 4.34 0.00 2.20 2.08 0.00 3.54 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 79 Q 8.03 4.04 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 80 A 7.73 4.27 1.47 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 0.00 0.00 0.00 81 E 8.63 3.92 0.00 2.00 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 2.35 2.55 0.00 82 N 7.74 4.25 0.00 2.76 2.85 0.00 0.00 7.18 6.98 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 83 Q 7.54 4.28 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 84 D 8.07 4.78 0.00 2.74 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 85 P 0.00 4.35 0.00 2.14 2.11 0.00 3.63 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 86 D 8.15 4.32 0.00 2.39 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 87 I 7.35 4.01 1.67 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 0.18 -0.22 0.48 0.00 0.00 88 K 7.78 3.97 0.00 1.96 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 89 A 7.72 4.13 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 90 H 8.07 4.06 0.00 3.24 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.42 3.74 2.12 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 1.11 0.00 0.00 1.14 0.00 0.00 92 N 7.76 4.89 0.00 3.03 2.92 0.00 0.00 6.76 7.51 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 93 S 8.44 4.11 0.00 4.07 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 94 L 7.60 4.05 0.00 1.85 1.93 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.21 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 96 E 8.35 3.96 0.00 2.17 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 2.34 2.51 0.00 97 N 7.94 4.14 0.00 2.88 2.89 0.00 0.00 7.09 7.31 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 98 L 7.98 4.03 0.00 1.81 1.89 0.87 0.46 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 99 K 8.39 3.88 0.00 1.95 1.87 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 100 T 8.73 3.88 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 1.23 0.00 0.00 101 L 8.37 4.08 0.00 1.77 1.82 0.87 0.73 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 8.01 3.89 0.00 1.92 2.08 0.00 3.45 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 103 L 8.20 3.99 0.00 1.74 1.74 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.55 4.16 0.00 2.16 2.55 0.00 3.72 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 105 L 8.22 4.48 0.00 1.96 1.83 0.87 0.47 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 0.00 106 R 7.81 4.07 0.00 1.99 2.07 0.00 3.07 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 107 R 7.60 4.23 0.00 1.68 1.86 0.00 3.08 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 108 C 6.85 4.68 0.00 2.80 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 0.00 109 H 8.53 3.45 0.00 3.15 2.55 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.36 3.30 0.00 1.48 1.73 0.00 3.26 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 111 F 8.36 4.74 0.00 3.28 3.03 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 0.00 112 L 7.59 4.92 0.00 1.71 1.58 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.46 0.00 2.19 2.13 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 114 C 8.26 4.46 0.00 3.08 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 0.00 115 E 7.95 4.52 0.00 1.99 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 2.24 2.24 0.00 116 N 8.25 4.84 0.00 2.86 2.74 0.00 0.00 6.94 7.61 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 0.00 117 K 8.35 4.23 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.36 7.81 118 S 8.32 4.43 0.00 3.88 3.71 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 0.00 0.00 0.00 119 K 8.56 3.86 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 120 A 7.99 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.48 3.49 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 0.94 0.00 0.00 0.91 0.00 0.00 122 E 7.90 3.86 0.00 2.22 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 2.30 2.39 0.00 123 Q 8.20 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 124 V 8.08 3.61 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 1.14 0.00 0.00 0.99 0.00 0.00 125 K 8.09 3.90 0.00 1.98 1.79 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.73 7.81 126 N 8.31 4.34 0.00 2.92 2.88 0.00 0.00 6.86 6.66 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 0.00 127 A 8.67 4.17 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 0.00 128 F 8.66 3.98 0.00 3.17 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 0.00 129 N 8.19 4.61 0.00 2.96 2.93 0.00 0.00 7.10 7.77 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 0.00 130 K 8.46 4.22 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 131 L 7.06 4.28 0.00 1.64 1.60 0.83 0.88 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 0.00 132 Q 8.22 3.79 0.00 2.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 133 E 9.32 3.81 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 134 K 8.06 4.38 0.00 1.81 1.86 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.62 7.81 135 G 8.02 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 0.00 0.00 0.00 136 I 6.74 3.77 1.28 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.79 0.00 0.00 137 Y 7.35 4.31 0.00 3.15 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 0.00 138 K 7.88 4.07 0.00 1.81 1.83 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.48 7.81 139 A 8.24 4.23 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 8.10 4.22 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.98 0.00 141 S 8.09 4.53 0.00 4.09 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 0.00 142 E 7.83 4.59 0.00 2.15 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 2.26 2.61 0.00 143 F 8.19 3.99 0.00 3.52 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 0.00 144 D 8.28 4.62 0.00 2.93 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 0.00 145 I 8.06 3.49 1.84 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 1.29 0.50 0.22 0.00 0.00 146 F 7.87 4.27 0.00 2.71 2.75 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 0.00 147 I 8.00 3.36 1.94 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 1.38 0.80 0.85 0.00 0.00 148 N 8.35 4.42 0.00 2.68 2.84 0.00 0.00 7.03 7.04 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 0.00 149 Y 7.85 4.42 0.00 3.20 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 0.00 150 I 7.91 3.54 1.68 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.30 0.69 0.00 0.00 151 E 8.73 3.91 0.00 2.03 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 2.32 2.34 0.00 152 A 7.89 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.28 4.03 0.00 2.99 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 0.00 154 M 8.63 4.27 0.00 2.16 2.33 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 2.93 2.74 0.00 155 T 7.53 4.35 4.37 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 1.20 0.00 0.00 156 M 8.09 4.23 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00