NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4387 8.1776 116.7887 58.6399 63.4931 173.7483 2 I 3.0368 7.5950 119.2484 62.6742 38.0964 177.6769 3 Q 4.0403 8.1305 120.7734 58.1833 29.6852 178.4336 4 A 4.0110 7.1297 119.9571 54.3396 18.8251 177.7846 5 E 3.6793 7.3909 116.8578 55.6728 29.6965 178.0856 6 E 3.8707 8.3124 121.8762 58.4497 30.0258 177.6533 7 W 4.5646 7.1460 115.1189 56.9167 28.8191 174.7560 8 Y 5.1414 7.5810 122.4666 57.0020 37.9769 175.3329 9 F 4.4705 9.3265 126.4297 56.4776 40.7197 178.4055 10 G 3.3591 5.6184 110.3068 46.6353 0.0000 176.3441 11 K 4.7445 8.5327 119.7258 54.7417 30.4454 175.3916 12 I 4.6634 7.5101 115.3735 57.9176 40.9572 176.7667 13 T 4.3572 8.0756 112.4555 60.8197 71.1643 175.7334 14 R 3.7640 9.3948 121.4723 59.6965 29.9268 178.5187 15 R 3.8568 7.9130 117.9101 59.3344 30.0909 177.9305 16 E 3.9317 8.4258 119.5250 59.1981 29.6331 178.8724 17 S 4.0568 8.2583 114.4862 61.6017 62.9663 176.4194 18 E 3.9498 8.4530 122.3453 58.9049 28.9481 179.1796 19 R 3.8945 7.9546 118.2007 59.5394 30.2327 178.3180 20 L 4.1442 7.8270 117.4846 57.7204 41.8128 179.0859 21 L 4.2638 8.1537 118.3973 56.6201 41.3890 178.1294 22 L 4.5558 7.5928 117.8776 53.8161 42.0591 175.9554 23 N 4.4800 7.6089 119.5559 52.8569 39.4003 175.8039 24 A 4.0343 8.8108 128.6866 55.4215 18.4738 178.3163 25 E 4.1085 8.4925 114.0663 58.3587 29.8229 177.0490 26 N 4.4819 8.1323 118.2479 52.1865 39.1133 173.4823 27 P 4.5742 0.0000 0.0000 61.2632 32.9159 175.4985 28 R 3.9724 8.1361 117.6791 57.9429 30.3299 177.6773 29 G 4.1232 9.1782 109.6602 46.4924 0.0000 173.4144 30 T 4.7372 7.5775 117.2959 63.9625 69.6947 173.4062 31 F 5.4735 8.7940 119.5466 56.2710 42.1456 172.4904 32 L 4.7200 8.8119 117.6915 54.8310 44.0233 174.0894 33 V 5.1775 9.2475 120.4841 61.3497 34.5811 174.5946 34 R 4.9367 9.2281 123.0639 54.3404 33.6116 173.9484 35 E 4.6403 8.8527 118.9903 56.1409 30.1053 177.4629 36 S 4.2453 8.3834 117.9837 58.4860 62.6639 174.3427 37 E 4.1461 8.9812 126.0182 59.0167 29.4217 177.9107 38 T 4.4008 7.7550 104.2841 61.1791 70.3566 173.7175 39 T 4.3214 8.1281 121.2103 61.4014 68.2403 174.1600 40 K 4.0850 8.4044 126.2980 58.0793 32.8885 177.7172 41 G 3.6896 8.7007 108.6429 45.7255 0.0000 172.7995 42 A 4.7126 7.5265 121.4495 50.3676 22.0774 175.7353 43 Y 5.1531 8.7347 117.0331 56.3795 42.2027 174.3175 44 C 5.2070 9.6043 120.0307 57.9313 35.2856 172.3249 45 L 4.9833 9.3916 129.2789 54.2148 43.0991 174.9753 46 S 5.2008 9.0141 123.7243 56.9840 65.1445 173.7322 47 V 5.1723 8.8604 124.5353 61.0999 34.9527 174.6122 48 S 5.0326 9.2354 122.6128 58.0132 64.9582 172.4448 49 D 5.2496 9.2877 120.8466 52.9855 45.4526 173.6559 50 F 5.4597 8.8010 122.5160 56.8390 42.5173 172.7430 51 D 4.4541 7.4063 123.4456 51.8713 42.3891 175.9741 52 N 4.2910 8.6538 116.5194 56.2107 38.8820 176.8643 53 A 4.0428 7.9774 120.2324 54.8431 18.5189 178.3664 54 K 4.2055 9.3745 113.6916 55.5693 33.9636 178.8651 55 G 3.5008 7.8522 107.8302 44.6362 0.0000 171.6837 56 L 4.9225 8.5769 123.1242 55.2480 42.9870 177.2156 57 N 5.0739 9.2399 122.5894 51.9357 41.4860 173.0214 58 V 4.9088 8.2045 117.9097 61.0252 34.5831 174.5024 59 K 4.5352 9.0489 126.0005 54.7531 35.6566 174.6492 60 H 5.1787 8.1446 119.3497 54.1149 31.8514 172.7126 61 Y 4.7336 8.7449 120.1802 55.8529 41.0582 174.7506 62 K 4.6777 8.8534 125.7377 56.3067 33.9556 175.1850 63 I 4.9009 8.8410 128.6756 59.8969 39.3325 175.0656 64 R 4.6276 8.7063 126.8660 54.7085 32.3064 175.4755 65 K 4.6171 8.0951 122.1566 54.6215 34.8887 175.7457 66 L 4.4761 8.7014 127.7315 53.7543 42.8849 177.7918 67 D 4.3297 8.5210 121.1372 57.5355 40.9370 