NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2680 8.1593 117.3739 63.5697 69.7972 173.4441 2 S 4.4576 8.3172 120.7778 55.7228 65.3191 173.1414 3 K 4.0005 8.7892 121.0523 59.4893 32.7099 179.3163 4 K 3.8113 8.1051 119.3551 59.6854 31.8713 178.2270 5 K 4.1149 7.5988 116.6037 58.3194 32.1541 177.6292 6 R 4.4459 7.5841 116.1195 56.8050 30.9714 177.5689 7 Q 4.1746 7.9919 119.1667 57.0535 28.4331 175.8476 8 R 4.0516 7.5621 118.9589 58.9049 30.0173 176.4604 9 G 4.1150 9.0154 111.3391 45.3820 0.0000 174.1450 10 S 4.1480 8.0722 114.0490 58.9611 63.3053 174.3562 11 R 4.2204 7.9748 124.7439 56.5709 29.3272 176.4467 12 T 4.2736 7.6207 105.0315 61.4126 69.7933 174.1891 13 H 4.4426 8.4557 117.9599 55.9849 26.8515 175.7518 14 G 3.9437 8.4536 104.6524 45.7892 0.0000 175.0047 15 G 3.7335 8.4204 108.2905 45.9728 0.0000 176.0576 16 G 3.8770 7.9751 106.4156 44.5048 0.0000 173.1362 17 S 4.1172 8.6821 115.6377 58.9792 62.6629 175.3091 18 H 4.4624 8.9475 120.9506 57.0584 28.1169 175.7603 19 K 4.1735 7.6881 118.9543 56.9110 32.4419 177.6188 20 N 4.3225 8.0720 117.3524 56.2842 38.7063 177.4714 21 R 4.2933 7.4928 120.9013 55.8001 29.0499 177.6564 22 R 4.6315 7.5031 125.4895 56.0955 31.4605 178.4724 23 G 4.0173 8.4438 116.3784 45.2034 0.0000 172.8007 24 A 4.2590 8.7674 121.2908 54.6818 18.4861 180.0522 25 G 3.5715 8.0966 104.2394 47.9987 0.0000 174.7507 26 H 4.6001 8.2243 118.4350 57.5706 29.9696 176.2074 27 R 4.5938 7.4842 116.8979 55.4816 31.1199 175.5442 28 G 3.8487 8.2565 106.2463 46.7646 0.0000 174.2228 29 G 4.1340 8.1197 106.1796 44.1610 0.0000 174.8086 30 R 4.1769 8.5871 119.1493 56.5706 31.9019 177.3914 31 G 3.8305 8.1524 109.4954 47.5729 0.0000 173.8522 32 D 4.7646 8.5095 120.5530 53.9590 41.1348 175.7930 33 A 3.9863 7.3989 122.7941 53.8027 18.9128 179.1345 34 G 3.7414 8.9657 110.0517 45.3963 0.0000 175.0616 35 R 4.0005 7.6471 116.3946 57.5853 29.1697 177.1748 36 D 5.0752 7.8376 115.3096 52.6518 42.0487 175.3690 37 K 4.4239 8.8445 118.5747 56.8907 32.3789 178.2583 38 H 4.4623 9.8935 123.1708 58.6004 29.1741 176.1579 39 E 4.7326 7.0293 116.4782 55.4586 30.1087 177.2891 40 F 4.6330 8.1536 115.3151 59.2302 38.6321 175.3119 41 H 3.6150 6.5119 116.9160 57.4524 28.6596 174.2765 42 N 4.2050 8.7785 118.7629 54.1777 36.1771 173.1644 43 H 4.7222 7.7133 117.1874 54.1498 31.2915 174.8162 44 E 4.1280 8.5716 125.6591 55.5286 29.9160 175.3165 45 P 4.5106 0.0000 0.0000 62.4180 32.0864 176.0900 46 L 4.1554 8.0296 119.1179 54.8023 42.2409 175.9650 47 G 4.2983 8.0454 106.1118 43.3921 0.0000 173.2537 48 K 4.5092 7.9227 120.6511 55.2631 33.8328 176.6088 49 S 4.3982 8.5659 114.0218 58.3398 65.4955 175.9852 50 G 3.9855 9.0202 117.5880 45.7181 0.0000 171.1505 51 F 4.9221 8.0506 113.5239 55.8908 40.7826 173.1385 52 K 4.3132 8.4105 118.8384 54.5364 35.2386 176.8262 53 R 4.5191 8.2601 122.0294 54.4933 31.4083 174.6693 54 P 4.4144 0.0000 0.0000 62.7837 31.8186 177.4823 55 Q 3.9822 8.8139 120.4808 58.6606 28.7244 177.7129 56 K 4.3904 7.9716 114.4507 56.6851 32.8849 176.7741 57 V 4.3416 7.9169 117.2667 62.8011 31.9630 174.6617 58 Q 4.6261 7.8925 116.7804 54.2432 30.3564 174.5455 59 E 4.4793 8.6037 121.5568 54.6113 31.3737 175.0864 60 E 4.4651 8.3919 124.0280 54.2421 31.4475 174.5257 61 A 3.8651 8.2218 128.3925 51.1424 20.0295 176.2420 62 A 4.5021 8.4692 123.1990 50.8443 20.3489 176.8999 63 T 5.3324 8.1523 112.2446 60.4369 71.3895 173.8626 64 I 4.4177 7.8333 119.7037 60.2546 41.5106 172.5340 65 D 5.0790 8.5343 127.8629 53.0118 42.6606 177.7059 66 V 3.5741 8.6839 116.5654 64.9341 31.6370 178.7608 67 R 3.8303 7.8662 117.6101 59.6527 29.5456 178.1493 68 E 3.8967 8.1527 117.9001 59.2604 30.0378 178.4872 69 I 3.8106 7.6586 119.2879 64.6256 37.0887 177.8265 70 D 4.3745 8.5388 117.6209 57.2408 41.1306 177.4768 71 E 4.2960 7.9235 116.4264 57.4290 29.7948 176.8879 72 N 4.9657 7.7017 116.0792 52.8563 39.3566 176.7191 73 V 3.2249 7.6013 111.8708 64.7679 31.8926 177.5557 74 T 4.0145 7.6098 109.9730 64.8854 68.6603 175.6012 75 L 4.0608 7.7781 