NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.2609 8.3344 115.4056 57.9303 64.8322 173.8002 -1 N 4.2420 8.0447 121.2722 53.5825 38.1542 174.8975 0 A 4.1485 8.5111 132.1708 51.9934 18.8997 178.7632 0 R 4.1685 8.5011 128.8708 55.4934 30.6997 177.2632 3 K 3.9294 8.0042 117.0029 59.2441 31.4568 178.7721 4 L 3.9801 8.0845 120.0698 58.6153 41.7662 178.8183 5 N 4.5160 8.1829 113.6162 55.1589 38.8072 175.9190 6 N 4.9061 7.7196 116.3069 52.8422 39.3096 175.5391 7 H 4.0182 7.9090 121.2890 59.6872 29.7953 176.4826 8 D 4.3432 8.1129 118.9483 57.3724 41.1209 178.1775 9 V 3.7556 7.8216 118.3679 66.1529 31.1014 177.1599 10 H 4.0580 8.4996 118.1731 59.2341 29.4831 177.1119 11 K 3.9896 8.0035 119.9725 59.7197 32.5181 178.7133 12 R 4.1470 8.3377 118.4430 59.3991 29.9415 178.4302 13 Y 3.7165 8.5515 119.7418 60.0900 38.3255 177.2473 14 Q 3.8103 7.6646 119.8735 59.4397 28.8280 177.9292 15 D 4.5730 7.4358 115.8978 55.0981 41.3476 176.8108 16 R 4.3829 7.4690 115.1643 54.9772 30.8661 177.1276 17 L 3.6135 7.2562 121.4490 58.5963 41.9150 178.7429 18 E 3.9534 7.9341 117.8034 59.2805 29.4321 178.6779 19 E 3.9072 8.0539 118.8598 59.5229 29.7479 178.5394 20 D 4.4589 8.1789 118.8745 57.1520 40.8160 178.7363 21 V 3.6382 8.3139 119.2108 66.1519 31.5185 177.5637 22 E 3.9049 8.7523 118.5023 59.5832 29.0053 179.2588 23 F 4.3007 8.4457 120.4811 61.7689 39.6564 177.3306 24 T 3.5583 8.0730 109.3215 64.5224 68.3881 176.6521 25 I 3.1566 7.5584 122.0202 63.9970 37.2037 177.3861 26 N 4.0105 7.6642 116.5606 56.0677 38.7512 175.4632 27 Y 4.2126 6.6483 113.7285 56.1655 39.8545 175.1814 28 E 2.0000 6.7594 118.4861 56.4865 27.4205 175.0916 29 L 4.2534 6.5557 117.1261 53.4324 43.2767 176.1598 30 P 4.7988 0.0000 0.0000 62.4681 32.3629 177.1881 31 L 4.3384 8.8687 119.2959 58.2076 41.3412 179.9056 32 S 4.3740 8.4370 113.6302 61.4435 62.7711 175.7180 33 C 4.5041 8.4097 119.4044 61.2982 27.9819 175.8354 34 L 4.2279 8.1633 120.1595 57.4111 41.5441 178.5814 35 W 4.6150 8.6775 128.1980 60.9169 30.7243 178.1100 36 S 4.1891 8.2001 115.1513 62.0796 62.0281 176.8425 37 T 3.9928 8.1860 117.8630 66.1408 68.4805 175.6991 38 I 4.2160 7.5260 112.5439 61.0769 38.1863 177.6455 39 K 3.5569 7.4550 121.2907 59.6787 32.0064 178.3131 40 D 4.5060 7.9034 115.4737 54.6976 39.8544 177.0439 41 F 4.4638 8.3141 123.0015 61.2040 39.6177 174.8825 42 S 4.4028 7.3394 111.4410 57.1167 65.1634 174.2561 43 S 4.4007 8.4426 118.9723 59.3353 63.8048 174.1708 44 D 4.7169 7.8719 122.1929 53.2160 42.4674 176.1350 45 F 4.6089 8.9898 128.9214 61.6183 39.5495 176.6420 46 E 3.7098 8.3478 118.2974 59.4656 29.4714 178.4613 47 E 4.0484 8.6941 118.5074 59.3539 29.5204 179.5530 48 K 4.0084 8.3720 118.5671 59.7940 32.1200 179.4250 49 T 4.0796 8.2190 116.1468 66.8344 68.3431 176.4758 50 E 4.0036 8.4433 120.2736 59.2313 29.4869 179.2658 51 A 2.9763 7.9116 120.7341 54.6909 18.2940 179.1391 52 F 3.8527 8.4183 119.4536 61.7962 39.3411 177.5529 53 F 4.0907 7.9496 116.8840 60.2800 38.6161 177.8928 54 I 3.7175 7.5807 119.8249 64.0392 36.8489 178.2323 55 L 3.9399 7.6617 121.1510 58.0521 42.0221 178.3014 56 F 3.8351 7.9455 121.0052 61.6100 39.1129 177.3958 57 K 3.8823 8.4148 117.8254 59.3531 31.8445 179.0825 58 E 3.9780 8.3360 119.6963 59.0990 29.5589 178.8960 59 L 4.0115 7.9931 119.1797 57.6065 41.6616 179.4194 60 L 3.8703 7.5708 118.8681 57.8307 41.3393 179.5806 61 R 3.8938 8.0212 117.6024 59.2447 30.1173 177.9352 62 R 4.2514 7.9550 115.0540 55.9182 30.3362 177.3146 63 G 3.8523 7.6569 106.9562 46.2350 0.0000 174.4657 64 H 4.5162 8.0684 119.3315 57.2588 