178.1696 68 S 4.2092 7.9272 113.4304 59.3231 62.9729 174.0477 69 G 4.1411 8.0114 109.2521 45.5786 0.0000 174.9215 70 G 4.0441 8.0925 106.2838 45.9966 0.0000 172.7754 71 F 5.6005 9.1953 121.5132 55.9071 42.1474 174.2678 72 Y 5.1777 8.4057 118.4253 57.4586 41.1106 174.7283 73 I 4.3437 9.0640 119.3590 62.1192 38.8401 176.1187 74 T 4.7660 7.7968 114.4920 59.8113 69.0336 175.1095 75 S 2.9256 8.5269 122.7615 60.6106 63.1233 175.6523 76 R 3.9067 7.7358 118.8578 58.2115 30.0008 176.5508 77 T 4.1416 7.6809 113.5191 61.4749 69.6542 172.9456 78 Q 4.8632 7.7024 123.9052 53.7930 31.7568 175.3372 79 F 4.8883 8.8641 117.8690 55.7821 42.6166 176.1922 80 N 4.6925 8.9837 119.8417 55.3377 39.1354 175.6913 81 S 4.5217 7.6670 112.2541 55.8829 67.3298 174.9821 82 L 3.4187 7.1885 123.6991 57.9580 41.7118 179.0026 83 Q 4.2071 7.9439 117.6527 59.3153 28.7333 178.8116 84 Q 3.9449 8.0422 118.9151 58.5799 28.6928 178.6716 85 L 2.4400 7.3176 120.9673 57.5673 42.0105 179.1621 86 V 3.1533 7.5604 118.1899 65.8090 31.0858 177.8449 87 A 3.8686 7.6919 119.5296 55.0665 18.4541 178.7574 88 Y 3.9270 7.7651 118.1423 60.9598 38.9718 177.2641 89 Y 4.5686 7.6862 116.9535 58.8108 37.8295 177.2488 90 S 4.8709 7.2710 117.1628 58.8381 63.2522 174.6571 91 K 4.2348 7.6162 119.9780 56.5171 33.6098 176.2039 92 H 4.6875 7.3843 115.3110 53.5849 31.1955 174.7790 93 A 4.0560 8.6734 127.1291 53.7747 19.8934 179.5219 94 D 4.5119 7.7673 113.0477 55.9642 40.3593 174.9413 95 G 3.9485 8.9483 116.3297 46.3295 0.0000 173.4000 96 L 3.8316 7.9519 121.4009 53.7269 42.2654 177.9394 97 C 4.1229 8.7213 115.7664 61.3017 29.7681 173.3220 98 H 4.4801 7.1439 116.8929 54.9114 32.6745 173.5144 99 R 4.1505 7.7388 120.3159 55.6556 30.1881 175.9205 100 L 4.2426 8.6845 120.9380 55.2234 41.7509 176.1598 101 T 4.4699 8.6889 112.8585 62.7261 70.4803 173.9467 102 T 4.7867 7.7138 116.5833 58.8082 71.0705 172.5436 103 V 3.4862 8.4554 128.3163 62.5426 32.3744 175.0732 104 C 4.0855 8.4094 129.0739 59.0458 31.9493 171.7980 105 P 4.4922 0.0000 0.0000 62.9240 30.9537 176.1420 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 S 8.18 4.44 0.00 3.87 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 2 I 7.59 3.04 1.25 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 1.15 0.17 0.67 0.00 0.00 3 Q 8.13 4.04 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 4 A 7.13 4.01 1.18 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 0.00 0.00 0.00 5 E 7.39 3.68 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 1.84 1.49 0.00 6 E 8.31 3.87 0.00 1.98 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 2.31 2.25 0.00 7 W 7.15 4.56 0.00 3.59 3.19 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 8 Y 7.58 5.14 0.00 2.74 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 9 F 9.33 4.47 0.00 2.74 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 10 G 5.62 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.53 4.74 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.60 7.81 12 I 7.51 4.66 1.91 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 1.53 0.87 0.98 0.00 0.00 13 T 8.08 4.36 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 1.21 0.00 0.00 14 R 9.39 3.76 0.00 1.74 1.98 0.00 3.02 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.00 15 R 7.91 3.86 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.43 3.93 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 17 S 8.26 4.06 0.00 4.03 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 18 E 8.45 3.95 0.00 2.18 2.05 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 2.37 2.53 0.00 19 R 7.95 3.89 0.00 1.89 2.12 