NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5844 0.0000 0.0000 62.5648 33.5009 174.8121 2 I 4.4843 8.1611 122.0021 60.6282 37.9695 170.7073 3 V 4.5452 8.7911 118.7201 59.4807 37.2240 173.8809 4 Q 4.5942 8.6034 124.2514 56.0635 29.3567 175.7127 5 N 4.7809 8.6306 125.4464 51.6076 39.9113 174.9881 6 L 4.0882 8.4805 116.8110 58.5182 41.6373 179.6026 7 Q 4.0662 7.6664 112.5190 56.6971 28.0797 177.5907 8 G 3.9821 8.0530 107.6145 45.2739 0.0000 174.1071 9 Q 4.2399 7.7663 121.1303 55.9769 30.6404 174.5861 10 M 4.7744 8.5590 125.3725 55.1346 32.8129 175.9726 11 V 4.5446 8.4942 116.6108 59.4461 35.8335 174.4978 12 H 5.0666 8.6599 121.6012 56.1501 30.7093 174.0899 13 Q 4.5406 8.6909 124.2560 53.9018 32.2524 174.6253 14 A 4.0768 8.5063 127.7808 51.7067 19.1822 177.4191 15 I 3.7228 8.0774 121.2782 60.9219 38.9054 176.2215 16 S 4.3232 8.4526 121.1449 57.4564 63.9818 173.5715 17 P 4.3901 0.0000 0.0000 65.6593 31.2160 178.9707 18 R 3.9788 7.9241 118.3188 59.4456 29.9401 179.0713 19 T 3.8805 7.8036 114.9981 66.5448 68.6115 176.5291 20 L 4.1239 7.9045 120.8868 58.2228 41.6888 179.4785 21 N 4.4873 8.8308 116.2436 56.1176 38.4388 177.4592 22 A 3.9844 7.9752 122.3577 54.8679 18.4042 179.3744 23 W 4.3905 8.8649 127.3142 60.6877 30.6844 178.2125 24 V 3.2189 8.4208 118.4222 65.7772 30.9960 177.7530 25 K 3.7771 8.0312 118.3755 59.7391 31.8879 179.1181 26 V 3.4445 7.4971 117.6387 66.0861 31.6284 178.2433 27 V 3.1569 6.6513 119.0444 65.2394 30.9419 177.7796 28 E 3.9430 7.9771 117.5761 58.1917 29.2745 178.0896 29 E 4.3705 7.4730 116.6296 57.9142 30.6628 177.8031 30 K 4.1303 8.0660 116.1390 55.2140 32.4270 177.7190 31 A 3.3663 8.0408 122.4106 53.6003 18.2141 179.6000 32 F 4.8736 7.3834 109.1113 57.9954 38.8728 174.1698 33 S 4.8234 7.9422 119.0793 56.3151 64.8012 174.0421 34 P 4.2531 0.0000 0.0000 66.3352 31.1761 178.3750 35 E 4.1968 8.2035 116.3999 58.1901 29.4154 179.1543 36 V 3.9401 8.4952 120.2891 64.4693 31.5621 178.5173 37 I 3.8111 7.6168 120.8868 64.1468 37.0057 176.6845 38 P 4.3635 0.0000 0.0000 65.2907 31.1981 178.4854 39 M 4.0208 7.7907 116.0980 58.7313 32.0322 177.8591 40 F 3.6079 8.1819 119.2929 61.2723 39.7148 176.7220 41 S 4.0108 8.0742 111.9800 61.2255 61.9875 176.0409 42 A 3.9460 7.8141 122.5810 55.0500 18.2722 179.2462 43 L 4.1085 8.1614 116.0624 56.0725 41.9320 177.8332 44 S 4.4850 7.1197 113.9472 57.3891 63.3361 173.6539 45 E 4.0592 8.1258 120.8945 58.6412 29.7199 177.4334 46 G 3.8115 8.9514 110.5989 45.6796 0.0000 173.0592 47 A 4.4668 7.7527 123.2269 51.9060 18.9858 178.3420 48 T 4.4644 8.6156 112.3138 60.1925 71.4580 174.4028 49 P 4.4982 0.0000 0.0000 65.8916 31.1757 178.5934 50 Q 4.0200 8.5635 118.2249 59.4502 29.0854 178.1185 51 D 4.3781 8.5888 120.1908 57.4622 40.8650 178.8734 52 L 4.0109 8.3379 119.7372 57.8499 41.5226 179.3795 53 N 4.4792 8.5161 116.4601 56.7368 38.3062 177.5095 54 T 3.8260 8.0416 116.2189 66.9675 68.6456 176.2977 55 M 4.4246 7.9635 120.0766 58.5404 31.9517 178.8597 56 L 4.3742 8.2393 119.1160 57.7848 41.6010 178.7782 57 N 4.6840 8.8165 115.3384 54.8788 38.6962 176.3545 58 T 4.4404 7.6300 110.4391 61.0554 69.5578 174.9469 59 V 3.5839 7.2778 123.4468 62.9058 31.8276 175.6169 60 G 3.8793 8.5489 116.4681 45.5573 0.0000 174.9837 61 G 3.7021 8.4350 109.4866 44.2872 0.0000 172.1952 62 H 4.2248 8.4824 110.5142 56.9525 26.6228 176.5116 63 Q 4.0615 7.9115 118.9733 58.9268 29.0306 178.2938 64 A 4.1426 8.0438 121.3510 54.8353 18.5179 179.4401 65 A 3.9652 8.0233 118.8858 55.6888 18.6126 179.4730 66 M 3.9522 8.2478 117.2844 58.7256 32.0064 178.8689 67 Q 4.0226 8.0821 119.3182 59.2129 29.3010 177.7706 68 M 4.0461 8.1852 119.4294 58.2756 32.2396 178.0703 69 L 3.8338 8.0678 120.7250 57.9703 42.3160 178.5888 70 K 3.8820 8.3734 120.0758 59.8046 31.9717 178.2461 71 E 4.0195 8.3123 119.3055 59.4383 29.4284 178.9824 72 T 4.0652 7.7807 117.1264 65.9785 68.4587 176.5617 73 I 3.8050 7.7658 121.7318 64.8396 37.2849 178.3327 74 N 4.3666 8.6083 117.3072 56.2011 38.3945 177.4430 75 E 3.9210 8.2986 120.4863 59.2913 29.4953 179.1624 76 E 3.5942 8.2438 118.8898 58.7999 29.2749 179.1743 77 A 