NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4509 8.1927 115.4144 57.7870 64.6454 174.2328 3 V 3.3561 8.3114 120.8529 65.5023 31.1854 176.2531 4 Y 3.9828 8.8532 120.1262 60.7914 38.7948 177.2787 5 D 4.3314 7.9964 118.2614 57.2925 41.3890 178.0991 6 A 4.0515 7.9532 120.8062 55.2624 18.4641 179.3099 7 A 3.7218 8.5797 119.6057 55.4477 18.2950 179.6436 8 A 3.7114 7.9824 118.4973 55.0973 18.3083 179.3478 9 Q 4.1335 7.4544 114.5970 57.3226 29.0180 176.5505 10 L 3.7856 7.1456 121.1739 55.4393 42.0247 177.7195 11 T 4.3466 8.1526 114.2738 60.1041 71.9847 175.2207 12 A 4.0182 8.3921 122.1452 55.5908 18.1625 179.6036 13 D 4.2392 7.9251 116.6801 57.4938 40.9877 178.9798 14 V 3.5089 7.5058 118.6110 65.7650 31.4223 178.1859 15 K 3.8105 8.4259 118.6604 59.1939 31.8298 179.0323 16 K 3.8777 8.0902 119.8077 59.8121 32.1512 178.3606 17 D 4.5426 8.0998 118.9170 57.3978 40.6018 178.9211 18 L 3.7702 7.9753 119.3271 57.8443 41.5474 179.7861 19 R 4.0318 8.1588 118.0185 59.3785 28.6797 178.8600 20 D 4.4684 8.5977 119.2419 57.5592 40.8452 179.1438 21 S 3.1767 8.2761 114.7320 60.7636 63.0093 176.2459 22 W 4.2322 8.8105 132.3308 60.1251 30.2348 177.7686 23 K 3.8974 8.1170 117.9233 59.2971 31.8669 178.4690 24 V 3.9049 6.9340 115.0264 65.1233 32.1519 178.0397 25 I 3.4186 7.7259 119.8755 64.1393 37.0038 178.1282 26 G 2.0649 6.9321 106.8517 45.5087 0.0000 174.5305 27 S 4.0852 7.1052 113.9716 59.6466 63.7110 174.0720 28 D 4.6447 7.1534 120.0423 51.5440 41.1950 175.7436 29 K 3.9562 8.1535 124.4118 58.4456 32.3988 178.2928 30 K 3.9625 8.0621 119.6310 59.5859 32.1952 178.9206 31 G 3.6072 8.3356 107.1203 47.4364 0.0000 175.4757 32 N 4.4104 8.2692 119.5288 55.6457 38.5501 177.8975 33 G 3.5209 8.2735 107.6408 47.7437 0.0000 175.9293 34 V 3.5403 7.8123 120.7500 65.4355 31.4601 177.6651 35 A 3.9129 7.9044 120.4988 55.2922 18.1102 179.2924 36 L 3.7677 7.8144 117.1769 58.3894 41.7643 179.9040 37 M 3.4973 7.8002 118.3389 58.4464 31.8993 179.0481 38 T 3.9412 8.0121 110.2489 65.0004 68.8659 176.7283 39 T 3.7748 8.0007 118.7749 66.1021 68.3622 176.0063 40 L 3.7864 7.7134 122.4199 58.5039 41.9613 179.1822 41 F 4.5159 7.5409 117.0340 60.6180 38.5578 177.6163 42 A 4.1666 7.9444 119.7091 54.8673 18.3355 178.7715 43 D 4.6502 8.1704 115.8414 55.0626 42.9021 176.8136 44 N 5.3342 8.2284 115.7435 49.6265 39.2521 175.0739 45 Q 4.3371 8.2930 121.2719 58.0418 29.1727 178.0295 46 E 4.1473 8.2643 118.0670 58.6388 29.6993 178.3579 47 T 4.3984 8.3057 110.6787 63.5469 69.2577 176.6320 48 I 3.6429 7.8179 123.6685 64.4874 36.8885 178.0738 49 G 3.6355 8.0546 106.9548 48.8658 0.0000 174.2114 50 Y 4.2921 7.7175 116.4306 60.0304 38.0082 176.8621 51 F 4.8892 8.3040 118.9202 56.7700 39.6717 177.7301 52 K 3.8505 8.2629 123.4885 59.9872 32.2534 178.7752 53 R 3.9506 8.0415 118.5367 59.0371 30.0375 177.0325 54 L 4.2422 8.1092 116.3346 55.0936 42.7291 179.0605 55 G 3.7583 7.7263 106.4396 45.7820 0.0000 175.0666 56 N 4.5145 8.4697 122.7541 52.7144 38.0796 176.3047 57 V 3.7990 8.0361 120.3899 63.3542 31.4801 178.1751 58 S 4.2375 8.0104 113.5462 60.8213 63.0242 175.6914 59 Q 4.1763 8.1221 120.6826 56.7488 28.9189 177.0805 60 G 3.7306 8.4142 110.0615 46.3248 0.0000 176.3759 61 M 4.0131 8.8653 120.4122 58.2961 32.3419 177.5391 62 A 3.9826 7.6538 120.6678 54.3825 18.8390 177.3276 63 N 4.5913 8.1495 115.0110 52.9671 39.1900 175.1798 64 D 4.4416 8.6531 129.3857 57.4660 41.0277 178.9347 65 K 4.0372 8.1386 118.5725 59.1512 32.1231 179.0909 66 L 4.0405 8.5202 120.9833 58.0874 42.0866 178.9924 67 R 4.0208 8.5508 119.3096 59.4666 30.1156 178.7489 68 G 3.6795 8.4714 105.8885 48.0342 0.0000 175.2024 69 H 4.2849 8.5254 120.5936 59.1758 29.6779 177.6567 70 S 4.1152 8.1016 116.1650 61.5483 63.0698 176.4273 71 I 3.9439 7.9127 122.5160 64.7345 37.0209 178.5487 72 T 4.0448 7.9399 116.5085 66.6675 68.4131 176.2021 73 L 3.8671 8.2628 122.5381 58.6217 41.9190 179.0777 74 M 4.2342 7.9257 117.9657 58.4479 31.7810 178.1822 75 Y 3.9368 7.9931 116.1469 60.2529 38.0570 177.8339 76 A 3.4915 7.6762 121.7446 54.8548 18.3025 179.4985 77 L 3.3588 