NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2730 8.4401 118.7945 56.4877 31.0193 173.7913 2 A 4.0655 8.0706 129.0635 52.3844 22.3383 173.6676 3 E 4.1995 8.5692 117.8888 56.0506 30.6276 173.9000 4 A 4.1538 7.5299 125.8839 52.7343 22.3359 174.4590 5 H 4.5731 8.0828 114.6519 53.8687 29.0164 173.4428 6 K 4.0462 8.4905 124.9735 57.3501 30.7732 175.8575 7 C 4.9112 7.9635 130.1486 55.8983 45.3504 175.6538 8 D 4.2733 7.5849 118.6559 57.3363 40.8518 177.5940 9 I 3.9592 7.4838 119.5438 63.9522 37.6615 178.0075 10 T 3.8085 7.6273 115.7724 66.5750 68.3871 176.6032 11 L 3.7758 7.2394 121.2151 57.3868 41.7446 179.1963 12 Q 3.9052 7.3361 117.1260 59.3128 28.3939 178.4539 13 E 3.9414 8.0768 121.0600 59.0202 29.8344 178.6897 14 I 3.8303 7.4649 118.9750 63.5250 37.0098 178.5264 15 I 3.8495 7.5829 121.3805 64.3332 37.2676 178.3300 16 K 4.0262 7.8315 118.9908 59.8150 31.6638 179.6053 17 T 4.2639 7.9951 116.0025 66.5308 68.1669 176.6156 18 L 4.0101 7.6282 121.0579 57.9319 42.4306 178.1090 19 N 4.9667 8.0325 118.2165 55.4377 38.9919 177.1881 20 S 3.8555 7.7258 116.7654 61.3569 62.5784 176.3563 21 L 4.0416 7.3277 119.7735 57.0333 41.6786 178.6847 22 T 4.1340 7.5252 114.8889 64.3115 68.2049 176.1204 23 E 3.8379 7.7967 121.9294 58.3441 31.2465 177.2171 24 Q 4.4426 7.6568 120.3058 54.3488 28.1582 175.4731 25 K 4.7812 7.6018 121.4635 56.2448 33.2898 177.0840 26 T 4.5160 7.6397 113.4973 64.6995 72.2877 175.6818 27 L 4.2432 7.9595 120.5749 56.6697 42.6180 177.5859 28 C 4.5016 8.1407 116.7428 57.7640 42.5320 173.6177 29 T 4.5377 7.9242 109.0144 61.8599 68.8240 174.7099 30 E 4.4076 7.8260 119.7916 56.5285 29.8755 177.4984 31 L 4.5455 7.4732 118.9866 53.3538 43.4868 176.0708 32 T 4.6580 8.2423 111.5411 61.8401 69.8093 174.1694 33 V 4.5211 8.1651 118.8415 61.3699 35.8779 173.9348 34 T 4.8768 8.2307 120.5341 60.4802 69.6568 174.2085 35 D 4.7591 8.6936 128.5002 53.1372 41.5290 175.2864 36 I 4.2181 8.1395 119.0667 60.6423 37.7855 175.8263 37 F 4.9282 7.7148 117.4853 57.8162 39.4940 176.1578 38 A 4.4436 8.2045 125.2609 53.3119 19.6765 178.3215 39 A 4.4744 7.5843 117.3069 50.0944 19.1478 172.8651 40 S 4.6188 8.2879 113.2873 56.4925 62.9255 172.3062 41 K 4.4650 7.6068 122.3726 56.6935 34.8716 176.7973 42 D 4.8823 7.8722 117.6652 54.2614 41.4855 176.2685 43 T 4.3374 7.7799 110.0886 61.0291 70.4498 175.0918 44 T 4.5879 7.9844 117.0587 60.4527 72.8910 174.6170 45 E 3.6678 8.5748 118.0330 59.7884 29.9832 178.7343 46 K 4.2943 8.1306 119.6854 59.9351 32.6009 178.7893 47 E 4.0597 8.1427 119.4008 59.3240 29.5049 179.1496 48 T 3.9426 7.7603 114.8590 65.7087 68.4124 176.5863 49 F 4.7484 7.7220 119.6889 60.1031 39.0615 177.1655 50 C 4.6782 8.2481 117.2066 59.5857 38.1251 175.6861 51 R 4.0316 8.0002 119.1153 59.3121 29.8482 178.8710 52 A 4.2724 7.9981 119.1098 54.3834 18.3293 179.2490 53 A 4.1561 8.1060 119.8537 55.0825 18.6321 179.9953 54 T 3.7184 7.6999 114.0975 66.8127 68.5079 177.2448 55 V 3.6080 7.7037 119.6709 65.9023 31.6975 177.8962 56 L 4.2288 7.9961 118.7810 57.3351 41.4121 179.4857 57 R 4.4093 7.8626 120.4827 59.2443 30.2393 178.6530 58 Q 4.0265 8.0365 117.2257 58.5841 28.2174 178.5755 59 F 4.0763 8.1931 122.1230 60.9885 39.3311 176.1625 60 Y 4.4979 8.2081 114.4654 58.0686 38.3817 176.8821 61 S 3.5848 7.4256 114.7559 60.7567 63.2627 174.9364 62 H 4.2910 7.7019 118.1130 58.6775 28.7628 177.5320 63 H 4.1556 7.1193 116.9377 58.2709 28.4612 177.0155 64 E 4.0946 8.1262 120.3933 57.9609 30.2496 176.4455 65 K 4.6321 7.8258 118.0913 55.4142 32.7632 175.9706 66 D 4.9665 7.5761 118.9141 52.5578 44.8478 177.1157 67 T 3.9172 8.5331 120.4539 66.7671 68.2028 176.2971 68 R 3.8543 7.9949 118.9701 60.0077 30.1701 