NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.7516 8.2833 119.2103 53.2593 38.9955 174.7411 -4 L 3.8410 8.3450 126.4923 56.3934 42.0625 177.4175 -3 Y 4.0028 8.1256 117.2061 60.7245 38.3556 176.9095 -2 F 4.1221 8.7417 120.3245 61.4843 39.7002 176.8730 -1 Q 4.2923 8.3926 114.1108 55.3854 29.5550 176.4023 0 G 3.5091 7.4674 109.4610 45.7428 0.0000 170.9259 -3 I 3.6228 8.0056 116.8061 63.9245 39.3556 177.4095 -2 Y 4.0521 8.5617 120.3245 61.6843 37.9002 176.9730 0 P 3.9691 0.0000 0.0000 63.9428 28.3868 173.3259 6 I 4.5967 8.0246 120.3147 60.2111 38.8913 175.2727 7 V 5.0725 8.5559 127.0640 61.1714 33.6919 174.6664 8 V 4.9782 8.9253 127.0114 59.8701 34.3663 174.1440 9 A 5.0596 8.6199 126.5072 50.6728 20.1186 176.6570 10 V 4.3635 8.4349 116.2630 60.0670 34.0792 175.2970 11 D 4.6479 9.1552 125.3461 55.8625 41.7670 176.1019 12 K 4.6495 7.4500 115.3219 53.9981 36.4094 176.1802 13 K 3.1194 8.1360 120.3055 56.3447 32.1882 177.4104 14 S 4.5341 7.9775 117.3293 56.4500 67.0914 175.0940 15 D 4.5080 8.5931 121.5027 57.3056 40.4120 179.0461 16 R 3.9449 8.0246 118.8782 59.2811 30.1887 178.1375 17 A 4.0980 8.1568 120.6715 55.1690 18.3733 179.1942 18 E 3.8606 8.6113 117.8965 59.6360 29.7530 179.3703 19 R 4.0090 8.0966 117.8832 58.9223 30.0107 179.2491 20 V 3.6020 8.0585 118.4551 66.1021 31.5305 177.9826 21 L 3.9828 8.3103 119.0797 57.9005 41.3928 179.7834 22 R 3.8723 8.1436 117.8917 59.2102 30.0292 178.9326 23 F 3.8252 8.3266 120.1256 61.1789 39.4414 176.8848 24 A 4.0677 8.4102 120.3008 55.2446 18.1737 179.3520 25 A 3.8922 8.2528 119.4143 55.2241 18.3504 179.5638 26 E 3.6911 7.8311 117.2474 59.3944 29.8131 178.5540 27 E 3.8011 7.9145 118.4399 59.5768 29.4728 179.4957 28 A 3.9263 8.0525 120.3586 55.0804 18.2364 179.6031 29 R 3.8075 8.1108 115.7795 59.7287 30.2837 179.0008 30 L 4.0858 7.8598 117.0527 57.3037 41.7006 178.9826 31 R 4.3846 7.7953 115.2838 55.4042 30.6789 176.6937 32 G 3.7537 8.4031 106.9362 46.6521 0.0000 173.5397 33 V 4.3928 7.4300 110.5597 58.1152 35.6657 173.8918 34 P 4.6507 0.0000 0.0000 62.5639 33.5007 174.6951 35 V 4.7594 8.9548 120.8000 61.6200 33.6765 173.9106 36 Y 5.4196 9.1530 126.1636 56.6569 39.9848 174.6938 37 V 4.6759 9.1751 125.6612 61.6638 33.5154 175.0890 38 V 5.3286 8.8108 120.5931 59.0328 35.4806 174.1647 39 H 5.0810 8.4179 122.0000 54.7086 33.1769 171.5388 40 S 5.1499 8.4391 120.0142 56.8355 64.4730 172.5402 41 L 4.8645 8.8844 126.1215 52.4555 45.5893 175.8236 42 P 4.0526 0.0000 0.0000 65.3419 32.1072 178.5350 43 G 3.8834 8.5071 105.3304 45.1413 0.0000 173.6247 44 G 4.1698 7.6268 109.7277 43.8837 0.0000 174.3590 45 G 3.7060 8.7704 107.2279 48.6019 0.0000 174.8348 46 R 4.1028 7.7846 116.3635 57.2964 30.6311 176.6253 47 T 4.0832 7.7207 115.2969 62.8376 67.8028 174.4108 48 K 4.4070 9.2559 127.1627 55.0654 34.3820 176.8502 49 D 4.2468 8.1489 116.6899 58.1285 40.4243 179.0265 50 E 3.9454 8.2264 117.7710 60.0538 29.6695 179.4897 51 D 4.3374 7.9033 118.1374 57.5514 40.9320 179.0175 52 I 3.7838 7.6591 119.7681 64.2659 37.2541 178.4032 53 I 3.6978 7.8414 120.7520 64.4439 36.9735 178.1746 54 E 3.9543 8.5577 120.1515 58.8442 29.4175 178.7399 55 A 3.8203 8.0127 121.1986 54.9904 18.4863 179.6313 56 K 3.9016 8.1427 117.0591 59.5102 32.0112 179.1990 57 E 3.9435 8.1331 119.4000 59.5810 29.5951 178.7951 58 T 3.9584 7.8599 115.7605 67.0050 68.5864 176.5871 59 L 4.2276 8.0385 120.5528 57.4664 41.6424 179.6246 60 S 4.2362 8.1934 113.4044 61.1106 62.2850 175.7862 61 W 4.2209 8.7112 131.3119 60.5861 30.4388 177.7460 62 A 3.2422 8.6647 120.9757 54.9732 17.7516 179.7548 63 V 3.5221 7.8905 117.0411 66.1093 31.5432 178.4156 64 S 4.0682 7.9762 113.7596 61.1796 62.7172 176.7245 65 I 3.5435 7.0665 123.6729 64.0726 36.8066 178.0450 66 I 3.5934 7.5421 120.6274 64.5725 36.9037 178.6678 67 R 4.0947 8.0692 120.1223 58.8389 