29.8962 175.1431 65 L 4.4310 7.4871 118.5711 52.8029 44.2981 175.8064 66 K 4.6082 8.6661 123.7175 54.5389 37.0965 174.9574 67 L 4.9956 8.2013 120.3904 52.9482 45.1966 175.4153 68 Q 5.2088 8.8620 122.8341 54.4316 33.0265 173.9282 69 R 4.9309 8.7550 123.9693 55.3703 34.0946 174.5802 70 D 4.6519 10.0793 123.4653 55.5757 38.5152 174.5411 71 G 4.0370 9.1456 103.8746 45.7128 0.0000 173.6883 72 Q 4.7989 8.2325 119.5258 53.7204 32.0395 174.3172 73 I 4.4505 8.8826 126.0320 61.7347 37.9003 175.1863 74 I 4.5150 8.6281 127.4773 59.4937 39.1507 175.5192 75 G 3.9421 8.6159 114.4075 46.0074 0.0000 172.6968 76 H 4.9221 8.5233 121.5843 52.9715 33.0854 173.7873 77 T 4.2057 8.4003 112.1269 60.9488 70.6812 173.9332 78 P 4.3385 0.0000 0.0000 65.7895 31.4242 178.8783 79 E 3.9986 8.1466 116.9001 59.4997 29.4812 178.9689 80 E 3.9422 8.2604 118.5389 59.3556 29.5140 179.6143 81 W 4.6887 8.4477 118.9631 59.7252 29.1482 178.0587 82 E 4.1232 8.8021 119.5719 59.6286 29.0482 178.8392 83 Q 3.9981 8.1586 119.1926 59.0267 28.8702 178.0989 84 I 3.8393 7.7745 120.0822 64.5413 37.6403 178.1855 85 F 4.5459 8.9633 118.5307 60.8696 38.8949 177.8502 86 R 3.9856 8.6480 118.0537 59.5722 29.6002 178.9314 87 E 4.1868 8.3589 117.0812 58.4286 29.4591 178.1040 88 V 4.4750 7.5552 108.9182 60.2074 33.0777 175.5381 89 W 3.4857 7.9433 130.7079 56.3352 30.9533 174.1124 90 P 4.0411 0.0000 0.0000 62.7756 31.1771 176.4837 91 E 4.1061 8.4589 119.9496 58.7311 29.8033 176.7739 92 Y 4.1883 7.0419 114.0721 55.5745 42.2472 174.6369 93 E 3.4176 7.6685 123.0351 58.2506 31.0462 176.4380 94 I 4.9100 7.2254 119.2592 58.7207 40.0776 175.3333 95 E 3.9481 9.4249 129.2719 56.0302 29.7648 175.3140 96 P 4.4539 0.0000 0.0000 63.1636 33.2091 176.1715 97 N 4.9032 7.6333 120.0654 52.6469 40.3303 174.3262 *104 P 4.2475 0.0000 0.0000 63.2084 32.4619 176.1662 105 F 4.2330 8.2101 121.2667 59.1290 40.0648 173.4006 106 D 5.0362 7.4240 125.6929 51.0527 42.8809 175.1472 107 I 3.2028 8.0151 118.8491 63.8503 37.7958 178.1254 108 G 3.6856 7.2737 105.9720 46.6034 0.0000 174.4570 *110 W 4.7439 8.0910 130.8960 57.0933 32.1075 177.4545 111 L 4.0301 7.9327 116.2667 57.3427 41.3328 178.5417 112 T 4.3418 7.6252 115.1905 65.5023 68.6620 175.9579 113 V 4.4874 7.6665 109.9852 60.9621 33.6097 175.7948 114 E 4.4694 8.3795 117.0744 55.3225 31.2368 175.6039 115 A 2.7023 7.1086 122.4065 50.9688 18.8795 177.3550 116 P 3.9912 0.0000 0.0000 65.7179 31.4495 175.9137 117 A 4.6125 6.4510 113.7723 51.3756 22.8523 175.0620 118 Y 4.8268 8.8142 115.3391 55.9222 42.5329 175.3748 119 A 4.3000 8.7990 124.0056 51.9337 19.4776 177.0142 120 V 4.1682 8.3705 122.7824 60.6318 34.4705 174.1413 121 W 5.0232 9.0078 127.7173 55.1605 31.3839 174.9718 122 I 4.8458 8.7626 126.2751 59.4234 37.9338 175.2671 123 D 4.4605 9.1654 128.5434 53.8812 41.4819 175.6731 124 P 4.2740 0.0000 0.0000 65.4998 31.0803 176.9057 125 E 3.9283 7.7648 117.1215 58.7293 29.6948 176.9594 126 D 4.7467 8.1164 119.2924 53.6956 43.3457 176.7499 127 G 3.9970 8.0799 107.5716 45.1495 0.0000 173.9733 128 S 4.5210 8.0052 113.7956 58.1428 64.5896 172.4921 129 E 5.2947 8.8420 120.1570 55.0239 31.8606 174.6673 130 Y 4.8731 9.2361 125.3064 55.7738 41.1434 175.7912 131 W 4.1085 8.4221 125.4885 56.7370 29.4788 175.9379 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 8.33 4.26 0.00 3.97 4.01 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 0.00 0.00 0.00 -1 N 8.04 4.24 0.00 2.83 2.73 0.00 0.00 6.95 7.84 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 A 8.51 4.15 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 