179.0018 69 C 4.3407 7.8642 117.5214 59.8402 43.8465 174.6109 70 L 3.6912 7.3385 119.8678 54.7217 41.5476 178.9903 71 G 4.1867 8.8663 104.6424 44.2751 0.0000 175.4277 72 A 4.6266 8.3388 121.2486 50.8001 19.3924 176.3105 73 T 4.7571 7.8185 107.7648 60.5803 72.3260 174.2068 74 A 4.2654 8.5317 123.7477 54.9242 18.6257 180.2088 75 Q 3.9907 8.0598 116.3963 59.4196 29.0530 178.7352 76 Q 4.1959 7.6969 118.4736 58.1389 28.5607 178.6609 77 F 3.8647 8.0647 122.1591 61.4297 39.2883 176.7337 78 H 4.3157 8.3698 116.3621 59.2847 29.9390 176.9990 79 R 4.1511 8.1390 119.8654 59.4395 30.0255 178.4451 80 H 4.2457 8.2478 118.0819 59.1461 29.6985 177.1837 81 K 3.8923 7.9013 121.1182 59.6538 32.0879 178.8168 82 Q 4.0946 7.8687 118.4945 58.5435 28.6122 178.3844 83 L 4.0770 7.7945 121.2470 58.2570 42.3881 178.8763 84 I 3.9444 7.7539 119.4482 64.2802 36.9574 178.7480 85 R 3.8866 7.8846 119.1269 59.4936 29.9077 178.8997 86 F 3.7974 8.2350 117.1343 60.5557 38.8114 178.0508 87 L 4.0078 7.8775 118.0168 57.8712 41.0759 179.2784 88 K 3.4424 7.7628 118.1625 59.6070 32.0816 179.2760 89 R 3.8201 7.7197 118.2203 59.2073 30.0814 177.9108 90 L 4.2112 7.6667 118.7090 56.7414 41.6825 177.8206 91 D 4.4203 7.9804 117.9416 57.0127 41.2024 177.5665 92 R 4.4001 7.7426 118.1825 58.2692 30.2487 178.0092 93 N 4.3300 8.0388 115.9479 55.7246 38.6361 176.7777 94 L 3.7407 7.4779 120.2268 58.0712 42.4674 178.6928 95 W 4.7450 8.4641 115.2284 58.3218 27.7655 178.1410 96 G 3.8364 8.1962 107.9230 46.9149 0.0000 175.1297 97 L 4.1573 7.4149 121.4827 57.6100 42.1795 178.1936 98 A 4.1839 7.6266 120.2563 53.6731 19.1066 177.8378 99 G 3.3708 7.0797 103.0297 46.9497 0.0000 171.5749 100 L 4.8106 7.0555 118.6672 53.0019 44.9598 173.0134 101 N 5.2168 8.1178 113.9530 53.4189 41.9610 174.6131 102 S 4.7419 7.9117 117.5411 58.3548 64.9583 175.9452 103 C 4.9467 8.1826 120.0236 54.6509 41.0878 171.8055 104 P 4.4216 0.0000 0.0000 62.4865 29.3889 175.0668 105 V 3.8575 7.8192 121.0209 61.2642 32.2710 175.8627 106 K 4.6184 8.3007 121.9355 57.4354 39.8319 176.1852 107 E 4.1872 8.0311 117.1050 54.7723 27.8113 174.7588 108 A 4.3152 7.4682 123.9723 52.3134 21.8640 175.7906 109 D 4.6465 8.0033 121.3699 53.1949 44.2935 175.3888 110 Q 4.2751 8.5850 120.9966 56.3858 28.6442 175.8947 111 S 4.7746 8.5906 122.2532 57.1832 65.2450 171.9514 112 T 4.9318 8.1764 110.9544 59.9345 70.3257 176.0430 113 L 4.2968 8.7766 125.3786 57.5274 41.9828 179.1283 114 E 3.9627 8.1572 118.4322 59.9515 29.6770 178.4012 115 N 4.4524 7.8829 115.6913 55.7992 38.7476 176.7901 116 F 4.3542 7.8150 121.7628 61.5975 39.9810 176.7716 117 L 3.7662 8.1148 118.5993 57.4173 41.4756 179.1759 118 E 3.8028 7.8604 119.3666 59.5072 29.6780 179.2243 119 R 4.2154 7.5536 118.3959 57.8518 30.0024 179.0194 120 L 3.8663 7.2479 119.5227 57.3667 41.6742 179.1598 121 K 3.9825 7.7550 119.4557 59.3725 32.3070 178.8984 122 T 3.7732 7.6012 109.7788 64.9185 68.7972 176.6888 123 I 3.5640 7.4412 122.9196 63.9296 37.1014 178.3307 124 M 3.8339 7.8230 119.1701 58.5321 31.8913 178.6055 125 R 3.9008 7.8828 118.6150 59.2615 30.1111 177.7062 126 E 3.8405 7.8336 118.4991 59.5072 29.5445 178.7250 127 K 4.0623 7.8200 118.2805 58.4790 32.4061 177.4024 128 Y 4.6248 7.5102 115.5197 58.8451 38.0051 176.9679 129 S 4.3800 8.0480 114.0242 59.7590 62.5556 173.9586 130 K 4.5096 7.2230 119.8055 56.2607 32.7893 175.6086 131 C 4.3760 8.1372 117.8928 59.8835 43.6092 174.0268 132 S 4.7789 7.7259 112.3622 57.1310 64.4630 174.0983 133 S 4.2756 8.2809 116.2954 58.8790 63.4099 174.1688 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 E 8.44 4.27 0.00 2.08 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 2.16 2.30 0.00 2 A 