120.5312 57.0405 41.9798 177.4277 76 L 4.3912 7.7108 120.5457 53.9664 41.0791 178.2002 77 A 4.1295 7.7626 123.1574 55.1436 19.0532 179.4164 78 A 4.5869 7.2342 114.9536 52.0424 18.0228 177.0170 79 D 4.6268 8.8478 119.4647 56.2825 45.0919 175.7394 80 D 4.1678 7.7940 121.8296 49.2117 42.0955 175.5454 81 V 4.0176 8.3398 120.4351 61.6540 33.5644 173.4853 82 A 4.9817 7.9247 134.8385 50.5288 21.1498 175.5439 83 E 3.7059 8.7695 111.8924 59.1414 29.9671 177.1779 *89 F 4.4835 7.7771 117.5950 57.3580 41.0534 173.8306 90 R 5.1946 8.3043 120.6765 54.7923 31.4121 175.5813 91 V 4.4630 8.6693 126.3739 59.9097 34.8154 174.7317 92 D 4.6224 8.7412 124.2795 52.6735 40.5494 176.2417 93 V 3.6117 8.3418 128.0197 66.0939 31.6455 178.4926 94 R 3.6905 7.7620 117.7816 59.0863 29.9306 177.0055 95 D 4.7280 8.2595 115.5008 54.2131 41.1639 176.8043 96 V 4.1283 8.2101 120.2148 63.9094 33.1203 176.6333 97 V 3.7238 7.5493 118.7006 62.6290 31.6715 175.2947 98 E 4.2431 8.5706 125.9559 56.5551 30.6567 176.5843 99 E 3.9006 8.7445 117.0732 57.4117 27.1983 175.2498 100 A 4.2243 7.5613 119.6981 52.9205 18.6534 178.2815 101 D 4.7985 8.2170 118.3947 57.7617 42.9150 178.7595 102 D 4.7715 8.0113 115.3285 53.5238 39.4776 175.5318 103 A 4.8245 7.6460 121.2962 51.2202 21.6982 177.0758 104 D 4.7148 8.1630 119.7390 56.1704 41.6037 175.9085 105 Y 4.7064 6.9643 115.2526 56.7069 40.3239 172.2960 106 V 4.7470 9.4280 121.1599 61.1020 34.0756 174.2556 107 K 4.8932 8.9919 128.6016 54.6012 35.4741 174.5789 108 V 4.5615 8.2901 127.5745 61.6389 33.0788 174.5748 109 L 4.6315 9.7244 128.9679 52.5864 44.1128 177.0324 110 G 4.1867 7.8177 109.2228 45.4606 0.0000 173.7957 111 A 4.5709 7.8830 121.5501 51.6527 21.4070 178.4586 112 G 4.0044 8.9357 108.8775 44.1833 0.0000 172.1417 113 Q 4.6458 8.2489 117.4880 54.1619 31.5916 175.8642 114 V 4.3408 7.7200 117.8472 61.4891 31.8603 174.9227 115 R 4.3374 8.3529 122.7875 56.2136 29.7617 175.7611 116 H 5.2170 7.6393 114.6668 54.3834 33.6288 172.3648 117 E 4.9008 8.7672 117.6369 54.6182 30.5654 175.5569 118 L 5.1457 8.5866 123.6508 53.1606 46.3113 175.8237 119 T 4.8882 9.2426 119.4483 61.9546 70.2075 172.4481 120 L 5.1765 8.5749 126.2907 53.4221 44.3071 175.7406 121 I 5.4815 8.8197 123.3438 58.8569 40.0058 174.5730 122 A 4.8783 8.6011 127.1063 50.6176 22.6345 176.3294 123 D 4.4475 8.7871 118.2454 56.9732 42.0314 175.9534 124 D 4.7188 7.1186 114.6724 53.5994 45.1897 174.5724 125 F 5.4725 8.9212 121.3025 55.8668 43.4578 174.0440 126 S 4.7483 8.4784 115.1344 57.0604 65.2262 174.7069 127 E 4.0010 9.2264 122.7995 60.0037 29.1512 179.9440 128 G 3.6740 8.1750 104.2798 47.4284 0.0000 175.3281 129 A 4.1178 8.3190 123.6589 55.2335 18.3124 179.7112 130 R 3.7957 8.1230 116.3160 59.2020 30.3640 178.8183 131 E 3.8824 8.1514 118.0577 59.5167 29.5601 180.1704 132 K 3.9508 7.8583 118.1497 59.4242 31.8801 179.5126 133 V 3.5807 7.5908 118.0530 66.2829 31.4802 177.9162 134 E 4.9045 8.0491 120.0613 58.9100 29.0369 179.3306 135 G 3.8013 7.9618 104.7062 47.1836 0.0000 173.6166 136 A 4.4859 8.0943 123.1589 52.4124 19.9986 176.8745 137 G 4.0993 8.0709 104.9772 48.1890 0.0000 172.4523 138 G 4.4603 7.8647 105.3119 44.5275 0.0000 171.1817 139 S 5.1317 9.0496 113.5473 56.2514 66.8621 173.1759 140 V 4.5221 8.1379 119.7668 61.0398 34.0323 174.2658 141 E 4.5936 9.3216 127.8367 54.3702 31.9705 175.0549 142 L 4.8524 8.5992 127.9914 54.6202 42.7051 176.4802 143 T 4.0278 8.5447 123.8329 63.9107 69.4613 175.2432 144 D 4.7501 8.7148 120.4424 57.2832 41.1662 178.9865 145 L 3.8951 8.0990 119.7350 58.0506 42.0999 178.1380 146 G 4.0734 7.3584 104.9053 46.8132 0.0000 172.8465 147 E 4.4385 8.2101 120.9016 57.3064 29.5219 177.0092 148 E 4.8699 7.9658 113.7689 56.3465 30.6336 177.2803 149 R 4.4022 7.9414 119.2563 54.7330 30.6985 175.9103 150 Q 4.3126 8.2771 122.4374 56.8339 29.3563 173.2893 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.32 4.46 0.00 4.05 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 3 K 8.79 4.00 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 K 8.11 3.81 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 K 7.60 4.11 0.00 1.78 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.58 4.45 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 7 Q 7.99 4.17 0.00 1.