0 R 8.50 4.17 0.00 1.66 1.65 0.00 2.21 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 3 K 8.00 3.93 0.00 1.86 1.82 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 4 L 8.08 3.98 0.00 1.74 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.18 4.52 0.00 2.71 2.88 0.00 0.00 6.75 8.00 0.00 0.00 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 N 7.72 4.91 0.00 2.78 2.84 0.00 0.00 6.43 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 7 H 7.91 4.02 0.00 3.28 3.43 0.00 5.78 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 8 D 8.11 4.34 0.00 2.90 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 9 V 7.82 3.76 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 1.34 0.00 0.00 1.05 0.00 0.00 10 H 8.50 4.06 0.00 3.43 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.00 3.99 0.00 1.85 1.97 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 12 R 8.34 4.15 0.00 2.17 2.19 0.00 3.23 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 13 Y 8.55 3.72 0.00 2.46 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 14 Q 7.66 3.81 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 15 D 7.44 4.57 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 16 R 7.47 4.38 0.00 1.75 1.95 0.00 2.81 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 17 L 7.26 3.61 0.00 1.46 1.67 1.06 0.87 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 18 E 7.93 3.95 0.00 1.97 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 0.00 2.35 2.28 0.00 19 E 8.05 3.91 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 2.37 2.38 0.00 20 D 8.18 4.46 0.00 2.97 2.85 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 21 V 8.31 3.64 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 1.12 0.00 0.00 1.04 0.00 0.00 22 E 8.75 3.90 0.00 2.25 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 2.32 2.43 0.00 23 F 8.45 4.30 0.00 3.10 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 24 T 8.07 3.56 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 1.42 0.00 0.00 25 I 7.56 3.16 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.79 0.00 0.00 26 N 7.66 4.01 0.00 2.46 2.27 0.00 0.00 7.18 7.08 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 27 Y 6.65 4.21 0.00 2.48 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 28 E 6.76 2.00 0.00 1.48 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 1.62 1.79 0.00 29 L 6.56 4.25 0.00 1.65 1.68 0.56 1.03 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 30 P 0.00 4.80 0.00 2.40 2.37 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 31 L 8.87 4.34 0.00 1.95 2.18 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.44 4.37 0.00 4.20 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 33 C 8.41 4.50 0.00 3.27 3.15 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 34 L 8.16 4.23 0.00 2.23 1.99 1.25 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.68 4.62 0.00 3.53 3.43 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 0.00 36 S 8.20 4.19 0.00 4.15 4.01 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 0.00 0.00 0.00 37 T 8.19 3.99 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 1.43 0.00 0.00 38 I 7.53 4.22 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.83 0.00 0.00 39 K 7.45 3.56 0.00 1.93 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.05 1.49 7.81 40 D 7.90 4.51 0.00 2.78 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 41 F 8.31 4.46 0.00 2.99 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 42 S 7.34 4.40 0.00 3.36 3.57 