8.07 4.07 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 3 E 8.57 4.20 0.00 1.95 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 2.26 2.28 0.00 4 A 7.53 4.15 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 5 H 8.08 4.57 0.00 3.17 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.49 4.05 0.00 1.69 1.78 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 7 C 7.96 4.91 0.00 2.91 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 8 D 7.58 4.27 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.48 3.96 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.87 0.00 0.00 10 T 7.63 3.81 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 1.11 0.00 0.00 11 L 7.24 3.78 0.00 1.52 0.99 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.34 3.91 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 13 E 8.08 3.94 0.00 2.25 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 2.28 2.32 0.00 14 I 7.46 3.83 1.95 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 1.41 0.74 0.79 0.00 0.00 15 I 7.58 3.85 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.84 0.97 0.00 0.00 16 K 7.83 4.03 0.00 1.79 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 T 8.00 4.26 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 18 L 7.63 4.01 0.00 1.90 1.86 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.03 4.97 0.00 2.89 2.76 0.00 0.00 7.09 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 20 S 7.73 3.86 0.00 3.69 2.63 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 0.00 0.00 0.00 0.00 21 L 7.33 4.04 0.00 1.50 1.63 0.99 1.20 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 22 T 7.53 4.13 4.24 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 1.17 0.00 0.00 23 E 7.80 3.84 0.00 1.99 1.89 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 2.29 2.27 0.00 24 Q 7.66 4.44 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.28 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 25 K 7.60 4.78 0.00 1.87 1.79 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.41 7.81 26 T 7.64 4.52 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 1.22 0.00 0.00 27 L 7.96 4.24 0.00 1.58 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.14 4.50 0.00 3.07 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 29 T 7.92 4.54 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 1.36 0.00 0.00 30 E 7.83 4.41 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 31 L 7.47 4.55 0.00 1.45 1.50 0.41 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.24 4.66 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 1.25 0.00 0.00 33 V 8.17 4.52 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 1.04 0.00 0.00 0.70 0.00 0.00 34 T 8.23 4.88 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 1.09 0.00 0.00 35 D 8.69 4.76 0.00 2.76 2.62 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 0.00 0.00 0.00 0.00 36 I 8.14 4.22 1.60 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.81 0.00 0.00 37 F 7.71 4.93 0.00 3.26 3.02 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 38 A 8.20 4.44 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 39 A 7.58 4.47 1.21 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 0.00 0.00 0.00 40 S 8.29 4.62 0.00 3.88 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 41 K 7.61 4.46 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 42 D 7.87 4.88 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 43 T 7.78 4.34 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 1.22 0.00 0.00 44 T 7.98 4.59 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 1.22 0.00 0.00 45 E 8.57 3.67 0.00 2.44 