29.7251 179.0954 68 K 3.8419 7.8691 116.8819 59.5266 32.0406 178.0867 69 E 4.3766 7.7179 116.2216 56.1469 29.4475 177.5360 70 G 3.8158 8.2272 107.2775 45.1410 0.0000 173.3915 71 A 4.7114 7.4435 120.9688 49.8717 22.2730 175.9024 72 E 4.3396 8.5438 120.5993 55.7301 30.9445 175.6629 73 G 4.6203 8.6481 112.8801 44.6343 0.0000 171.4824 74 E 4.9449 9.2855 120.3222 54.4628 34.3652 174.2452 75 E 4.8292 8.6486 121.6409 55.7562 31.5576 176.2599 76 H 4.6472 9.1991 120.8601 53.4468 30.4310 171.3141 77 L 4.3149 8.2005 123.6528 54.7049 43.2988 175.5680 78 L 4.5350 8.8612 125.9356 53.2385 44.2955 175.5144 79 V 5.0679 8.4007 124.5035 59.5313 31.8680 174.4570 80 R 4.4766 7.9688 121.5070 54.3334 32.2939 175.3813 81 G 3.9149 8.3057 105.8388 46.4465 0.0000 174.1425 82 K 4.7131 7.7639 116.7380 53.5445 35.6615 176.5125 83 E 4.2247 8.3975 119.9646 55.3281 31.4646 176.0608 84 P 4.2989 0.0000 0.0000 64.7587 31.5021 177.1645 85 P 4.2603 0.0000 0.0000 65.8024 31.3069 178.4396 86 D 4.3987 8.0738 117.1832 57.3330 40.7737 178.1809 87 D 4.3624 8.3591 118.9081 57.4092 41.1891 178.4815 88 I 3.8542 8.0016 120.4067 64.1997 37.1721 178.5865 89 V 3.6118 7.9197 119.0365 66.1332 31.3547 177.7722 90 D 4.3418 8.2668 118.6063 57.3143 40.6239 178.2451 91 F 4.2753 8.6057 122.2385 60.7290 39.2603 176.9215 92 A 3.9681 8.3492 120.0383 55.4636 18.1306 179.3939 93 D 4.2813 8.1008 117.1582 57.5661 40.7130 178.8580 94 E 3.9629 8.3282 119.3350 58.9948 29.2286 178.8313 95 V 4.0138 7.5621 109.6955 59.8878 32.8884 175.3531 96 D 4.2376 7.8072 117.4398 54.9867 39.8184 173.5277 97 A 4.7478 8.0903 121.5271 52.5069 19.4871 178.3846 98 I 4.0221 8.3185 121.2773 64.4149 37.9985 176.0043 99 A 4.6087 7.5835 120.3507 51.4111 22.5450 175.1666 100 I 5.0653 8.4066 119.9071 59.6262 40.5466 175.2445 101 V 5.0422 8.7744 124.8007 61.2278 34.7566 174.3844 102 I 4.9565 8.9893 120.1310 59.4366 41.4942 173.9539 103 G 4.5859 8.6868 110.2069 44.9818 0.0000 172.8697 104 I 4.8485 8.4467 115.5237 58.8533 40.8452 176.0625 105 R 4.3031 8.3988 125.6272 55.8803 29.6938 176.7990 *111 G 3.6836 8.4719 112.4187 46.0951 0.0000 172.3226 112 K 4.1389 8.4742 124.4066 56.3368 33.0624 178.3166 113 L 4.3124 8.2247 124.7239 53.6728 39.8575 176.0087 114 I 4.6507 7.0730 112.6571 58.6037 40.9515 176.2489 115 F 4.3630 8.7231 120.5357 56.5925 40.0925 176.7587 116 G 3.8633 8.5065 110.6432 44.7556 0.0000 175.1593 117 S 4.2858 8.6241 117.6218 60.7873 63.2527 177.0763 118 V 3.5551 7.7821 121.5928 65.8528 31.4123 177.6709 119 A 4.0157 7.9848 120.0122 55.1208 18.3775 179.1053 120 R 3.4205 8.0037 117.2926 59.8892 30.0102 178.4819 121 D 4.3154 8.1603 118.3772 57.0609 40.7982 178.9157 122 V 3.5659 7.8777 118.7884 66.1074 31.3677 178.0781 123 I 3.6567 7.5114 117.9852 64.4711 37.0214 178.0743 124 L 4.1569 7.6941 118.2899 57.4202 41.7285 179.2674 125 K 4.0897 8.3254 117.5319 57.8110 32.4086 177.7806 126 A 4.1668 7.3063 121.7783 52.5564 18.7634 176.7420 127 N 4.9654 8.6195 117.2937 52.8257 39.1306 174.7710 128 K 4.7328 7.6035 116.0818 53.4205 36.3559 174.1553 129 P 4.3690 0.0000 0.0000 63.4446 32.3680 175.4678 130 V 4.8623 8.3789 122.7103 61.1485 34.0796 174.3909 131 I 4.5005 9.0664 128.7010 59.7156 39.6463 174.1396 132 C 5.2247 8.6527 124.4318 57.9672 30.4219 173.3336 133 I 4.5404 8.5170 124.3649 59.0830 40.3634 176.1411 134 K 4.2849 8.5134 123.7711 57.0048 32.6859 176.0342 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 N 8.28 4.75 0.00 2.75 2.90 0.00 0.00 7.10 5.78 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 -4 L 8.35 3.84 0.00 1.42 1.50 0.84 0.60 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 -3 Y 8.13 4.00 0.00 3.25 2.98 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 -2 F 8.74 4.12 0.00 3.01 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 -1 Q 8.39 4.29 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.16 