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.97 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 8 R 7.56 4.05 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.02 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 0.00 0.00 0.00 0.00 10 S 8.07 4.15 0.00 3.97 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 11 R 7.97 4.22 0.00 1.99 2.12 0.00 3.20 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.62 4.27 4.32 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 1.33 0.00 0.00 13 H 8.46 4.44 0.00 3.29 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.45 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 15 G 8.42 3.73 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 0.00 0.00 0.00 16 G 7.98 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 17 S 8.68 4.12 0.00 3.88 3.77 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 18 H 8.95 4.46 0.00 3.31 3.37 0.00 5.57 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 19 K 7.69 4.17 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.33 7.81 20 N 8.07 4.32 0.00 2.70 2.66 0.00 0.00 6.97 7.39 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 21 R 7.49 4.29 0.00 1.77 1.89 0.00 3.15 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 22 R 7.50 4.63 0.00 1.73 1.22 0.00 3.21 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 23 G 8.44 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 24 A 8.77 4.26 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 25 G 8.10 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 0.00 0.00 0.00 26 H 8.22 4.60 0.00 3.18 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.48 4.59 0.00 1.87 1.88 0.00 3.35 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 28 G 8.26 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 29 G 8.12 4.13 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 0.00 0.00 0.00 30 R 8.59 4.18 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 G 8.15 3.83 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 0.00 0.00 0.00 32 D 8.51 4.76 0.00 2.73 2.69 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 33 A 7.40 3.99 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 34 G 8.97 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 0.00 0.00 0.00 35 R 7.65 4.00 0.00 1.47 1.89 0.00 2.73 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 36 D 7.84 5.08 0.00 2.73 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 37 K 8.84 4.42 0.00 1.78 1.40 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.89 4.46 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.03 4.73 0.00 1.90 1.92 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 2.23 2.02 0.00 40 F 8.15 4.63 0.00 3.21 3.25 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 41 H 6.51 3.62 0.00 2.90 3.04 0.00 5.84 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 42 N 8.78 4.21 0.00 2.83 2.88 0.00 0.00 6.93 8.16 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 43 H 7.71 4.72 0.00 3.35 3.22 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.57 4.13 0.00 2.02 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 2.32 2.30 0.00 45 P 0.00 4.51 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 46 L 8.03 4.16 0.00 1.66 1.64 0.91 0.91 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 47 G 8.05 4.30 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 0.00 48 K 7.92 4.51 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 49 S 8.57 4.40 0.00 3.80 3.70 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 50 G 9.02 3.99 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 0.00 0.00 0.00 51 F 8.05 4.92 0.00 3.13 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 52 K 8.41 4.31 0.00 1.72 1.66 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.37 