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 43 S 8.44 4.40 0.00 4.04 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 44 D 7.87 4.72 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 45 F 8.99 4.61 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 46 E 8.35 3.71 0.00 2.08 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 0.00 2.37 2.36 0.00 47 E 8.69 4.05 0.00 2.07 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 2.38 2.60 0.00 48 K 8.37 4.01 0.00 2.16 1.32 0.00 1.42 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.35 1.68 7.81 49 T 8.22 4.08 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 0.60 0.00 0.00 50 E 8.44 4.00 0.00 2.17 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 2.54 2.62 0.00 51 A 7.91 2.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.42 3.85 0.00 3.21 3.03 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 53 F 7.95 4.09 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.58 3.72 1.67 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.98 0.00 0.00 55 L 7.66 3.94 0.00 1.73 1.62 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.95 3.84 0.00 2.12 2.83 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 0.00 57 K 8.41 3.88 0.00 1.94 1.87 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.88 7.81 58 E 8.34 3.98 0.00 2.21 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 0.00 2.33 2.41 0.00 59 L 7.99 4.01 0.00 1.64 1.48 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.57 3.87 0.00 1.62 1.56 0.01 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.02 3.89 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 62 R 7.95 4.25 0.00 2.04 1.92 0.00 3.50 0.00 0.00 3.47 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 63 G 7.66 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 64 H 8.07 4.52 0.00 3.15 3.60 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.49 4.43 0.00 0.59 0.96 -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.67 4.61 0.00 1.41 1.48 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.25 7.81 67 L 8.20 5.00 0.00 0.46 0.76 -0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.86 5.21 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.73 2.78 0.00 69 R 8.76 4.93 0.00 2.05 1.83 0.00 3.39 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 70 D 10.08 4.65 0.00 2.92 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 71 G 9.15 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 72 Q 8.23 4.80 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 73 I 8.88 4.45 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 1.13 0.57 1.01 0.00 0.00 74 I 8.63 4.52 2.34 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.75 0.00 0.00 75 G 8.62 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.52 4.92 0.00 1.40 2.47 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.40 4.21 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 1.23 0.00 0.00 78 P 0.00 4.34 0.00 2.19 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 79 E 8.15 4.00 0.00 2.06 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 2.40 2.47 0.00 80 E 8.26 3.94 0.00 2.09 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 2.25 2.31 0.00 81 W 8.45 4.69 0.00 3.56 3.31 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 82 E 8.80 4.12 0.00 2.19 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 0.00 1.83 1.47 0.00 83 Q 8.16 4.00 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 84 I 7.77 3.84 2.54 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 1.26 0.00 0.00 85 F 8.96 4.55 