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 2.48 2.66 0.00 46 K 8.13 4.29 0.00 2.11 2.24 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.60 7.81 47 E 8.14 4.06 0.00 2.03 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 2.43 2.43 0.00 48 T 7.76 3.94 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 1.11 0.00 0.00 49 F 7.72 4.75 0.00 3.45 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 50 C 8.25 4.68 0.00 3.35 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 51 R 8.00 4.03 0.00 1.98 1.91 0.00 3.16 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 52 A 8.00 4.27 1.69 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 53 A 8.11 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.70 3.72 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 1.15 0.00 0.00 55 V 7.70 3.61 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 0.75 0.00 0.00 0.86 0.00 0.00 56 L 8.00 4.23 0.00 2.19 1.79 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.86 4.41 0.00 2.09 2.10 0.00 3.08 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 58 Q 8.04 4.03 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 59 F 8.19 4.08 0.00 3.31 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 60 Y 8.21 4.50 0.00 3.39 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 61 S 7.43 3.58 0.00 3.81 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 62 H 7.70 4.29 0.00 3.20 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.12 4.16 0.00 2.85 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.13 4.09 0.00 2.02 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 2.24 2.35 0.00 65 K 7.83 4.63 0.00 1.68 1.62 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 66 D 7.58 4.97 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.53 3.92 4.24 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 1.24 0.00 0.00 68 R 7.99 3.85 0.00 1.73 1.92 0.00 3.18 0.00 0.00 3.12 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 69 C 7.86 4.34 0.00 2.81 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 70 L 7.34 3.69 0.00 1.70 1.61 0.94 -0.04 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 71 G 8.87 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 0.00 0.00 0.00 0.00 72 A 8.34 4.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.82 4.76 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 1.24 0.00 0.00 74 A 8.53 4.27 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 75 Q 8.06 3.99 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 76 Q 7.70 4.20 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 77 F 8.06 3.86 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.37 4.32 0.00 3.31 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.14 4.15 0.00 2.15 2.01 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 80 H 8.25 4.25 0.00 3.28 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.90 3.89 0.00 2.00 1.76 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.51 7.81 82 Q 7.87 4.09 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 83 L 7.79 4.08 0.00 1.84 1.92 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.75 3.94 1.91 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 1.60 1.11 1.14 0.00 0.00 85 R 7.88 3.89 0.00 1.99 1.96 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 86 F 8.23 3.80 0.00 3.30 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.88 4.01 0.00 2.10 1.78 1.28 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.76 3.44 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.96 1.59 7.81 89 R 7.72 3.82 0.00 1.70 1.91 0.00 2.96 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 90 L 7.67 4.21 0.00 1.81 1.67 