3.5331 7.6453 121.0327 54.9949 18.4722 179.6134 78 A 3.9772 7.9219 119.2434 55.2073 18.3152 179.7345 79 E 3.8904 8.2420 117.3272 59.0508 29.5570 179.1332 80 W 4.2277 8.2211 128.4576 60.8686 30.5917 177.5910 81 D 4.4900 8.1383 117.1812 57.4362 40.3217 178.6470 82 R 4.0028 7.8372 118.0456 59.4275 30.2973 178.1100 83 L 4.2514 7.8505 115.5883 55.1938 42.9550 177.1502 84 H 4.5872 7.2739 116.2825 52.1782 28.8079 171.1661 85 P 4.3253 0.0000 0.0000 62.2046 32.0537 177.4541 86 V 3.8831 8.1686 120.3214 63.1721 32.1444 174.8456 87 H 4.7136 9.2319 124.0390 53.8770 29.9934 174.8869 88 A 4.2365 8.3492 127.6837 51.4164 19.2956 175.5035 89 G 4.0441 8.6185 105.8352 43.4275 0.0000 172.2535 90 P 4.4183 0.0000 0.0000 62.4602 32.0049 175.8400 91 I 4.1826 8.0709 120.9409 59.9562 38.3900 175.9794 92 A 4.3109 8.3075 127.9405 50.8425 19.2411 174.7101 93 P 4.5533 0.0000 0.0000 63.9065 31.8338 177.5868 94 G 3.9468 9.1039 110.8392 45.2086 0.0000 172.5839 95 Q 4.7873 7.6259 117.2348 54.3459 31.7318 174.2914 96 M 4.8749 8.0611 117.1045 53.1806 36.0525 175.3619 97 R 4.0618 8.6499 116.8518 56.6518 29.8429 176.0245 98 E 4.3006 8.7390 119.9036 55.3278 30.1759 175.1823 99 P 4.3493 0.0000 0.0000 62.6871 32.0976 176.8932 100 R 4.7268 9.3560 121.1293 54.6016 33.0419 178.0178 101 G 3.8165 9.8378 107.4386 48.4036 0.0000 175.9664 102 S 4.1551 8.1496 116.3583 61.4228 62.7894 176.2791 103 D 4.3791 7.8417 121.8128 56.8989 40.4363 178.4563 104 I 3.1748 7.0878 119.2804 64.2009 37.1841 178.0301 105 A 2.5800 7.3339 118.7791 52.3961 18.2191 178.4187 106 G 3.8868 7.4685 105.3657 45.3860 0.0000 174.9556 107 T 4.0463 7.8438 117.6202 66.0572 68.4868 175.7381 108 T 4.4792 7.8518 107.7020 61.0774 69.5725 173.9316 109 S 5.0724 7.7014 117.6815 56.7774 65.5202 173.8265 110 T 4.2305 8.8945 114.2176 60.9095 70.9272 175.5823 111 L 3.8483 8.3729 123.4576 58.5482 41.9377 179.0325 112 Q 3.8411 7.9170 118.6444 59.2456 29.0261 177.7953 113 E 3.3175 7.9104 119.4243 59.3445 29.4160 179.3637 114 Q 4.3191 7.8567 117.7855 59.3470 28.7933 179.2413 115 I 3.8972 7.8036 120.8197 64.1519 37.1050 178.6330 116 G 3.5400 8.2460 107.0607 47.5570 0.0000 175.8585 117 W 4.3836 8.0544 121.1108 59.9989 28.9895 178.6938 118 M 4.1212 8.2895 116.9673 57.4150 31.4887 177.5394 119 T 4.4730 7.7701 110.8826 61.0900 68.3119 173.3792 120 H 4.3437 7.6745 119.2396 56.5161 30.6410 173.9154 121 N 4.8440 7.6969 120.0830 50.6259 39.6402 171.9789 122 P 4.4955 0.0000 0.0000 61.7135 32.2359 174.7048 123 P 4.7122 0.0000 0.0000 62.5611 32.2771 175.6154 124 I 4.4057 8.7878 120.9439 59.0623 38.8215 175.8632 125 P 4.5937 0.0000 0.0000 61.5677 28.5559 176.7244 126 V 3.3510 7.6663 118.9022 65.0359 31.8452 178.0695 127 G 3.7756 7.8506 106.4549 47.1097 0.0000 175.3267 128 E 3.8570 7.9563 121.2163 59.0581 29.7389 178.8399 129 I 3.5473 7.4573 119.9327 64.2062 37.0390 177.7558 130 Y 3.4449 7.7522 120.8382 60.2390 38.5498 177.9426 131 K 3.7765 8.1851 120.9422 59.1542 32.2656 178.8424 132 R 3.9613 7.8987 118.5170 59.3301 30.0616 178.9709 133 W 4.4654 8.0391 118.4228 60.0187 29.0425 178.7001 134 I 3.6565 8.1196 120.1015 64.3422 36.3725 178.6061 135 I 3.7746 7.9123 120.7819 64.1576 36.7406 178.4176 136 L 4.1038 8.2139 120.1691 57.5962 41.4484 179.7415 137 G 3.5904 7.9802 105.6578 47.7982 0.0000 175.5381 138 L 3.8042 8.1388 122.2277 57.5034 41.4044 179.1231 139 N 4.2557 8.0134 115.2220 56.6450 38.4552 177.0116 140 K 4.1142 7.6876 120.5716 59.4332 32.2321 179.0025 141 I 3.8196 7.7421 120.3100 64.1456 37.0268 178.4619 142 V 4.0950 8.1639 120.8327 65.1386 31.0651 177.1938 143 R 4.3701 7.5115 116.6049 56.6806 29.9338 176.5018 144 M 4.5213 8.6950 116.0384 56.0919 33.2834 175.3812 145 Y 4.6049 7.6789 115.3928 58.0945 38.4781 175.6220 146 S 4.3512 8.1183 120.4670 58.6504 62.5898 173.5782 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 4.58 0.00 2.16 2.19 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 2 I 8.16 4.48 1.87 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 1.26 0.70 0.91 0.00 0.00 3 V 8.79 4.55 2.06 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 0.72 0.00 0.00 0.90 0.00 