NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7843 8.3544 109.7421 45.2476 0.0000 173.3673 *2 F 4.4575 7.9689 120.8306 57.2394 41.0076 174.2750 3 Q 3.9772 7.3171 126.9807 53.5280 31.5566 174.1999 4 L 3.8740 8.0802 127.2733 55.1191 42.8923 176.5432 5 H 4.1463 9.4928 126.0949 56.0189 31.4691 176.1165 6 E 3.9231 8.5379 126.1002 59.7006 29.4139 179.5081 7 R 3.8873 8.1216 119.0713 59.0787 30.0332 178.2938 8 L 3.9228 7.8855 117.2671 57.6588 41.7389 178.7431 9 A 4.1051 8.1348 120.4646 55.2733 18.1142 179.6111 10 A 4.0324 8.0794 118.1468 54.7859 18.5430 178.6319 11 D 4.6628 7.7236 114.4167 53.8775 41.5350 176.0947 12 T 4.7973 6.8826 107.4241 60.0998 72.3673 172.4776 13 H 4.9938 8.5124 118.7236 53.7208 31.7479 173.7085 14 K 4.3740 8.6217 124.1271 56.4631 32.0120 176.3914 15 L 4.2201 9.0870 128.5934 55.2805 42.7669 177.5005 16 G 3.9338 6.8630 103.7958 45.9207 0.0000 169.9479 17 E 4.9248 8.3050 118.5829 54.6100 32.8707 175.9148 18 S 4.6044 8.5417 119.0417 56.7437 65.1771 173.9423 19 R 3.9877 8.5941 120.1837 59.1046 29.8177 177.1031 20 L 4.4104 8.2816 118.4331 55.4697 43.3077 175.2899 21 C 5.3338 7.9937 115.2409 57.5429 32.3161 173.3751 22 D 4.7143 8.7839 122.0113 54.3149 42.0177 175.5710 23 V 4.6742 8.7455 123.2481 61.3652 33.5682 174.2252 24 L 5.1066 8.9311 128.4310 52.4878 44.8071 175.6107 25 L 4.6288 8.9200 129.9379 54.3434 43.7326 177.8434 *27 N 4.8458 8.2280 107.4461 53.1668 40.0507 174.6365 28 D 4.8763 7.7056 118.1337 52.7888 43.5289 174.4555 29 N 4.1705 8.8575 124.1521 53.2742 37.5309 176.4935 30 T 3.6067 7.4909 116.0912 65.8620 68.5728 174.6782 31 W 5.1799 7.7483 118.2656 53.9448 33.2999 172.7948 32 P 4.4080 0.0000 0.0000 62.4602 31.7281 175.5236 33 W 5.6128 8.8260 135.0000 56.1350 33.3711 173.9201 34 V 4.8044 9.3811 128.0115 61.1643 34.0789 174.1078 35 I 5.1611 9.1703 128.4109 59.6099 40.2983 174.2951 36 L 4.9638 8.8919 126.8496 53.2695 43.8102 175.6434 37 V 4.5372 8.5974 124.5695 60.2252 33.4709 172.8627 38 P 4.5020 0.0000 0.0000 62.1478 31.6570 178.2071 39 R 2.5100 7.9495 126.2954 54.2995 28.5595 176.5606 40 V 4.3744 6.7401 116.3118 60.5398 34.6548 175.1599 41 S 4.3726 8.8472 122.0679 59.5410 63.5442 174.0278 42 G 3.8743 8.7659 109.4367 46.4373 0.0000 172.9583 43 I 4.2948 7.5779 120.7249 59.6683 38.3239 176.6043 44 R 4.9644 8.9329 124.3713 56.4267 31.2870 176.6769 45 E 4.6107 7.4972 115.1418 53.9150 33.5524 176.3629 46 I 3.6717 8.3549 122.4314 64.7780 37.2612 178.1339 47 Y 4.3281 7.6480 116.1324 59.2057 37.9433 176.4731 48 E 4.2682 7.4567 118.9945 57.3311 30.0302 176.9625 49 L 4.2112 7.5523 119.5354 53.4146 42.4426 175.7325 50 P 4.3479 0.0000 0.0000 62.8690 33.2631 176.9958 51 N 4.2658 8.8151 118.8147 57.3076 38.8688 177.1983 52 E 4.0249 8.1492 119.1449 59.4335 29.4839 179.1618 53 Q 4.0704 8.0260 117.7313 58.5971 28.8117 178.2345 54 Q 4.0126 8.3815 119.6238 59.2784 28.8031 179.0568 55 Q 4.0300 8.2522 118.9026 58.7620 28.6158 178.8008 56 R 3.9778 8.2105 120.0070 59.2403 30.1076 178.2364 57 L 3.9577 8.2560 120.5170 58.0324 41.9961 178.6405 58 L 3.9468 8.1996 120.3910 58.1190 42.0598 178.5246 59 F 4.0817 8.3488 120.4828 61.5341 39.2765 176.9949 60 E 3.7159 8.4814 118.0862 59.2900 29.1860 179.3214 61 S 4.0644 8.4216 113.5431 61.5979 62.5231 176.4030 62 S 4.0741 8.3631 118.0036 61.4073 62.5373 176.6497 63 A 3.7930 7.6827 123.4670 54.8774 17.8725 179.3197 64 L 3.8533 7.8452 118.0246 58.3952 42.2001 179.1459 65 S 4.2937 8.0603 113.9212 61.6920 62.9282 175.9384 66 E 4.2807 7.9880 120.5933 58.5327 30.8098 178.8389 67 G 3.8087 7.8769 107.2965 44.7537 0.0000 172.9514 *70 E 4.2312 8.0286 125.8600 56.4059 31.8579 177.6646 71 L 3.7891 8.0681 119.2907 57.3924 42.0777 177.3802 72 F 4.7699 8.1481 113.7290 56.1859 39.7693 175.3792 