7.81 53 R 8.26 4.52 0.00 1.82 1.93 0.00 3.35 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 54 P 0.00 4.41 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 55 Q 8.81 3.98 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.20 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 K 7.97 4.39 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 7.92 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.89 4.63 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 59 E 8.60 4.48 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 2.31 2.32 0.00 60 E 8.39 4.47 0.00 1.94 1.72 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 2.15 2.19 0.00 61 A 8.22 3.87 0.61 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 0.00 0.00 62 A 8.47 4.50 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 63 T 8.15 5.33 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 1.18 0.00 0.00 64 I 7.83 4.42 1.85 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 1.34 1.23 0.94 0.00 0.00 65 D 8.53 5.08 0.00 2.63 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 66 V 8.68 3.57 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 0.93 0.00 0.00 1.01 0.00 0.00 67 R 7.87 3.83 0.00 1.98 2.02 0.00 3.09 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 1.63 1.66 0.00 68 E 8.15 3.90 0.00 1.98 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 2.31 2.33 0.00 69 I 7.66 3.81 2.02 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 1.52 0.80 0.91 0.00 0.00 70 D 8.54 4.37 0.00 2.66 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 71 E 7.92 4.30 0.00 1.97 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 2.33 2.68 0.00 72 N 7.70 4.97 0.00 2.66 2.70 0.00 0.00 6.87 8.12 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 73 V 7.60 3.22 0.78 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 0.40 0.00 0.00 0.65 0.00 0.00 74 T 7.61 4.01 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 75 L 7.78 4.06 0.00 1.71 1.76 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.71 4.39 0.00 1.84 1.61 0.89 0.71 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 77 A 7.76 4.13 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 78 A 7.23 4.59 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 79 D 8.85 4.63 0.00 2.70 2.58 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 0.00 0.00 0.00 0.00 80 D 7.79 4.17 0.00 3.12 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 81 V 8.34 4.02 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 0.48 0.00 0.00 1.04 0.00 0.00 82 A 7.92 4.98 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 83 E 8.77 3.71 0.00 2.05 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 2.27 2.36 0.00 *89 F 7.78 4.48 0.00 3.00 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 90 R 8.30 5.19 0.00 1.88 1.87 0.00 3.22 0.00 0.00 3.49 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 91 V 8.67 4.46 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 0.70 0.00 0.00 0.95 0.00 0.00 92 D 8.74 4.62 0.00 2.73 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 93 V 8.34 3.61 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 0.87 0.00 0.00 0.99 0.00 0.00 94 R 7.76 3.69 0.00 1.93 2.00 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 D 8.26 4.73 0.00 2.72 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 96 V 8.21 4.13 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.55 3.72 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 0.82 0.00 0.00 0.99 0.00 0.00 98 E 8.57 4.24 0.00 2.05 1.83 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 2.37 2.31 0.00 99 E 8.74 3.90 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 2.27 2.26 0.00 100 A 7.56 4.22 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 0.00 101 D 8.22 4.80 0.00 2.68 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 0.00 102 D 8.01 4.77 0.00 2.76 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 0.00 103 A 7.65 4.82 