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 0 G 7.47 3.51 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 0.00 0.00 0.00 -3 I 8.01 3.62 1.87 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 1.52 1.41 0.91 0.00 0.00 -2 Y 8.56 4.05 0.00 2.90 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 0 P 0.00 3.97 0.00 2.23 1.84 0.00 2.20 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 6 I 8.02 4.60 1.86 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 1.07 0.81 0.95 0.00 0.00 7 V 8.56 5.07 2.19 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 1.29 0.00 0.00 1.09 0.00 0.00 8 V 8.93 4.98 2.14 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 0.88 0.00 0.00 0.99 0.00 0.00 9 A 8.62 5.06 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 10 V 8.43 4.36 2.28 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 0.81 0.00 0.00 1.11 0.00 0.00 11 D 9.16 4.65 0.00 2.66 2.71 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 0.00 0.00 0.00 0.00 12 K 7.45 4.65 0.00 1.69 1.56 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.45 7.81 13 K 8.14 3.12 0.00 1.24 0.78 0.00 0.64 0.00 0.00 0.65 0.00 0.00 2.52 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.90 7.81 14 S 7.98 4.53 0.00 4.01 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 15 D 8.59 4.51 0.00 2.78 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 16 R 8.02 3.94 0.00 1.91 1.96 0.00 3.34 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 17 A 8.16 4.10 1.66 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 0.00 0.00 18 E 8.61 3.86 0.00 2.28 2.26 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 2.37 2.36 0.00 19 R 8.10 4.01 0.00 2.10 2.02 0.00 3.22 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 20 V 8.06 3.60 2.32 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 1.09 0.00 0.00 1.03 0.00 0.00 21 L 8.31 3.98 0.00 1.71 1.56 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.14 3.87 0.00 2.10 2.00 0.00 3.13 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 1.63 1.71 0.00 23 F 8.33 3.83 0.00 3.24 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 24 A 8.41 4.07 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 25 A 8.25 3.89 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 26 E 7.83 3.69 0.00 1.83 1.71 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 0.00 2.05 2.19 0.00 27 E 7.91 3.80 0.00 2.17 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 2.12 2.64 0.00 28 A 8.05 3.93 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 29 R 8.11 3.81 0.00 1.89 1.96 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 30 L 7.86 4.09 0.00 1.55 1.69 0.81 0.82 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 31 R 7.80 4.38 0.00 1.77 1.97 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 32 G 8.40 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 0.00 0.00 0.00 33 V 7.43 4.39 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 0.91 0.00 0.00 0.87 0.00 0.00 34 P 0.00 4.65 0.00 2.24 2.20 0.00 3.26 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 35 V 8.95 4.76 2.11 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 1.12 0.00 0.00 0.92 0.00 0.00 36 Y 9.15 5.42 0.00 3.00 2.93 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 37 V 9.18 4.68 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 1.12 0.00 0.00 0.97 0.00 0.00 38 V 8.81 5.33 1.82 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 0.43 0.00 0.00 0.99 0.00 0.00 39 H 8.42 5.08 0.00 3.22 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.44 5.15 0.00 3.88 3.62 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 41 L 8.88 4.86 0.00 1.56 1.49 0.94 0.89 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 42 P 0.00 4.05 0.00 2.07 2.09 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 