73 G 4.0720 7.7486 108.8393 46.4984 0.0000 174.0822 74 G 3.5977 7.8584 105.4091 44.9856 0.0000 173.3225 75 D 4.5699 8.1617 119.8165 56.1258 42.1173 176.6902 76 K 4.1943 7.1757 119.9572 55.8165 36.5852 173.7395 *78 N 4.6985 8.7308 114.6029 53.2749 40.2081 173.7050 79 V 5.3759 8.5729 122.5159 60.1075 34.4437 174.3559 80 A 4.7187 8.4689 126.8297 50.7119 22.8309 174.6896 81 A 4.4444 8.5713 122.4491 51.2474 20.5010 174.5598 82 L 4.1031 8.7356 121.4238 51.7284 44.4993 176.7334 83 G 3.8200 8.2571 108.5835 47.2142 0.0000 174.1135 84 N 4.2484 8.1280 112.6867 54.0634 36.8088 175.2457 *86 V 3.6700 7.6190 118.9371 62.0023 31.9387 174.0836 87 P 4.1707 0.0000 0.0000 64.3088 31.8678 175.7614 88 Q 4.4463 7.2803 120.5325 55.2869 29.0591 175.0833 89 L 4.1437 8.4512 128.6319 56.2689 42.4773 176.0505 90 H 5.1281 8.5696 120.3673 54.1358 31.8887 172.3020 91 L 4.7771 8.9926 124.0841 53.5650 44.3724 174.9752 92 H 5.1029 9.2783 124.9477 56.0780 30.4165 174.4722 93 H 5.0335 9.6642 119.3494 54.2779 32.0673 172.4624 94 I 4.7460 8.5399 125.0559 59.0869 39.4791 175.8758 95 V 3.7575 8.5251 128.3410 62.6766 31.9890 175.4738 96 R 5.0416 8.6699 126.4483 53.8604 33.6256 174.7566 97 Y 4.8021 8.5709 117.5952 55.7091 41.6956 175.2272 98 Q 2.5200 8.6357 123.3569 55.9105 29.0060 177.1026 99 G 3.9401 8.1702 113.3565 45.5912 0.0000 173.2871 100 D 4.7200 8.0301 120.1781 51.6662 40.6205 175.3273 101 P 4.3649 0.0000 0.0000 64.6651 31.5250 177.3891 102 A 4.7295 8.4607 119.0903 51.6255 20.4926 176.2971 103 W 4.4452 8.0005 126.0764 56.8847 31.1777 173.7571 104 P 3.1991 0.0000 0.0000 62.3335 30.7513 176.2431 105 G 3.7602 7.5011 109.2698 44.1162 0.0000 171.8653 106 P 4.1322 0.0000 0.0000 62.2983 32.2827 177.0011 107 V 3.0240 6.7137 112.3095 63.1378 31.6057 176.3010 108 W 4.1788 7.2086 119.4691 58.5854 28.5265 176.1109 109 G 4.0673 9.1609 112.0635 45.2170 0.0000 173.3523 110 K 4.1408 7.9774 121.7699 59.0855 32.3061 176.5423 111 Q 4.6739 7.6917 112.8199 54.2526 31.0158 171.8670 112 P 4.4760 0.0000 0.0000 61.9381 31.9216 174.8195 113 P 4.9376 0.0000 0.0000 62.4128 32.6856 175.7482 114 V 4.3785 8.6943 122.1214 60.3191 33.2237 173.2811 115 P 5.1390 0.0000 0.0000 62.2071 32.1122 176.0396 116 Y 4.1591 9.1758 120.6051 58.1832 38.4464 177.1772 117 T 4.2431 8.9470 115.3095 60.9947 71.0992 175.4330 118 E 3.8863 8.6649 121.4583 59.7090 29.6226 178.5469 119 E 4.0112 8.1392 118.6505 59.2230 29.7934 178.5609 120 Q 4.1136 8.2597 118.3511 58.8811 28.7232 178.3517 121 Q 3.7931 8.5698 120.6828 59.2261 29.0985 178.3264 122 A 3.9606 8.0507 121.7632 54.9865 18.3082 179.6098 123 S 4.0470 8.2432 111.9212 61.6751 62.7138 176.8740 124 V 3.7797 8.0163 121.8843 64.3786 31.0430 178.0601 125 K 3.8549 8.1161 119.6671 59.3923 32.4002 178.2598 126 A 4.1209 8.1420 120.9015 55.1021 18.1089 179.4044 127 K 3.8325 8.0551 117.0739 59.4459 32.4618 178.1735 128 L 4.3273 7.8803 117.0712 55.7229 41.7877 178.8185 129 Q 3.9908 7.8564 119.1121 58.3999 28.4085 176.6250 130 P 4.2237 0.0000 0.0000 65.5175 31.6284 178.0703 131 L 4.0922 7.8139 118.5306 58.1589 42.0924 178.7252 132 L 4.0254 8.1809 119.1475 57.9649 41.4629 179.3890 133 E 3.9895 8.4980 118.5656 59.4502 29.1087 179.3313 134 Q 4.1258 7.7122 117.0784 58.4203 29.0479 177.8891 135 L 4.5178 8.0042 117.9824 54.7816 41.8136 176.6890 136 A 4.2074 7.7231 127.3326 52.3897 18.4165 177.3482 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 0 G 8.35 3.78 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 0.00 0.00 0.00 *2 F 7.97 4.46 0.00 3.01 3.04 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 3 Q 7.32 3.98 0.00 1.80 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 4 L 8.08 3.87 0.00 1.66 1.51 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 H 