0.00 3.69 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 86 R 8.65 3.99 0.00 1.70 1.85 0.00 2.77 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.00 87 E 8.36 4.19 0.00 2.19 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 0.00 2.37 2.68 0.00 88 V 7.56 4.47 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.33 0.00 0.00 89 W 7.94 3.49 0.00 3.53 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 90 P 0.00 4.04 0.00 1.40 1.52 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.53 0.00 91 E 8.46 4.11 0.00 1.86 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 2.24 2.28 0.00 92 Y 7.04 4.19 0.00 2.72 2.56 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 93 E 7.67 3.42 0.00 1.67 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 2.44 2.59 0.00 94 I 7.23 4.91 1.81 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 1.18 0.74 0.88 0.00 0.00 95 E 9.42 3.95 0.00 2.06 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 0.00 2.29 2.30 0.00 96 P 0.00 4.45 0.00 1.90 1.68 0.00 3.60 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 1.64 1.27 0.00 97 N 7.63 4.90 0.00 2.60 1.77 0.00 0.00 6.94 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 *104 P 0.00 4.25 0.00 2.21 2.20 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 105 F 8.21 4.23 0.00 3.08 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 0.00 106 D 7.42 5.04 0.00 2.72 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 0.00 107 I 8.02 3.20 1.04 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 -0.30 0.04 -0.23 0.00 0.00 108 G 7.27 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 W 8.09 4.74 0.00 3.29 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.93 4.03 0.00 1.87 1.83 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.63 4.34 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 1.23 0.00 0.00 113 V 7.67 4.49 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 0.77 0.00 0.00 1.08 0.00 0.00 114 E 8.38 4.47 0.00 1.33 1.74 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 2.28 2.28 0.00 115 A 7.11 2.70 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.99 0.00 1.67 2.07 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.79 0.00 117 A 6.45 4.61 1.10 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 0.00 0.00 118 Y 8.81 4.83 0.00 3.06 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 0.00 119 A 8.80 4.30 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 0.00 120 V 8.37 4.17 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 -0.49 0.00 0.00 121 W 9.01 5.02 0.00 3.56 3.21 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 0.00 122 I 8.76 4.85 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.94 0.00 0.00 123 D 9.17 4.46 0.00 2.86 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 0.00 124 P 0.00 4.27 0.00 2.11 2.16 0.00 3.77 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 2.05 2.21 0.00 125 E 7.76 3.93 0.00 2.23 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 2.35 2.29 0.00 126 D 8.12 4.75 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 127 G 8.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.52 0.00 4.01 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 0.00 129 E 8.84 5.29 0.00 2.29 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 2.32 2.44 0.00 130 Y 9.24 4.87 0.00 3.16 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 0.00 131 W 8.42 4.11 0.00 3.14 3.07 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 * Residues marked with a * may have inaccurate shift predictions.