NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.2419 8.3044 120.3588 55.3940 33.4932 175.5743 6 D 4.5598 8.3552 125.2690 52.3915 41.3035 175.3107 7 W 4.0655 9.7145 129.3658 59.9533 29.7393 177.5940 8 D 4.6077 8.4302 118.2168 57.0353 40.0717 178.3658 9 K 4.3189 8.0306 117.9263 57.7357 32.5343 178.2021 10 T 4.2809 7.8402 108.8180 62.7330 69.8807 175.8070 11 V 3.7632 8.1263 120.0316 65.2315 32.2690 175.0756 12 G 4.2458 8.1778 102.5063 42.3739 0.0000 173.7088 13 A 4.4615 8.7359 123.2653 50.9467 20.3075 178.6169 14 A 3.9728 8.5969 124.9149 55.4079 18.5906 180.0582 15 E 3.9216 8.2556 116.4857 59.8583 29.5788 179.3272 16 D 4.3592 8.0652 118.0624 57.4874 40.9466 178.8616 17 V 3.6857 8.1772 119.0676 65.9285 31.3971 177.9722 18 R 3.9370 8.3058 118.6878 59.4694 29.7117 178.4882 19 R 3.9850 7.8467 117.3632 59.4002 30.3783 178.3394 20 I 3.9131 7.9596 119.6010 64.3419 37.2666 177.7739 21 F 4.0254 8.5935 121.9693 61.7022 39.0129 176.5484 22 E 3.9785 8.7030 118.8471 59.2979 29.0853 177.6333 23 H 4.8858 7.7268 112.3464 54.2206 29.5883 175.0650 24 I 3.7127 6.9774 123.3310 61.0423 37.7924 175.5765 25 P 4.5697 0.0000 0.0000 60.6213 29.8910 175.4408 26 A 4.3924 6.8982 118.7953 51.5700 22.4654 176.3681 27 I 4.0224 8.1668 121.9879 61.4720 38.3777 175.0835 28 L 5.3902 8.8251 126.8071 52.9014 45.3716 175.8512 29 V 4.7849 8.8830 122.2008 61.2687 35.5391 173.8788 30 G 4.4937 9.4232 114.6747 44.4382 0.0000 171.9234 31 L 5.4577 8.9231 123.3447 52.6614 46.0448 175.3398 32 E 4.8031 8.8983 118.6551 55.7803 33.6438 176.3745 33 G 4.1500 9.2692 110.2365 44.1327 0.0000 172.7422 34 P 3.1420 0.0000 0.0000 64.3760 31.6791 176.8872 35 D 4.4621 7.6985 118.1340 53.4149 41.8366 175.8780 36 H 3.9952 7.3963 115.2124 56.9556 26.7123 174.9072 37 R 4.4643 8.0701 118.9315 55.7119 31.9974 178.2494 38 F 4.3641 9.1149 122.9553 58.3195 39.2724 175.7874 39 V 4.1592 9.0826 123.8486 64.1483 33.4009 176.1559 40 A 4.6994 7.6558 120.8669 50.8965 22.3900 175.7278 41 V 5.1998 8.8004 114.9731 58.9035 36.1835 174.6602 42 N 5.3138 8.9410 120.8968 50.4426 40.1268 175.3865 43 A 4.0268 8.6319 119.7602 55.2203 18.3336 179.6978 44 A 3.9452 7.9335 118.7709 55.4141 18.4722 178.7683 45 Y 4.0776 8.3645 117.9854 61.3582 38.4324 178.9362 46 R 4.2660 8.5408 118.7752 59.0257 29.9112 179.3509 47 G 3.6403 8.3819 105.6434 47.5081 0.0000 175.3889 48 F 4.5502 8.0125 121.8982 59.6252 40.6970 175.4170 49 S 4.1389 7.5809 114.3894 55.1447 61.6830 172.1728 50 P 4.3866 0.0000 0.0000 63.3159 31.8437 177.5127 51 L 3.9805 8.0004 119.9374 57.7106 42.0407 177.4059 52 L 3.8695 7.2975 119.2873 55.4142 42.2463 176.1010 53 D 4.7724 8.0306 123.4982 54.3529 42.5653 175.0731 54 T 4.1271 7.1251 111.4734 61.6615 70.0072 171.6958 55 V 4.1586 8.1272 123.6402 62.5912 32.5599 175.8191 56 G 4.1159 8.6710 112.9819 45.5041 0.0000 174.1578 57 Q 4.4247 7.9614 118.7795 53.9866 30.3649 173.5027 58 P 4.6028 0.0000 0.0000 61.9513 32.3467 177.1577 59 A 4.3403 8.5572 124.9136 55.8334 17.9821 180.3803 60 R 3.7363 7.7523 115.7265 59.5816 29.8155 178.9925 61 E 4.0687 7.9024 117.0408 58.8985 29.4631 179.0965 62 V 3.6748 7.6284 117.3421 64.3936 33.5380 175.7007 63 Y 5.1025 8.5460 114.9448 54.6379 38.1067 174.4774 64 P 4.5314 0.0000 0.0000 64.9255 32.0251 179.3866 65 E 4.0695 8.3191 116.6026 58.7603 29.7867 178.0847 66 L 4.3568 8.0513 118.2045 55.2973 42.1188 176.5037 67 E 4.4804 8.0560 120.1603 57.7954 29.6751 177.3505 68 G 4.0433 9.2658 111.8151 45.4919 0.0000 173.6744 69 Q 4.3014 8.0780 117.4839 55.5488 29.2542 177.0109 70 Q 4.0500 8.2406 116.3122 56.9296 26.6597 175.3733 71 I 3.2899 7.3340 120.5528 64.6587 37.0719 177.9775 72 Y 4.1667 7.3950 117.0476 60.8835 37.7548 177.7108 73 E 4.0150 8.4207 119.9340 59.7632 29.7557 178.6044 74 M 4.1111 7.8363 117.7683 58.5401 32.2880 178.1792 75 L 3.9258 8.0810 119.3856 57.9449 41.6993 179.0251 76 D 4.5293 8.6482 119.1909 57.6502 