9.49 4.15 0.00 3.25 3.10 0.00 5.65 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 6 E 8.54 3.92 0.00 2.23 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 0.00 2.27 2.25 0.00 7 R 8.12 3.89 0.00 2.01 2.01 0.00 3.23 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 8 L 7.89 3.92 0.00 1.81 1.69 0.88 0.51 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 9 A 8.13 4.11 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 10 A 8.08 4.03 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 11 D 7.72 4.66 0.00 2.71 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 12 T 6.88 4.80 4.28 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 1.14 0.00 0.00 13 H 8.51 4.99 0.00 2.98 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.62 4.37 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.49 7.81 15 L 9.09 4.22 0.00 1.72 1.71 0.93 1.16 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 16 G 6.86 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 0.00 0.00 0.00 0.00 17 E 8.31 4.92 0.00 1.91 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 0.00 2.21 2.28 0.00 18 S 8.54 4.60 0.00 4.28 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 19 R 8.59 3.99 0.00 1.83 2.17 0.00 3.22 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 20 L 8.28 4.41 0.00 1.77 1.90 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 C 7.99 5.33 0.00 2.86 2.86 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 22 D 8.78 4.71 0.00 2.66 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 23 V 8.75 4.67 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 1.08 0.00 0.00 0.96 0.00 0.00 24 L 8.93 5.11 0.00 1.59 1.49 0.94 0.46 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 25 L 8.92 4.63 0.00 1.62 1.37 0.88 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 N 8.23 4.85 0.00 2.78 2.77 0.00 0.00 6.29 8.49 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 28 D 7.71 4.88 0.00 2.69 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 29 N 8.86 4.17 0.00 1.99 1.42 0.00 0.00 7.04 7.70 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 30 T 7.49 3.61 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 31 W 7.75 5.18 0.00 3.45 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 32 P 0.00 4.41 0.00 1.56 0.67 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 33 W 8.83 5.61 0.00 3.40 3.01 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 34 V 9.38 4.80 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 1.07 0.00 0.00 1.04 0.00 0.00 35 I 9.17 5.16 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 1.00 0.00 0.00 36 L 8.89 4.96 0.00 1.68 1.61 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.60 4.54 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 1.22 0.00 0.00 1.00 0.00 0.00 38 P 0.00 4.50 0.00 1.90 1.91 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 39 R 7.95 2.51 0.00 1.46 1.43 0.00 3.06 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.22 0.00 40 V 6.74 4.37 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 0.87 0.00 0.00 0.90 0.00 0.00 41 S 8.85 4.37 0.00 4.07 3.96 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 42 G 8.77 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.58 4.29 1.88 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 1.72 0.97 0.87 0.00 0.00 44 R 8.93 4.96 0.00 1.83 1.90 0.00 3.05 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 45 E 7.50 4.61 0.00 1.16 1.12 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 2.00 1.80 0.00 46 I 8.35 3.67 1.89 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 1.46 0.51 0.94 0.00 0.00 47 Y 7.65 4.33 0.00 2.98 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 48 E 7.46 4.27 0.00 1.96 