0.00 4 Q 8.60 4.59 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 5 N 8.63 4.78 0.00 2.84 2.84 0.00 0.00 7.08 7.30 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 6 L 8.48 4.09 0.00 1.69 1.75 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.67 4.07 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 8 G 8.05 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 9 Q 7.77 4.24 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 10 M 8.56 4.77 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 11 V 8.49 4.54 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 0.71 0.00 0.00 0.93 0.00 0.00 12 H 8.66 5.07 0.00 3.13 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.54 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 14 A 8.51 4.08 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 15 I 8.08 3.72 2.04 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 0.82 0.92 0.00 0.00 16 S 8.45 4.32 0.00 3.91 3.70 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 17 P 0.00 4.39 0.00 2.31 2.31 0.00 3.75 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 2.08 2.06 0.00 18 R 7.92 3.98 0.00 1.92 2.03 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 19 T 7.80 3.88 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 1.17 0.00 0.00 20 L 7.90 4.12 0.00 1.92 1.83 0.97 0.85 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 21 N 8.83 4.49 0.00 2.82 2.88 0.00 0.00 6.98 7.05 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 22 A 7.98 3.98 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 23 W 8.86 4.39 0.00 3.32 3.38 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 24 V 8.42 3.22 2.20 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 0.99 0.00 0.00 0.90 0.00 0.00 25 K 8.03 3.78 0.00 1.98 1.84 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.72 7.81 26 V 7.50 3.44 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 1.05 0.00 0.00 1.05 0.00 0.00 27 V 6.65 3.16 1.46 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 0.56 0.00 0.00 -0.54 0.00 0.00 28 E 7.98 3.94 0.00 2.00 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 0.00 2.25 2.33 0.00 29 E 7.47 4.37 0.00 1.87 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 2.21 2.37 0.00 30 K 8.07 4.13 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.55 7.81 31 A 8.04 3.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.38 4.87 0.00 1.59 2.46 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 0.00 33 S 7.94 4.82 0.00 3.90 3.79 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 34 P 0.00 4.25 0.00 2.20 2.18 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 35 E 8.20 4.20 0.00 2.04 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 2.42 2.39 0.00 36 V 8.50 3.94 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 1.12 0.00 0.00 1.31 0.00 0.00 37 I 7.62 3.81 2.11 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 1.57 1.11 0.96 0.00 0.00 38 P 0.00 4.36 0.00 2.19 2.12 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 39 M 7.79 4.02 0.00 2.57 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.76 0.00 40 F 8.18 3.61 0.00 2.95 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 41 S 8.07 4.01 0.00 3.99 4.01 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 42 A 7.81 3.95 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 43 L 8.16 4.11 0.00 1.33 1.56 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.12 4.49 0.00 3.54 3.25 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 0.00 45 E 8.13 4.06 0.00 1.90 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 2.25 2.23 0.00 46 G 8.95 3.81 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 0.00 0.00 0.00 47 A 7.75 4.47 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.62 4.46 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 1.30 0.00 0.00 49 P 0.00 4.50 0.00 2.28 2.24 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 50 Q 8.56 4.02 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 51 D 8.59 4.38 0.00 2.80 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 52 L 8.34 4.01 0.00 1.87 