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 L 7.83 4.14 0.00 1.78 1.67 0.98 1.05 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 21 L 8.15 4.26 0.00 1.73 1.69 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.59 4.56 0.00 1.69 1.69 0.93 0.89 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 23 N 7.61 4.48 0.00 2.68 2.69 0.00 0.00 7.08 8.42 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 24 A 8.81 4.03 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 25 E 8.49 4.11 0.00 2.06 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 2.33 2.37 0.00 26 N 8.13 4.48 0.00 2.79 2.76 0.00 0.00 6.99 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 27 P 0.00 4.57 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 28 R 8.14 3.97 0.00 1.55 1.59 0.00 3.27 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 29 G 9.18 4.12 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 0.00 30 T 7.58 4.74 4.26 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 1.19 0.00 0.00 31 F 8.79 5.47 0.00 3.23 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 32 L 8.81 4.72 0.00 1.04 0.98 0.74 0.12 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 33 V 9.25 5.18 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 1.37 0.00 0.00 1.11 0.00 0.00 34 R 9.23 4.94 0.00 1.99 1.96 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 35 E 8.85 4.64 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 36 S 8.38 4.25 0.00 3.90 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 37 E 8.98 4.15 0.00 1.98 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 2.30 2.27 0.00 38 T 7.76 4.40 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 1.20 0.00 0.00 39 T 8.13 4.32 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 K 8.40 4.09 0.00 1.82 1.80 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 41 G 8.70 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 42 A 7.53 4.71 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.73 5.15 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 44 C 9.60 5.21 0.00 2.95 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 45 L 9.39 4.98 0.00 1.84 1.82 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.01 5.20 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.86 5.17 2.31 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 1.15 0.00 0.00 1.09 0.00 0.00 48 S 9.24 5.03 0.00 3.93 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 49 D 9.29 5.25 0.00 2.77 2.51 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 50 F 8.80 5.46 0.00 3.08 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 51 D 7.41 4.45 0.00 2.60 2.59 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 52 N 8.65 4.29 0.00 2.69 2.90 0.00 0.00 6.89 7.35 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 53 A 7.98 4.04 1.25 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 0.00 0.00 54 K 9.37 4.21 0.00 1.55 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.29 7.81 55 G 7.85 3.50 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 0.00 56 L 8.58 4.92 0.00 1.92 1.71 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.24 5.07 0.00 2.80 2.84 0.00 0.00 6.02 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 58 V 8.20 4.91 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 0.69 0.00 0.00 0.92 0.00 0.00 59 K 9.05 4.54 0.00 1.60 1.11 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.56 7.81 60 H 8.14 5.18 0.00 2.86 3.09 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 61 Y 8.74 4.73 0.00 2.94 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 62 K 8.85 4.68 