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 2.29 1.66 0.00 49 L 7.55 4.21 0.00 1.78 1.60 0.91 1.10 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 50 P 0.00 4.35 0.00 2.16 2.00 0.00 3.78 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 2.21 2.17 0.00 51 N 8.82 4.27 0.00 2.77 2.84 0.00 0.00 7.07 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 52 E 8.15 4.02 0.00 2.02 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 2.40 2.34 0.00 53 Q 8.03 4.07 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 54 Q 8.38 4.01 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 55 Q 8.25 4.03 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 56 R 8.21 3.98 0.00 1.95 2.08 0.00 3.20 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 57 L 8.26 3.96 0.00 1.88 1.86 0.95 0.80 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 58 L 8.20 3.95 0.00 1.83 1.89 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.35 4.08 0.00 3.24 3.29 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 60 E 8.48 3.72 0.00 2.19 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 2.49 2.73 0.00 61 S 8.42 4.06 0.00 3.98 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 62 S 8.36 4.07 0.00 3.90 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 63 A 7.68 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.85 3.85 0.00 1.57 1.80 0.93 0.63 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 65 S 8.06 4.29 0.00 4.00 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 66 E 7.99 4.28 0.00 1.96 1.95 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 2.32 2.33 0.00 67 G 7.88 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 0.00 0.00 0.00 *70 E 8.03 4.23 0.00 2.08 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 2.26 2.35 0.00 71 L 8.07 3.79 0.00 1.59 1.30 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.15 4.77 0.00 3.17 3.19 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 73 G 7.75 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 0.00 0.00 0.00 74 G 7.86 3.60 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 0.00 0.00 0.00 75 D 8.16 4.57 0.00 2.51 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 76 K 7.18 4.19 0.00 2.04 1.81 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.57 7.81 *78 N 8.73 4.70 0.00 2.45 2.60 0.00 0.00 6.26 7.68 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 79 V 8.57 5.38 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 0.58 0.00 0.00 0.92 0.00 0.00 80 A 8.47 4.72 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 81 A 8.57 4.44 1.15 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 82 L 8.74 4.10 0.00 1.33 1.18 -0.66 0.62 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 83 G 8.26 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 84 N 8.13 4.25 0.00 2.67 2.83 0.00 0.00 7.03 7.68 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 *86 V 7.62 3.67 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 0.78 0.00 0.00 0.85 0.00 0.00 87 P 0.00 4.17 0.00 2.26 2.27 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 88 Q 7.28 4.45 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 89 L 8.45 4.14 0.00 1.73 1.60 0.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.57 5.13 0.00 3.15 3.19 0.00 5.53 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 91 L 8.99 4.78 0.00 1.76 1.63 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.28 5.10 0.00 3.40 3.41 0.00 5.61 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 93 H 9.66 5.03 0.00 3.28 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.54 4.75 1.31 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 -0.19 0.06 0.30 0.00 0.00 95 V 8.53 3.76 1.95 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 0.37 0.00 0.00 0.94 0.00 0.00 96 R 8.67 5.04 0.00 2.01 2.22 0.00 3.07 0.00 0.00 2.