NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3149 8.4449 118.7919 55.4610 31.9563 175.6211 3 K 4.1173 7.6257 120.2876 56.1214 33.6675 174.3277 4 T 5.0234 9.3735 121.6617 62.4154 70.3941 173.7337 5 I 4.7306 8.7592 128.1417 59.7936 40.1879 174.7410 6 T 4.9331 8.7273 123.5753 62.0616 70.7343 173.7491 7 I 5.0294 8.5490 126.5980 59.6382 41.0570 173.8894 8 Y 5.3910 9.3232 124.8817 56.4707 40.2353 174.9126 9 T 5.2999 8.8957 114.4280 60.2549 71.9937 172.9035 10 D 4.8821 9.0957 121.5895 53.2805 45.1396 174.1168 11 G 4.7812 8.5708 109.0560 44.6849 0.0000 171.6745 12 A 5.0251 9.1316 121.6701 50.2876 22.8656 175.1812 13 A 5.0302 8.8369 121.6503 50.7622 22.9541 176.9569 14 S 4.3880 8.8872 116.5892 56.7880 62.8815 173.2307 15 G 3.8043 8.9749 113.5678 45.0338 0.0000 171.0321 16 N 5.0444 8.0439 114.4774 51.4211 38.5521 172.0824 17 P 4.8625 0.0000 0.0000 61.7231 34.3434 175.0414 18 G 4.6651 8.4588 105.6520 46.4420 0.0000 172.5768 19 K 4.7176 8.5920 119.2448 56.6461 33.2461 176.9161 20 G 4.5643 9.1610 110.8746 44.9626 0.0000 171.0942 21 G 4.7795 9.2009 106.5933 44.5608 0.0000 171.6456 22 W 5.8530 8.5676 116.4852 54.9580 32.2475 174.2720 23 G 4.7208 9.3882 106.5497 45.2819 0.0000 171.6322 24 A 5.5271 9.3389 122.6521 50.1286 23.4426 174.8959 25 L 5.1789 9.2166 123.0430 53.3651 45.0134 175.0033 26 L 5.2083 9.2815 126.9675 53.3658 44.1711 175.2395 27 M 5.1664 9.2926 123.3331 53.9889 35.9169 173.6234 28 Y 4.8736 8.9319 126.7055 55.3074 41.6572 175.9017 29 G 3.5332 8.6117 119.4330 46.8972 0.0000 174.4310 30 S 4.3582 8.6644 119.2638 58.6672 63.6016 174.2455 31 S 4.5052 8.0566 117.9513 58.0090 63.7642 173.1971 32 R 5.2380 8.2501 118.3940 54.5529 32.8287 174.1753 33 K 4.6870 9.1936 121.4775 54.9443 35.8209 174.5206 34 E 5.4043 8.9911 126.3085 54.6549 32.0172 175.1911 35 I 4.9582 8.6558 116.2905 59.7695 41.6838 173.8788 36 S 4.0328 8.1584 115.8973 58.0142 65.6169 173.4683 37 G 3.5897 6.1255 106.5042 45.7696 0.0000 171.3154 38 Y 5.3670 8.3009 119.5844 55.7525 42.7355 173.6871 39 D 4.5414 8.2624 123.9733 51.8393 44.1047 174.5416 40 P 4.0301 0.0000 0.0000 64.3413 31.7861 176.2215 41 A 4.4488 8.0092 120.8754 52.0498 21.1276 174.9557 42 T 4.5352 9.0327 116.5267 62.5850 71.8362 171.8613 43 T 4.8783 8.1517 111.6972 59.4305 72.0371 174.9867 44 N 4.3046 8.8833 119.5331 56.7646 38.5543 177.2442 45 N 4.4185 8.0366 117.0848 56.5379 38.5598 177.5047 46 R 3.9024 7.9532 119.3009 59.5712 30.1149 179.1125 47 M 4.2500 8.1927 118.5079 58.1462 32.0135 178.6127 48 E 4.0556 8.4853 119.1210 59.4879 29.6059 179.4693 49 L 3.9570 7.9418 118.9264 57.9049 41.6177 179.1022 50 M 3.6649 8.3397 118.3650 58.4211 32.0091 177.9956 51 A 4.0006 8.1550 120.6646 55.1711 18.5170 179.5163 52 A 3.9461 7.6102 117.7704 55.2618 18.4112 179.7736 53 I 3.5615 7.7589 118.4734 64.6334 37.2807 178.8913 54 K 3.8623 8.0480 119.6471 59.0568 31.4798 179.6019 55 G 3.7018 7.9015 105.1292 48.0428 0.0000 175.4259 56 L 4.0744 8.0740 122.0541 57.3405 41.4035 179.4936 57 E 4.0566 8.3892 117.6675 58.8614 29.4266 178.5757 58 A 4.2277 7.5321 118.8098 52.5274 18.9317 177.5882 59 L 4.1187 7.1407 118.0047 54.4683 42.2067 177.5907 60 K 4.2269 8.5970 122.8068 57.9800 32.6360 176.6376 61 E 4.7774 7.6536 114.2069 53.1477 32.7280 173.1465 62 P 4.3949 0.0000 0.0000 63.5374 31.9585 175.5098 63 A 4.7602 8.6612 123.6086 50.2381 23.5532 174.3347 64 R 4.7471 8.5885 119.7425 55.4178 31.8066 175.4493 65 V 4.8243 8.7805 125.7949 61.1663 35.1268 173.9134 66 Q 4.7694 8.6249 126.5482 54.1824 30.9229 174.1733 67 L 4.8534 8.4075 127.5297 53.3544 44.6239 174.4692 68 Y 5.0123 8.9500 