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.65 7.81 63 I 8.84 4.90 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 1.24 0.00 0.00 64 R 8.71 4.63 0.00 0.67 1.48 0.00 3.15 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 65 K 8.10 4.62 0.00 1.47 1.50 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.80 0.21 7.81 66 L 8.70 4.48 0.00 1.72 1.57 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.52 4.33 0.00 2.65 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 68 S 7.93 4.21 0.00 3.86 3.92 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 69 G 8.01 4.14 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 0.00 0.00 0.00 70 G 8.09 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 0.00 0.00 0.00 71 F 9.20 5.60 0.00 3.18 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 72 Y 8.41 5.18 0.00 3.43 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 73 I 9.06 4.34 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.97 0.00 0.00 74 T 7.80 4.77 4.34 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 1.32 0.00 0.00 75 S 8.53 2.93 0.00 3.50 3.52 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 76 R 7.74 3.91 0.00 1.77 1.96 0.00 3.23 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 77 T 7.68 4.14 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 0.72 0.00 0.00 78 Q 7.70 4.86 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 79 F 8.86 4.89 0.00 3.29 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.98 4.69 0.00 3.05 2.97 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.67 4.52 0.00 3.76 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 82 L 7.19 3.42 0.00 0.78 1.43 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.94 4.21 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.86 0.00 84 Q 8.04 3.94 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 85 L 7.32 2.44 0.00 1.53 1.59 1.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.56 3.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 -0.07 0.00 0.00 87 A 7.69 3.87 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 88 Y 7.77 3.93 0.00 2.89 2.30 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 89 Y 7.69 4.57 0.00 2.94 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 90 S 7.27 4.87 0.00 3.81 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 91 K 7.62 4.23 0.00 1.50 1.47 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.37 7.81 92 H 7.38 4.69 0.00 2.56 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.67 4.06 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 94 D 7.77 4.51 0.00 3.12 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 0.00 0.00 0.00 95 G 8.95 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 96 L 7.95 3.83 0.00 1.58 1.21 0.35 -0.64 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 97 C 8.72 4.12 0.00 3.36 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 98 H 7.14 4.48 0.00 2.98 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.74 4.15 0.00 2.06 1.94 0.00 3.16 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 100 L 8.68 4.24 0.00 1.15 0.41 0.15 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.69 4.47 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 102 T 7.71 4.79 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 1.26 0.00 0.00 103 V 8.46 3.49 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 0.86 0.00 0.00 0.99 0.00 0.00 104 C 8.41 4.09 0.00 2.90 2.58 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 0.00 105 P 0.00 4.49 0.00 2.10 1.97 0.00 3.77 0.00 0.00 3.82 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