40.6866 179.1060 77 R 3.9415 8.0895 118.9834 59.3095 30.0218 178.7683 78 V 3.8563 7.7531 119.1179 65.7311 31.3641 177.4099 79 Y 3.9923 8.0822 118.0749 60.7428 38.6997 177.6954 80 Q 4.1628 8.4809 118.5783 58.6680 29.1218 177.7722 81 T 4.3370 8.2288 108.9454 61.2189 69.6910 176.0941 82 G 3.8537 8.1897 108.7435 45.4058 0.0000 173.0585 83 E 4.2235 8.1013 120.9403 54.9426 29.8132 174.8052 84 P 4.8156 0.0000 0.0000 62.8205 32.6079 175.7638 85 Q 4.8637 9.0499 119.4793 54.4336 33.1502 174.5391 86 S 4.6689 8.6183 115.6853 56.8192 66.6487 173.0596 87 G 4.0405 7.4623 106.4988 44.9167 0.0000 171.4402 88 S 5.1671 8.4531 115.4694 56.5006 64.6561 173.6818 89 E 3.9717 9.6362 128.0885 56.9832 27.6941 174.9695 90 W 4.3083 8.7702 129.0177 57.8389 31.9906 174.6735 91 R 4.7175 8.5806 127.9905 55.3512 30.9366 175.3392 92 L 4.8362 9.2257 125.9486 53.2589 45.7294 175.1372 93 Q 4.9774 8.8153 126.1122 55.2534 30.1045 174.0617 94 T 4.3685 8.7235 120.5780 61.2370 71.9070 171.5342 95 D 4.9590 8.3182 123.4052 53.3783 40.7026 175.3549 96 Y 4.1458 8.7706 124.7877 59.5360 38.7328 176.2666 97 D 4.5442 8.3989 117.4487 54.5019 42.5251 177.0135 98 G 4.0269 8.7648 105.4436 45.2596 0.0000 173.6645 99 S 4.5344 7.7486 111.7875 56.9295 63.9155 173.3815 100 G 4.1471 7.8334 107.6027 43.5030 0.0000 174.0447 101 V 4.0434 8.1860 120.8365 62.8073 32.2028 175.0229 102 E 4.8847 9.7293 124.9517 54.6664 33.6667 173.6163 103 E 4.8949 8.8098 122.0343 55.6037 30.6504 175.4201 104 R 4.7805 9.1466 124.9817 54.5819 35.0999 173.7448 105 Y 5.2661 8.2857 117.1915 56.3658 42.0206 174.8635 106 F 5.3552 9.2811 120.8608 55.9900 43.3162 174.0208 107 D 5.4640 9.0127 122.9153 53.8355 43.1061 175.3239 108 F 5.3628 8.2530 114.2071 56.3437 42.0593 173.0145 109 V 5.0332 8.8492 119.4653 61.2350 35.0729 174.3166 110 V 5.1732 9.3782 127.4863 60.1627 34.4599 174.6559 111 T 5.1799 8.8089 113.9073 58.9809 72.3162 171.6959 112 P 4.9607 0.0000 0.0000 62.8004 32.9876 175.1997 113 R 4.6131 8.9928 120.9356 54.7574 32.3919 174.6392 114 R 4.9709 8.5725 125.1974 54.5352 32.1697 176.4981 115 R 4.2698 8.7515 120.9735 55.1865 31.0376 177.5831 116 A 3.9786 8.5648 121.9319 55.3788 18.2252 178.2913 117 D 4.5161 8.0381 112.5231 53.6957 39.9123 177.3356 118 G 3.9533 8.3123 109.7659 45.3128 0.0000 174.2713 119 S 4.2864 8.3658 114.8104 58.0241 63.8205 173.0694 120 I 4.6292 7.8835 122.4993 60.0408 38.0706 175.7281 121 E 4.5014 8.9456 123.0847 56.0059 31.0655 175.8925 122 G 4.0232 7.0673 105.4784 46.1380 0.0000 171.5580 123 V 5.1961 7.4762 111.4125 59.9897 36.6825 174.5975 124 Q 5.1658 9.0037 119.1335 55.1149 32.5549 173.4713 125 L 5.2079 9.0419 119.1677 54.6163 44.6669 174.1372 126 I 4.9744 8.4788 119.9797 59.2970 40.5675 174.3731 127 V 5.0308 8.5818 128.3309 61.0939 34.7421 173.9591 128 D 4.8637 9.0881 126.4498 52.2994 43.9358 174.1490 129 D 4.5007 8.8036 126.2658 53.8063 41.6603 175.7123 130 V 4.3007 8.3699 119.8883 61.5005 32.4072 178.1743 131 T 3.9527 8.1330 120.4746 67.0576 68.1292 176.5135 132 S 4.0814 7.9114 115.4156 61.1675 62.9914 176.2972 133 R 3.7698 7.8199 121.8697 59.1964 29.8258 178.4935 134 V 3.3666 7.6343 117.8830 66.0939 31.3941 178.2101 135 R 3.8261 8.0479 117.6299 59.1686 29.8630 178.9834 136 A 3.9458 8.2041 120.8361 54.8304 18.2574 179.6776 137 R 3.7797 8.2109 117.6181 59.6947 30.1790 178.6961 138 Q 4.0713 8.2493 117.8238 59.0715 28.7227 178.8959 139 A 3.9680 8.2808 121.6728 55.0387 18.3784 179.5939 140 A 3.9436 8.1448 119.3703 55.2609 18.3601 179.7466 141 E 3.8815 8.4865 117.1730 59.4921 29.4520 179.3901 142 A 4.4608 8.1039 122.2088 54.6314 18.4038 179.7438 143 R 3.8385 8.0231 117.5130 59.4540 30.1160 179.1266 144 V 3.6473 7.8108 119.1127 64.6925 31.2754 178.1619 145 E 3.9070 8.4156 119.4371 59.1287 29.1493 178.6732 146 E 3.9222 8.0991 117.9093 59.6170 29.8530 178.6946 147 L 4.1713 8.0645 118.9994 57.7330 41.4767 179.6151 148 S 