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 0.00 104 D 8.16 4.71 0.00 2.46 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 0.00 105 Y 6.96 4.71 0.00 3.08 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 0.00 106 V 9.43 4.75 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 8.99 4.89 0.00 2.04 1.64 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.54 7.81 108 V 8.29 4.56 1.85 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 1.02 0.00 0.00 0.77 0.00 0.00 109 L 9.72 4.63 0.00 1.73 1.57 0.92 0.68 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 0.00 110 G 7.82 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 0.00 111 A 7.88 4.57 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 0.00 112 G 8.94 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 0.00 113 Q 8.25 4.65 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 114 V 7.72 4.34 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 1.17 0.00 0.00 0.94 0.00 0.00 115 R 8.35 4.34 0.00 1.60 1.82 0.00 3.12 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 116 H 7.64 5.22 0.00 3.06 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.77 4.90 0.00 2.12 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 2.28 2.23 0.00 118 L 8.59 5.15 0.00 1.63 1.63 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.24 4.89 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 0.00 120 L 8.57 5.18 0.00 1.88 1.84 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.82 5.48 1.94 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 1.19 2.50 1.03 0.00 0.00 122 A 8.60 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.79 4.45 0.00 2.81 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 0.00 124 D 7.12 4.72 0.00 2.57 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 0.00 0.00 0.00 0.00 125 F 8.92 5.47 0.00 2.85 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 0.00 126 S 8.48 4.75 0.00 3.89 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 0.00 127 E 9.23 4.00 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 2.53 2.43 0.00 128 G 8.17 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 0.00 0.00 0.00 129 A 8.32 4.12 1.53 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 0.00 0.00 130 R 8.12 3.80 0.00 2.01 1.89 0.00 3.14 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 131 E 8.15 3.88 0.00 2.05 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 2.54 0.00 132 K 7.86 3.95 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 133 V 7.59 3.58 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 1.07 0.00 0.00 1.06 0.00 0.00 134 E 8.05 4.90 0.00 1.99 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 0.00 2.40 2.12 0.00 135 G 7.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.09 4.49 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.07 4.10 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 0.00 138 G 7.86 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 0.00 0.00 0.00 0.00 139 S 9.05 5.13 0.00 3.80 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 0.00 140 V 8.14 4.52 1.70 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 -0.21 0.00 0.00 0.16 0.00 0.00 141 E 9.32 4.59 0.00 1.94 1.88 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 2.21 2.21 0.00 142 L 8.60 4.85 0.00 1.71 1.65 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.54 4.03 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 1.25 0.00 0.00 144 D 8.71 4.75 0.00 2.71 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 0.00 145 L 8.10 3.90 0.00 1.61 1.86 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.36 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 0.00 147 E 8.21 4.44 0.00 2.15 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 2.51 0.00 148 E 7.97 4.87 0.00 1.81 1.85 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 2.16 2.54 0.00 149 R 7.94 4.40 0.00 1.74 1.85 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 150 Q 8.28 4.31 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.