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.98 4.42 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 92 R 7.74 4.40 0.00 2.01 1.91 0.00 3.43 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 93 N 8.04 4.33 0.00 2.96 2.77 0.00 0.00 6.47 6.02 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 94 L 7.48 3.74 0.00 1.80 1.86 0.87 1.72 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 95 W 8.46 4.75 0.00 3.85 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 96 G 8.20 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 97 L 7.41 4.16 0.00 1.47 1.65 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.63 4.18 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.08 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 0.00 0.00 0.00 100 L 7.06 4.81 0.00 1.68 1.86 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.12 5.22 0.00 2.78 2.74 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.91 4.74 0.00 3.90 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 0.00 103 C 8.18 4.95 0.00 2.90 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.42 0.00 2.03 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 105 V 7.82 3.86 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 0.75 0.00 0.00 0.86 0.00 0.00 106 K 8.30 4.62 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.39 7.81 107 E 8.03 4.19 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 108 A 7.47 4.32 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 0.00 109 D 8.00 4.65 0.00 2.62 2.64 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 0.00 110 Q 8.59 4.28 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 111 S 8.59 4.77 0.00 4.01 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 0.00 112 T 8.18 4.93 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 1.24 0.00 0.00 113 L 8.78 4.30 0.00 2.08 2.00 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.16 3.96 0.00 2.10 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 2.43 2.41 0.00 115 N 7.88 4.45 0.00 2.95 2.90 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 0.00 116 F 7.81 4.35 0.00 3.09 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 0.00 117 L 8.11 3.77 0.00 1.89 1.65 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.86 3.80 0.00 2.00 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 2.22 2.27 0.00 119 R 7.55 4.22 0.00 1.30 0.66 0.00 3.02 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 120 L 7.25 3.87 0.00 1.54 1.56 0.63 0.63 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 0.00 121 K 7.76 3.98 0.00 1.75 1.72 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 122 T 7.60 3.77 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 1.12 0.00 0.00 123 I 7.44 3.56 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.79 0.00 0.00 124 M 7.82 3.83 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.89 0.00 125 R 7.88 3.90 0.00 2.04 1.88 0.00 3.12 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 126 E 7.83 3.84 0.00 2.14 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 2.29 2.30 0.00 127 K 7.82 4.06 0.00 1.83 1.35 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 128 Y 7.51 4.62 0.00 3.26 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 0.00 129 S 8.05 4.38 0.00 4.06 3.90 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 0.00 130 K 7.22 4.51 0.00 1.71 1.75 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 131 C 8.14 4.38 0.00 3.24 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 0.00 132 S 7.73 4.78 0.00 4.00 3.90 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 0.00 133 S 8.28 4.28 0.00 3.81 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