4.2140 8.2456 113.2314 60.7329 63.1040 175.4628 149 E 4.2972 7.6790 119.9108 56.1720 29.9870 176.9057 150 R 4.2191 7.2260 119.5335 56.4741 30.7341 175.4511 151 Y 4.6650 7.7853 117.9379 56.6883 40.2007 173.9656 152 R 4.2359 8.4481 119.0737 54.2832 30.6506 175.2136 153 N 4.6949 7.8828 121.4394 52.9243 39.8650 175.3362 154 V 3.8469 8.0894 122.2183 62.0306 31.6094 175.9304 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 5 M 8.30 4.24 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 6 D 8.36 4.56 0.00 2.87 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 7 W 9.71 4.07 0.00 3.38 3.32 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 8 D 8.43 4.61 0.00 2.89 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 9 K 8.03 4.32 0.00 1.67 1.87 0.00 1.60 0.00 0.00 2.01 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 10 T 7.84 4.28 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 1.16 0.00 0.00 11 V 8.13 3.76 2.24 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 0.79 0.00 0.00 0.33 0.00 0.00 12 G 8.18 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 0.00 0.00 0.00 0.00 13 A 8.74 4.46 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 14 A 8.60 3.97 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 15 E 8.26 3.92 0.00 2.04 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 2.42 2.43 0.00 16 D 8.07 4.36 0.00 2.97 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 17 V 8.18 3.69 2.27 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 1.16 0.00 0.00 1.06 0.00 0.00 18 R 8.31 3.94 0.00 1.92 2.10 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 19 R 7.85 3.99 0.00 2.06 2.14 0.00 3.37 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 20 I 7.96 3.91 2.10 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 1.70 0.94 0.97 0.00 0.00 21 F 8.59 4.03 0.00 3.23 3.35 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 22 E 8.70 3.98 0.00 2.27 2.27 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 2.28 2.11 0.00 23 H 7.73 4.89 0.00 3.21 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.98 3.71 1.79 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 1.56 0.71 0.89 0.00 0.00 25 P 0.00 4.57 0.00 2.17 2.10 0.00 3.79 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 1.98 1.96 0.00 26 A 6.90 4.39 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 27 I 8.17 4.02 2.04 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.08 0.00 0.00 28 L 8.83 5.39 0.00 1.14 1.53 0.62 0.76 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 29 V 8.88 4.78 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 1.02 0.00 0.00 0.85 0.00 0.00 30 G 9.42 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.92 5.46 0.00 1.50 1.38 0.72 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.90 4.80 0.00 1.95 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 2.28 2.21 0.00 33 G 9.27 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.14 0.00 1.98 2.01 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 35 D 7.70 4.46 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.40 4.00 0.00 3.19 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.07 4.46 0.00 1.80 1.84 0.00 3.08 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 38 F 9.11 4.36 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 9.08 4.16 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 0.70 0.00 0.00 0.93 0.00 0.00 40 A 7.66 4.70 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 41 V 8.80 5.