125.1007 56.5002 39.8574 174.8862 69 S 5.2735 9.1274 118.8023 56.5806 66.2340 173.8715 70 D 4.8618 8.9790 122.7676 54.2155 41.4573 176.6093 71 S 4.5397 8.2841 113.8509 58.0367 62.7668 173.9949 72 A 4.0412 8.6782 132.6427 55.1449 17.7182 177.9723 73 Y 4.4426 8.3447 117.7757 61.1323 38.9354 178.2430 74 L 4.0987 8.2478 120.7649 58.3912 42.2606 179.1183 75 V 3.5121 8.1340 118.4388 65.9440 31.3967 177.7296 76 N 3.8191 8.6361 116.4793 56.0191 38.2725 177.2088 77 A 3.4896 7.4261 121.1776 55.1160 18.1153 179.5479 78 M 3.6821 7.2437 115.7407 57.7742 32.2259 177.9715 79 N 4.4846 7.8850 114.7373 53.9802 39.2560 176.1961 80 E 4.1798 7.4359 118.4009 55.2528 30.2667 176.7123 81 G 3.7608 7.3851 107.6070 45.7754 0.0000 175.6804 82 W 3.7519 7.2820 120.8912 59.2330 28.9607 177.8790 83 L 3.1158 6.7995 120.1435 57.9744 41.4995 179.3028 84 K 3.8524 7.5202 117.6691 59.3435 31.9203 179.4590 85 R 3.8614 7.4940 118.0883 58.6465 29.8613 179.0390 86 W 4.1987 7.9213 119.3020 59.6824 29.0907 178.6279 87 V 2.2803 7.1038 118.0076 65.5422 30.6834 177.9989 88 K 3.9173 7.4510 117.4403 58.7295 32.2636 177.2890 89 N 4.8933 8.1372 116.0571 52.4551 39.2997 175.3285 90 G 4.0812 8.0424 106.3677 46.6475 0.0000 174.2962 91 W 3.6856 8.2497 115.8875 57.5226 27.2187 174.4557 92 K 5.5666 7.3387 113.6324 53.6546 35.8316 176.7110 *97 K 4.2960 8.5341 121.4175 55.9824 33.7037 174.0975 98 P 4.8509 0.0000 0.0000 62.0504 31.8320 176.4952 99 V 3.5002 8.2700 124.4372 63.0093 32.0082 175.6034 100 E 4.2173 8.6080 125.5583 56.3603 30.9145 175.6366 101 N 4.4277 8.6905 115.4952 54.1844 36.1739 177.0470 102 I 3.3710 7.8568 121.0946 64.3028 37.1219 177.1013 103 D 4.2085 7.9043 119.4647 56.6801 38.9997 178.7855 104 L 3.9640 7.5812 119.8076 57.0259 41.7003 179.1585 105 W 4.5227 7.9959 118.9813 60.0219 29.0984 178.5845 106 Q 4.2180 8.3249 118.2342 58.8985 28.0998 178.6572 107 E 3.9973 7.9326 119.4648 59.5664 29.5641 179.4735 108 I 3.8421 7.9794 119.8294 64.1632 36.7027 178.4209 109 L 4.1240 8.4568 120.1831 57.9002 41.5767 179.7403 110 K 4.0788 8.0024 117.7565 59.6259 32.0494 179.5150 111 L 4.1626 8.2285 119.3531 57.3335 41.3596 178.5897 112 T 4.5725 7.7488 108.6111 62.0591 69.2012 176.2612 113 T 4.2012 7.2909 117.8663 66.4355 68.9779 176.5420 114 L 4.0470 7.7258 119.7514 56.4722 41.9154 177.0938 115 H 5.0847 7.7764 114.5257 53.9569 32.8061 173.9724 116 R 4.5575 8.7624 121.0945 55.1196 30.7857 175.0628 117 V 4.5852 8.2298 123.9044 61.1432 33.6792 174.6863 118 T 4.5307 8.5622 124.6842 61.8113 70.8462 173.0828 119 F 4.8498 8.7483 125.1578 56.1914 41.0106 175.0377 120 H 4.8428 8.9012 119.8635 53.7075 32.3016 172.5449 121 K 4.7560 8.8186 124.5961 56.1843 32.5495 176.2697 122 V 4.5070 8.9297 120.5057 59.9264 34.9194 175.6345 123 K 4.4688 9.0205 123.5502 55.4671 31.6413 178.0152 124 G 3.9642 8.8792 116.9793 45.0741 0.0000 174.6832 *126 S 4.3267 8.6221 117.9716 57.8927 63.8443 174.9503 127 D 4.6458 7.8461 119.0910 56.9577 41.3395 175.3947 128 N 4.7019 7.3717 112.5499 49.9208 40.3252 173.5691 129 P 4.1091 0.0000 0.0000 65.3985 31.2150 178.3351 130 Y 3.8554 7.1114 116.5934 60.9397 37.8555 177.2505 131 N 4.4888 8.6684 117.7334 56.4651 38.5471 177.6339 132 S 4.0996 8.0364 116.6528 61.5337 62.8106 176.7361 133 R 3.8225 8.0490 121.1654 59.2336 29.8479 178.2731 134 A 4.0544 8.2141 120.7138 55.3083 18.3770 179.0339 135 D 4.4468 8.4114 116.6544 57.5574 41.2724 178.0656 136 E 3.9252 8.3818 119.8515 59.3975 29.6227 178.8374 137 L 4.0009 8.3688 119.1513 57.5686 41.4841 179.3986 138 A 4.0534 8.0986 120.8483 55.3074 18.3852 179.9844 139 R 3.9084 8.1963 116.6889 