7.3116 117.0597 57.4386 41.5222 179.2631 78 Q 3.5812 7.8609 119.8756 59.1089 29.0608 177.9979 79 N 4.2957 8.1284 117.8777 56.8575 38.7830 176.4571 80 F 4.3986 7.7336 117.5068 60.9653 39.2826 177.5086 81 I 3.6856 7.7025 119.1345 64.5451 36.6456 178.3667 82 D 4.4658 8.0849 118.4242 56.9405 40.8966 177.8643 83 Q 4.3674 7.8407 116.5376 56.1733 28.6874 177.5681 84 L 3.9514 7.5025 121.1987 57.7916 41.7319 177.9357 85 D 4.4338 7.9658 116.1913 55.4798 41.3214 176.3271 86 N 4.8216 7.9616 117.7696 50.2087 39.8177 171.9815 87 P 4.1414 0.0000 0.0000 65.6781 31.4992 177.7750 88 D 4.4944 8.4444 117.4312 57.5566 40.7444 178.6490 89 D 4.3703 8.2534 118.9013 57.1872 40.9012 178.2853 90 L 3.9420 8.1672 121.1188 58.1024 41.9627 179.1826 91 V 3.5559 8.1702 118.7590 66.2136 31.3835 177.8655 92 C 4.1622 7.9887 113.6839 61.2069 29.4831 176.2672 93 V 3.7186 7.9468 115.1878 63.9631 31.2257 178.4120 94 V 3.6676 8.0246 118.2875 66.3425 31.3686 177.9767 95 E 4.0329 8.4058 118.2314 59.0763 28.6884 179.3096 96 K 3.7950 7.8183 119.7048 59.6915 31.8239 179.0087 97 F 4.5994 8.5303 119.0620 59.8306 38.8028 177.4526 98 A 4.0105 8.6196 121.1020 55.2097 18.1460 179.7222 99 V 3.5400 7.7278 116.4807 66.3873 31.2688 177.8702 100 N 4.3293 7.9348 115.0845 56.4219 38.3319 176.5773 101 H 4.5185 7.8119 115.6954 57.7389 29.4381 177.5439 102 I 3.7482 8.2979 122.3999 64.5444 36.7359 178.4702 103 T 3.9677 7.8702 108.5898 63.8383 68.7193 175.1030 104 R 4.3663 7.7168 119.0958 55.1351 30.4759 175.7623 105 K 3.8253 7.6190 116.1508 57.5185 29.8137 176.0452 106 I 4.0581 7.6098 120.4783 59.8960 37.5333 177.2252 107 S 4.4212 8.7111 120.7971 57.6449 65.1637 174.7051 108 A 4.0176 8.6046 124.0017 55.5454 17.8380 179.9647 109 A 4.0163 7.9169 117.5644 55.4101 18.8779 179.2883 110 E 4.1487 8.5338 117.2443 59.2756 29.6390 179.2147 111 F 4.0571 8.7843 121.4633 61.2166 39.5546 177.3471 112 G 3.8423 8.3404 104.8460 47.1533 0.0000 175.3705 113 K 4.1207 7.9215 120.5528 58.8303 31.9908 178.7098 114 I 3.5888 7.5272 118.8878 63.4355 37.6373 177.2318 115 N 4.4336 8.1132 117.9290 56.6047 38.3682 176.9141 116 G 3.6713 7.6129 106.7832 47.4261 0.0000 173.6140 117 P 4.2065 0.0000 0.0000 64.9979 31.3148 178.8848 118 I 3.4834 7.7226 118.2957 64.1735 36.9858 178.1740 119 K 3.8645 8.2847 120.8233 59.6377 31.9283 178.9098 120 K 3.9410 8.0907 118.5163 59.4064 32.0210 179.5957 121 V 3.5094 7.9355 118.7396 65.7790 31.4290 177.9084 122 L 3.9628 8.1265 118.8279 57.9412 41.4638 179.0808 123 A 4.1430 8.1812 120.9048 55.6160 18.0052 179.7684 124 S 4.0876 7.9413 111.2693 60.8329 62.8417 175.9396 125 K 4.4051 7.2033 118.9719 55.2702 32.3328 175.8539 126 N 4.0899 7.9922 114.7856 54.1898 36.4917 174.0885 127 F 4.2867 8.1224 117.7177 56.5394 40.0227 176.7702 128 G 4.1796 8.5982 116.7818 44.4456 0.0000 173.1767 129 D 4.4756 8.8212 118.9876 57.3824 40.9356 178.2430 130 K 3.8176 8.1793 119.5767 59.8937 32.1410 178.2700 131 Y 4.0141 8.0490 116.0476 61.0695 37.8962 178.0254 132 A 4.2353 8.3921 121.7592 55.2985 18.4739 179.4536 133 N 4.3097 8.6129 115.0379 56.2575 38.5812 177.4638 134 A 3.9090 8.0283 122.1620 55.0692 18.4390 179.7031 135 W 3.8666 8.4548 117.2115 59.8546 29.1059 178.5546 136 A 4.4363 8.3839 122.1390 54.6389 17.5182 179.8951 137 K 3.9485 7.6427 115.9385 59.2823 32.4622 179.1130 138 L 3.9238 7.5921 120.3223 58.1238 41.9665 178.9649 139 V 3.7909 8.1860 118.2496 66.3066 31.4557 177.8617 140 A 4.6292 7.9819 121.5692 54.3045 17.8901 179.8078 141 V 3.4095 7.2546 116.3255 66.1490 31.8950 178.1284 142 V 3.5213 7.5244 117.4123 66.0865 31.5671 177.8492 143 Q 3.9447 8.3313 117.6485 58.7748 28.2559 178.6698 144 A 4.0321 7.7058 120.6389 54.2206 18.4580 178.4440 145 A 4.3621 7.6745 116.9916 52.2623 19.4267 177.1857 146 L 4.2291 7.5119 122.6627 54.6197 42.0636 176.2920 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 2 S 8.19 4.45 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.31 3.36 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 0.99 0.00 0.00 0.94 0.00 0.00 4 Y 8.85 3.98 0.00 3.09 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 