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.95 0.00 0.00 42 N 8.94 5.31 0.00 2.69 2.31 0.00 0.00 6.62 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 43 A 8.63 4.03 1.41 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 0.00 0.00 44 A 7.93 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 45 Y 8.36 4.08 0.00 3.38 3.28 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 46 R 8.54 4.27 0.00 2.00 2.03 0.00 3.23 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 47 G 8.38 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 48 F 8.01 4.55 0.00 2.95 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 49 S 7.58 4.14 0.00 2.72 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 50 P 0.00 4.39 0.00 2.05 2.07 0.00 3.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 51 L 8.00 3.98 0.00 1.60 1.67 0.89 0.95 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 52 L 7.30 3.87 0.00 1.78 1.62 0.64 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.03 4.77 0.00 2.59 2.61 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 54 T 7.13 4.13 4.22 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 1.17 0.00 0.00 55 V 8.13 4.16 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 0.88 0.00 0.00 0.96 0.00 0.00 56 G 8.67 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 57 Q 7.96 4.42 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 58 P 0.00 4.60 0.00 2.12 1.99 0.00 4.02 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 2.23 2.00 0.00 59 A 8.56 4.34 1.41 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 0.00 0.00 60 R 7.75 3.74 0.00 1.60 1.88 0.00 2.84 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 61 E 7.90 4.07 0.00 2.12 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 2.26 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 71 I 7.33 3.29 1.13 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.53 0.28 0.00 0.00 72 Y 7.39 4.17 0.00 3.03 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 73 E 8.42 4.02 0.00 2.12 2.25 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 2.47 2.46 0.00 74 M 7.84 4.11 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.01 0.00 75 L 8.08 3.93 0.00 1.65 1.25 0.75 1.18 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 76 D 8.65 4.53 0.00 2.94 2.82 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 77 R 8.09 3.94 0.00 2.12 2.13 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 78 V 7.75 3.86 2.29 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 1.20 0.00 0.00 1.03 0.00 0.00 79 Y 8.08 3.99 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.48 4.16 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 81 T 8.23 4.34 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 1.26 0.00 0.00 82 G 8.19 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.22 0.00 2.06 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 2.34 2.44 0.00 84 P 0.00 4.82 0.00 1.96 2.09 0.00 3.64 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 2.04 2.14 0.00 85 Q 9.05 4.86 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 86 S 8.62 4.67 0.00 3.68 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 87 G 7.46 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 88 S 8.45 5.17 0.00 3.84 3.74 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 E 9.64 3.97 0.00 2.18 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 2.24 2.25 0.00 90 W 8.77 4.31 0.00 3.85 3.30 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 91 R 8.58 4.72 0.00 1.79 1.72 0.00 3.39 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.00 92 L 9.23 4.84 0.00 2.03 1.72 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.82 4.98 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 94 T 8.72 4.37 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 95 D 8.32 4.96 0.00 2.70 2.53 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 0.00 0.00 0.00 0.00 96 Y 8.77 4.15 0.00 2.95 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 97 D 8.40 4.54 0.00 2.67 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 98 G 8.76 4.03 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 0.00 0.00 0.00 99 S 7.75 4.53 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.83 