1.58 0.86 0.57 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 53 N 8.52 4.48 0.00 2.97 2.96 0.00 0.00 7.03 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 54 T 8.04 3.83 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 1.27 0.00 0.00 55 M 7.96 4.42 0.00 1.95 2.30 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 56 L 8.24 4.37 0.00 1.93 1.83 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.82 4.68 0.00 2.79 2.94 0.00 0.00 7.01 7.60 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 58 T 7.63 4.44 4.31 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 1.39 0.00 0.00 59 V 7.28 3.58 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 0.83 0.00 0.00 1.22 0.00 0.00 60 G 8.55 3.88 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 0.00 0.00 0.00 61 G 8.44 3.70 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 0.00 0.00 0.00 62 H 8.48 4.22 0.00 3.49 3.58 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.91 4.06 0.00 2.17 2.18 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 2.52 0.00 64 A 8.04 4.14 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 65 A 8.02 3.97 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 66 M 8.25 3.95 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 67 Q 8.08 4.02 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 68 M 8.19 4.05 0.00 2.26 2.04 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 2.58 2.51 0.00 69 L 8.07 3.83 0.00 1.74 1.86 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.37 3.88 0.00 1.94 2.03 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 71 E 8.31 4.02 0.00 2.22 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 2.29 2.37 0.00 72 T 7.78 4.07 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 1.19 0.00 0.00 73 I 7.77 3.80 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.85 1.26 0.00 0.00 74 N 8.61 4.37 0.00 2.84 2.83 0.00 0.00 7.12 7.44 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 75 E 8.30 3.92 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 76 E 8.24 3.59 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 77 A 7.65 3.53 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 78 A 7.92 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 79 E 8.24 3.89 0.00 2.02 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 2.39 0.00 80 W 8.22 4.23 0.00 3.72 3.34 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 81 D 8.14 4.49 0.00 2.92 2.78 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 82 R 7.84 4.00 0.00 1.92 2.06 0.00 3.22 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 1.60 1.64 0.00 83 L 7.85 4.25 0.00 1.34 1.40 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.27 4.59 0.00 2.74 2.98 0.00 5.86 0.00 0.00 0.00 0.00 7.00 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 4.33 0.00 2.07 1.99 0.00 3.73 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 86 V 8.17 3.88 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 0.91 0.00 0.00 0.97 0.00 0.00 87 H 9.23 4.71 0.00 3.27 3.23 0.00 5.90 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 88 A 8.35 4.24 1.26 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 89 G 8.62 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 0.00 0.00 0.00 90 P 0.00 4.42 0.00 2.20 2.07 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 91 I 8.07 4.18 1.88 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 1.38 0.61 0.92 0.00 0.00 92 A 8.31 4.31 1.27 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 0.00 0.00 93 P 0.00 4.55 0.00 2.05 1.99 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 2.02 2.08 0.00 94 G 9.10 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.63 4.79 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 96 M 8.06 4.87 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 97 R 8.65 4.06 0.00 2.04 2.07 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 98 E 8.74 4.30 0.00 2.09 2.03 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 2.38 2.38 0.00 99 P 0.00 4.35 0.00 1.41 0.49 0.00 3.65 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 1.49 0.53 