5 D 8.00 4.33 0.00 2.91 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 6 A 7.95 4.05 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 7 A 8.58 3.72 1.17 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 0.00 0.00 8 A 7.98 3.71 0.94 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 9 Q 7.45 4.13 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.63 0.00 10 L 7.15 3.79 0.00 1.58 1.57 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.15 4.35 4.19 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 1.20 0.00 0.00 12 A 8.39 4.02 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 13 D 7.93 4.24 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.51 3.51 2.18 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 0.89 0.00 0.00 0.85 0.00 0.00 15 K 8.43 3.81 0.00 1.86 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.54 7.81 16 K 8.09 3.88 0.00 1.93 2.04 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 D 8.10 4.54 0.00 2.74 2.50 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 18 L 7.98 3.77 0.00 1.64 1.28 0.56 -0.56 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 19 R 8.16 4.03 0.00 1.96 2.05 0.00 3.13 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 1.69 1.66 0.00 20 D 8.60 4.47 0.00 2.99 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 21 S 8.28 3.18 0.00 3.33 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 22 W 8.81 4.23 0.00 3.78 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 23 K 8.12 3.90 0.00 2.05 1.92 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.56 7.81 24 V 6.93 3.90 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 1.12 0.00 0.00 1.08 0.00 0.00 25 I 7.73 3.42 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 1.03 0.65 0.61 0.00 0.00 26 G 6.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.11 4.09 0.00 3.92 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 28 D 7.15 4.64 0.00 2.74 2.41 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 29 K 8.15 3.96 0.00 1.77 1.73 0.00 1.20 0.00 0.00 0.89 0.00 0.00 2.27 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.37 7.81 30 K 8.06 3.96 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 31 G 8.34 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 32 N 8.27 4.41 0.00 2.73 2.71 0.00 0.00 6.96 7.20 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 33 G 8.27 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 0.00 0.00 0.00 34 V 7.81 3.54 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 1.09 0.00 0.00 0.96 0.00 0.00 35 A 7.90 3.91 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 36 L 7.81 3.77 0.00 1.88 1.59 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.80 3.50 0.00 1.62 1.95 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 38 T 8.01 3.94 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 1.29 0.00 0.00 39 T 8.00 3.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 40 L 7.71 3.79 0.00 1.52 1.20 0.86 1.00 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 41 F 7.54 4.52 0.00 3.20 2.95 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 42 A 7.94 4.17 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 43 D 8.17 4.65 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.23 5.33 0.00 2.95 2.91 0.00 0.00 7.10 8.66 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 45 Q 8.29 4.34 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 46 E 8.26 4.15 0.00 2.16 2.23 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 2.44 2.36 0.00 47 T 8.31 4.40 4.83 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 1.45 0.00 0.00 48 I 7.82 3.64 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.73 0.00 0.00 49 G 8.05 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.72 4.29 0.00 2.93 2.50 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 51 F 8.30 4.89 0.00 3.20 3.06 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 K 8.26 3.85 0.00 1.93 2.09 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.46 7.81 53 R 8.04 3.95 0.00 1.82 2.06 