43 G 8.51 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 44 G 7.63 4.17 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 0.00 45 G 8.77 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.78 4.10 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 T 7.72 4.08 4.39 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 0.00 0.00 0.00 1.22 0.00 0.00 48 K 9.26 4.41 0.00 1.88 1.94 0.00 1.35 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 D 8.15 4.25 0.00 2.78 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 50 E 8.23 3.95 0.00 1.99 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 2.40 2.43 0.00 51 D 7.90 4.34 0.00 2.93 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 52 I 7.66 3.78 1.87 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 1.64 1.05 0.91 0.00 0.00 53 I 7.84 3.70 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.90 0.00 0.00 54 E 8.56 3.95 0.00 1.98 2.00 0.00 0.00 0.00 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 2.26 0.00 55 A 8.01 3.82 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 56 K 8.14 3.90 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 57 E 8.13 3.94 0.00 2.25 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 2.28 2.38 0.00 58 T 7.86 3.96 4.43 0.00 0.00 0.00 0.00 0.00 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 59 L 8.04 4.23 0.00 1.89 1.74 0.94 0.65 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 60 S 8.19 4.24 0.00 4.09 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 61 W 8.71 4.22 0.00 3.41 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 3.24 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 63 V 7.89 3.52 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 1.12 0.00 0.00 1.00 0.00 0.00 64 S 7.98 4.07 0.00 4.09 4.20 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 65 I 7.07 3.54 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.38 0.70 0.00 0.00 66 I 7.54 3.59 1.96 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 1.67 1.43 0.88 0.00 0.00 67 R 8.07 4.09 0.00 1.79 1.94 0.00 3.13 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 68 K 7.87 3.84 0.00 1.86 1.86 0.00 1.50 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 69 E 7.72 4.38 0.00 2.03 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 2.39 2.41 0.00 70 G 8.23 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 71 A 7.44 4.71 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 72 E 8.54 4.34 0.00 2.01 1.77 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 2.37 2.30 0.00 73 G 8.65 4.62 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 0.00 0.00 0.00 74 E 9.29 4.94 0.00 1.87 1.66 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 2.26 2.45 0.00 75 E 8.65 4.83 0.00 1.78 1.84 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 2.25 2.30 0.00 76 H 9.20 4.65 0.00 2.88 2.79 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.20 4.31 0.00 1.61 1.54 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.86 4.53 0.00 1.59 1.55 0.64 0.14 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 79 V 8.40 5.07 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 0.92 0.00 0.00 0.93 0.00 0.00 80 R 7.97 4.48 0.00 1.70 1.88 0.00 3.43 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 81 G 8.31 3.91 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 0.00 0.00 0.00 82 K 7.76 4.71 0.00 1.72 1.70 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.61 7.81 83 E 8.40 4.22 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 84 P 0.00 4.30 0.00 2.14 2.09 0.00 3.87 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 2.11 2.03 0.00 85 P 0.00 4.26 0.00 2.16 2.31 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 86 D 8.07 4.40 0.00 2.93 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 87 