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.19 4.04 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 0.89 0.00 0.00 0.92 0.00 0.00 102 E 9.73 4.88 0.00 2.07 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 2.45 2.50 0.00 103 E 8.81 4.89 0.00 2.03 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 1.98 2.19 0.00 104 R 9.15 4.78 0.00 1.74 1.22 0.00 2.21 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 105 Y 8.29 5.27 0.00 2.67 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 0.00 106 F 9.28 5.36 0.00 3.08 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 0.00 107 D 9.01 5.46 0.00 2.67 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 0.00 108 F 8.25 5.36 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 5.03 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 1.00 0.00 0.00 0.90 0.00 0.00 110 V 9.38 5.17 2.17 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 0.97 0.00 0.00 1.00 0.00 0.00 111 T 8.81 5.18 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 P 0.00 4.96 0.00 2.08 2.09 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 113 R 8.99 4.61 0.00 2.07 1.92 0.00 3.13 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 114 R 8.57 4.97 0.00 1.84 1.82 0.00 3.26 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 115 R 8.75 4.27 0.00 2.05 1.86 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 116 A 8.56 3.98 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 0.00 117 D 8.04 4.52 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.31 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 0.00 119 S 8.37 4.29 0.00 3.96 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 0.00 120 I 7.88 4.63 1.38 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.70 0.00 0.00 121 E 8.95 4.50 0.00 2.15 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 0.00 2.38 2.27 0.00 122 G 7.07 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 0.00 0.00 0.00 123 V 7.48 5.20 2.22 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 0.91 0.00 0.00 0.95 0.00 0.00 124 Q 9.00 5.17 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 125 L 9.04 5.21 0.00 1.85 1.82 0.87 1.12 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 0.00 126 I 8.48 4.97 1.91 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 1.14 1.63 0.95 0.00 0.00 127 V 8.58 5.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 128 D 9.09 4.86 0.00 2.81 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 0.00 129 D 8.80 4.50 0.00 2.56 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 0.00 130 V 8.37 4.30 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 0.75 0.00 0.00 1.02 0.00 0.00 131 T 8.13 3.95 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 1.29 0.00 0.00 132 S 7.91 4.08 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.77 0.00 1.84 2.07 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 134 V 7.63 3.37 1.76 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 0.48 0.00 0.00 0.56 0.00 0.00 135 R 8.05 3.83 0.00 1.82 1.94 0.00 3.35 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 136 A 8.20 3.95 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 0.00 137 R 8.21 3.78 0.00 1.89 2.01 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 138 Q 8.25 4.07 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 139 A 8.28 3.97 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 0.00 140 A 8.14 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.49 3.88 0.00 2.15 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 2.31 2.39 0.00 142 A 8.10 4.46 1.36 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 0.00 143 R 8.02 3.84 0.00 1.95 2.06 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 144 V 7.81 3.65 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 0.83 0.00 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