0.00 100 R 9.36 4.73 0.00 1.83 2.10 0.00 3.38 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 101 G 9.84 3.82 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 0.00 0.00 0.00 102 S 8.15 4.16 0.00 4.06 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 0.00 103 D 7.84 4.38 0.00 2.62 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 0.00 104 I 7.09 3.17 1.57 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.23 -0.15 0.00 0.00 105 A 7.33 2.58 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.47 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 0.00 107 T 7.84 4.05 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 1.22 0.00 0.00 108 T 7.85 4.48 4.28 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 1.23 0.00 0.00 109 S 7.70 5.07 0.00 4.20 4.41 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 0.00 110 T 8.89 4.23 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 111 L 8.37 3.85 0.00 1.73 1.66 0.76 0.44 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 0.00 112 Q 7.92 3.84 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 113 E 7.91 3.32 0.00 1.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 114 Q 7.86 4.32 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 115 I 7.80 3.90 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.89 0.00 0.00 116 G 8.25 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 0.00 117 W 8.05 4.38 0.00 3.61 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 0.00 118 M 8.29 4.12 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 119 T 7.77 4.47 4.45 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 1.24 0.00 0.00 120 H 7.67 4.34 0.00 3.50 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.70 4.84 0.00 2.60 2.59 0.00 0.00 6.99 7.69 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 0.00 122 P 0.00 4.50 0.00 2.27 2.07 0.00 3.91 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 2.06 2.00 0.00 123 P 0.00 4.71 0.00 2.26 2.30 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 124 I 8.79 4.41 1.74 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 1.40 0.79 0.84 0.00 0.00 125 P 0.00 4.59 0.00 2.21 2.19 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 126 V 7.67 3.35 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 0.19 0.00 0.00 1.04 0.00 0.00 127 G 7.85 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 0.00 128 E 7.96 3.86 0.00 1.99 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 2.31 2.35 0.00 129 I 7.46 3.55 1.25 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.37 0.38 0.00 0.00 130 Y 7.75 3.44 0.00 2.56 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 0.00 131 K 8.19 3.78 0.00 1.85 1.90 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.51 7.81 132 R 7.90 3.96 0.00 2.09 2.09 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 133 W 8.04 4.47 0.00 3.67 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 0.00 134 I 8.12 3.66 1.75 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.14 0.33 0.00 0.00 135 I 7.91 3.77 2.03 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 1.59 0.74 0.94 0.00 0.00 136 L 8.21 4.10 0.00 1.92 1.74 1.08 0.72 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 0.00 137 G 7.98 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 0.00 138 L 8.14 3.80 0.00 1.72 1.69 0.58 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.01 4.26 0.00 2.95 2.92 0.00 0.00 7.04 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 0.00 140 K 7.69 4.11 0.00 1.78 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 I 7.74 3.82 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.72 0.00 0.00 142 V 8.16 4.09 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 1.22 0.00 0.00 1.07 0.00 0.00 143 R 7.51 4.37 0.00 1.89 2.10 0.00 3.14 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 144 M 8.70 4.52 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.19 0.00 145 Y 7.68 4.60 0.00 3.16 2.94 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 0.00 146 S 8.12 4.35 0.00 3.96 3.73 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