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 L 8.11 4.24 0.00 1.84 1.77 1.03 1.35 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 55 G 7.73 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.47 4.51 0.00 2.71 2.73 0.00 0.00 6.95 7.71 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 57 V 8.04 3.80 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 0.68 0.00 0.00 0.18 0.00 0.00 58 S 8.01 4.24 0.00 4.03 3.97 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 59 Q 8.12 4.18 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.88 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 60 G 8.41 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 0.00 0.00 0.00 61 M 8.87 4.01 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.65 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 63 N 8.15 4.59 0.00 2.80 2.92 0.00 0.00 7.05 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.65 4.44 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.14 4.04 0.00 2.10 1.91 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.52 4.04 0.00 1.81 1.87 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.55 4.02 0.00 2.05 2.09 0.00 3.16 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 68 G 8.47 3.68 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 0.00 0.00 0.00 69 H 8.53 4.28 0.00 3.44 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.10 4.12 0.00 4.07 3.97 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 71 I 7.91 3.94 1.96 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 1.58 1.17 1.17 0.00 0.00 72 T 7.94 4.04 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 1.30 0.00 0.00 73 L 8.26 3.87 0.00 1.61 1.77 0.90 0.81 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 74 M 7.93 4.23 0.00 2.11 2.20 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 2.80 2.91 0.00 75 Y 7.99 3.94 0.00 3.24 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 76 A 7.68 3.49 0.24 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 77 L 7.31 3.36 0.00 1.44 1.07 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.86 3.58 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 79 N 8.13 4.30 0.00 2.99 2.97 0.00 0.00 7.26 7.76 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 80 F 7.73 4.40 0.00 2.99 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 81 I 7.70 3.69 1.57 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.86 0.00 0.00 82 D 8.08 4.47 0.00 2.82 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 83 Q 7.84 4.37 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 84 L 7.50 3.95 0.00 1.53 1.66 0.81 1.30 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 85 D 7.97 4.43 0.00 2.66 2.70 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 86 N 7.96 4.82 0.00 2.73 2.67 0.00 0.00 7.02 7.81 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 87 P 0.00 4.14 0.00 2.15 1.77 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 88 D 8.44 4.49 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.25 4.37 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.17 3.94 0.00 1.87 1.73 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.17 3.56 2.34 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 1.14 0.00 0.00 1.11 0.00 0.00 92 C 7.99 4.16 0.00 3.18 3.18 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 93 V 7.95 3.72 2.39 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 0.95 0.00 0.00 1.26 0.00 0.00 94 V 8.02 3.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.39 0.00 0.00 95 E 8.41 4.03 0.00 2.03 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 2.31 2.54 0.00 96 K 7.82 3.80 0.00 1.75 1.66 0.00 0.95 0.00 0.00 0.95 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.44 7.81 97 F 8.53 4.60 0.00 3.48 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.62 4.01 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 99 V 7.73 3.54 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 1.00 0.00 0.00 0.98 0.00 0.00 100 N 7.93 4.33 0.00 3.08 2.87 0.00 0.00 7.00 8.04 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 