D 8.36 4.36 0.00 2.88 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 88 I 8.00 3.85 2.04 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 1.42 0.51 0.98 0.00 0.00 89 V 7.92 3.61 2.26 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 1.09 0.00 0.00 0.98 0.00 0.00 90 D 8.27 4.34 0.00 2.86 2.92 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 91 F 8.61 4.28 0.00 3.29 3.33 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 92 A 8.35 3.97 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 93 D 8.10 4.28 0.00 2.91 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 94 E 8.33 3.96 0.00 1.98 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 2.32 2.41 0.00 95 V 7.56 4.01 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 0.22 0.00 0.00 0.70 0.00 0.00 96 D 7.81 4.24 0.00 2.76 2.67 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 97 A 8.09 4.75 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 98 I 8.32 4.02 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 1.28 0.57 0.92 0.00 0.00 99 A 7.58 4.61 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 0.00 100 I 8.41 5.07 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 1.18 0.69 0.97 0.00 0.00 101 V 8.77 5.04 2.16 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 1.08 0.00 0.00 1.04 0.00 0.00 102 I 8.99 4.96 1.91 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 1.19 0.65 0.95 0.00 0.00 103 G 8.69 4.59 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 0.00 104 I 8.45 4.85 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 1.24 0.75 1.02 0.00 0.00 105 R 8.40 4.30 0.00 1.76 1.75 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 *111 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 0.00 112 K 8.47 4.14 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 113 L 8.22 4.31 0.00 1.61 1.59 0.91 0.72 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 0.00 114 I 7.07 4.65 1.90 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 1.55 0.64 0.92 0.00 0.00 115 F 8.72 4.36 0.00 3.07 3.05 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 0.00 116 G 8.51 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.62 4.29 0.00 4.08 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 0.00 118 V 7.78 3.56 2.11 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 1.06 0.00 0.00 0.94 0.00 0.00 119 A 7.98 4.02 1.49 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 0.00 120 R 8.00 3.42 0.00 1.70 2.17 0.00 3.08 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 121 D 8.16 4.32 0.00 2.81 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 0.00 122 V 7.88 3.57 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 1.06 0.00 0.00 1.03 0.00 0.00 123 I 7.51 3.66 1.70 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 1.52 0.73 0.84 0.00 0.00 124 L 7.69 4.16 0.00 1.61 1.65 0.79 0.72 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 0.00 125 K 8.33 4.09 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.43 7.81 126 A 7.31 4.17 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.62 4.97 0.00 2.96 2.81 0.00 0.00 6.74 7.61 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 0.00 128 K 7.60 4.73 0.00 1.69 1.67 0.00 1.98 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.37 7.81 129 P 0.00 4.37 0.00 2.21 2.01 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 130 V 8.38 4.86 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 0.84 0.00 0.00 1.03 0.00 0.00 131 I 9.07 4.50 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.68 0.00 0.00 132 C 8.65 5.22 0.00 2.81 2.84 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 0.00 133 I 8.52 4.54 1.84 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.88 0.00 0.00 134 K 8.51 4.28 0.00 1.83 1.90 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.