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 97 Y 8.57 4.80 0.00 2.83 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 98 Q 8.64 2.52 0.00 1.63 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.56 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 99 G 8.17 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 0.00 100 D 8.03 4.72 0.00 3.12 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 0.00 101 P 0.00 4.36 0.00 2.08 2.13 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 102 A 8.46 4.73 1.51 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 0.00 103 W 8.00 4.45 0.00 3.71 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 0.00 104 P 0.00 3.20 0.00 1.52 1.12 0.00 3.74 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 1.72 1.75 0.00 105 G 7.50 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.13 0.00 2.29 2.12 0.00 3.70 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 2.00 2.02 0.00 107 V 6.71 3.02 0.67 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 -0.98 0.00 0.00 -1.15 0.00 0.00 108 W 7.21 4.18 0.00 3.38 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.16 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 0.00 0.00 0.00 110 K 7.98 4.14 0.00 1.83 2.17 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.58 7.81 111 Q 7.69 4.67 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 112 P 0.00 4.48 0.00 2.09 2.06 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 113 P 0.00 4.94 0.00 2.10 2.12 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 114 V 8.69 4.38 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 0.85 0.00 0.00 0.86 0.00 0.00 115 P 0.00 5.14 0.00 2.17 2.08 0.00 3.41 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 116 Y 9.18 4.16 0.00 3.10 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 0.00 117 T 8.95 4.24 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 1.24 0.00 0.00 118 E 8.66 3.89 0.00 2.06 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 2.38 2.37 0.00 119 E 8.14 4.01 0.00 2.13 1.95 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 2.39 2.48 0.00 120 Q 8.26 4.11 0.00 2.50 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 121 Q 8.57 3.79 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 122 A 8.05 3.96 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 0.00 123 S 8.24 4.05 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.02 3.78 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 0.66 0.00 0.00 1.26 0.00 0.00 125 K 8.12 3.85 0.00 1.80 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 126 A 8.14 4.12 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 0.00 127 K 8.06 3.83 0.00 1.96 2.01 0.00 1.79 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.39 7.81 128 L 7.88 4.33 0.00 2.03 1.72 1.14 1.04 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 0.00 129 Q 7.86 3.99 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 130 P 0.00 4.22 0.00 2.00 2.11 0.00 3.83 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 2.01 2.14 0.00 131 L 7.81 4.09 0.00 1.74 1.81 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.18 4.03 0.00 1.90 1.72 0.94 1.15 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 0.00 133 E 8.50 3.99 0.00 2.18 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 2.34 2.48 0.00 134 Q 7.71 4.13 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 135 L 8.00 4.52 0.00 1.82 1.73 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.72 4.21 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 * Residues marked with a * may have inaccurate shift predictions.