0.00 101 H 7.81 4.52 0.00 3.38 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.30 3.75 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.91 0.00 0.00 103 T 7.87 3.97 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 1.29 0.00 0.00 104 R 7.72 4.37 0.00 1.79 1.79 0.00 3.35 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 105 K 7.62 3.83 0.00 1.95 1.94 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.45 7.81 106 I 7.61 4.06 1.94 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 1.01 0.00 0.00 107 S 8.71 4.42 0.00 4.09 4.11 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 0.00 108 A 8.60 4.02 1.40 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 0.00 0.00 109 A 7.92 4.02 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 0.00 110 E 8.53 4.15 0.00 2.23 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 2.44 2.39 0.00 111 F 8.78 4.06 0.00 3.27 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 0.00 112 G 8.34 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 0.00 113 K 7.92 4.12 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.70 7.81 114 I 7.53 3.59 1.49 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.74 0.00 0.00 115 N 8.11 4.43 0.00 2.93 2.90 0.00 0.00 6.71 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.61 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.21 0.00 2.15 2.15 0.00 3.69 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 2.00 2.10 0.00 118 I 7.72 3.48 1.97 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 1.19 0.79 0.64 0.00 0.00 119 K 8.28 3.86 0.00 1.89 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.09 3.94 0.00 1.93 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.61 7.81 121 V 7.94 3.51 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 0.88 0.00 0.00 0.86 0.00 0.00 122 L 8.13 3.96 0.00 1.98 1.98 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.18 4.14 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 0.00 124 S 7.94 4.09 0.00 4.02 4.13 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 0.00 125 K 7.20 4.41 0.00 2.12 2.00 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 126 N 7.99 4.09 0.00 2.57 2.75 0.00 0.00 6.85 7.63 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 0.00 127 F 8.12 4.29 0.00 3.13 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 0.00 128 G 8.60 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 0.00 0.00 0.00 0.00 129 D 8.82 4.48 0.00 2.75 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 0.00 130 K 8.18 3.82 0.00 1.77 1.69 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.18 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.41 7.81 131 Y 8.05 4.01 0.00 3.46 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 0.00 132 A 8.39 4.24 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 0.00 133 N 8.61 4.31 0.00 2.91 2.89 0.00 0.00 6.87 8.02 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 0.00 134 A 8.03 3.91 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 0.00 135 W 8.45 3.87 0.00 3.62 3.37 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 0.00 136 A 8.38 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.64 3.95 0.00 1.84 1.81 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 138 L 7.59 3.92 0.00 1.45 1.64 0.66 0.77 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 0.00 139 V 8.19 3.79 2.33 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 1.24 0.00 0.00 1.21 0.00 0.00 140 A 7.98 4.63 1.40 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 0.00 0.00 141 V 7.25 3.41 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 0.64 0.00 0.00 0.81 0.00 0.00 142 V 7.52 3.52 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 0.24 0.00 0.00 0.86 0.00 0.00 143 Q 8.33 3.94 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 144 A 7.71 4.03 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 0.00 145 A 7.67 4.36 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.51 4.23 0.00 1.59 1.51 0.57 0.73 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