58.9877 29.9976 178.8300 140 L 3.8897 8.3408 120.5715 58.2547 41.8060 178.9915 141 A 4.1252 7.5691 120.5102 54.6631 18.5667 179.3639 142 I 3.9768 7.5842 118.2708 64.4473 36.9749 178.6539 143 K 3.9198 7.8952 119.3160 59.5181 31.9894 178.5071 144 E 4.0163 8.4556 118.8581 58.3679 29.0455 176.9770 145 N 4.3013 7.5162 120.4774 53.0835 38.9875 174.0629 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 E 8.44 4.31 0.00 2.09 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 2.16 2.35 0.00 3 K 7.63 4.12 0.00 1.56 1.29 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.31 7.81 4 T 9.37 5.02 4.31 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 1.23 0.00 0.00 5 I 8.76 4.73 1.80 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 1.12 1.24 0.96 0.00 0.00 6 T 8.73 4.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 7 I 8.55 5.03 1.77 0.00 0.00 0.79 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 0.62 0.98 0.00 0.00 8 Y 9.32 5.39 0.00 2.95 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 9 T 8.90 5.30 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 10 D 9.10 4.88 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 4.78 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 12 A 9.13 5.03 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 13 A 8.84 5.03 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 14 S 8.89 4.39 0.00 3.92 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 15 G 8.97 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 16 N 8.04 5.04 0.00 2.67 2.66 0.00 0.00 6.83 7.69 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 17 P 0.00 4.86 0.00 2.08 2.01 0.00 3.84 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 1.92 1.94 0.00 18 G 8.46 4.67 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 19 K 8.59 4.72 0.00 1.81 1.94 0.00 1.70 0.00 0.00 2.02 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.53 7.81 20 G 9.16 4.56 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 0.00 0.00 0.00 21 G 9.20 4.78 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 22 W 8.57 5.85 0.00 3.47 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 23 G 9.39 4.72 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 0.00 0.00 0.00 24 A 9.34 5.53 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 25 L 9.22 5.18 0.00 1.87 1.73 1.08 0.78 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 26 L 9.28 5.21 0.00 1.67 1.59 0.99 0.61 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 27 M 9.29 5.17 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 28 Y 8.93 4.87 0.00 3.00 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 29 G 8.61 3.53 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 0.00 30 S 8.66 4.36 0.00 3.98 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 31 S 8.06 4.51 0.00 4.12 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 32 R 8.25 5.24 0.00 1.83 1.92 0.00 3.02 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 33 K 9.19 4.69 0.00 1.83 1.67 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 34 E 8.99 5.40 0.00 1.89 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 2.27 2.31 0.00 35 I 8.66 4.96 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 1.02 0.00 0.00 36 S 8.16 4.03 0.00 3.54 3.63 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 37 G 6.13 3.59 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 38 Y 8.30 5.37 0.00 2.92 2.74 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 39 D 8.26 4.54 0.00 2.65 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 40 P 0.00 4.03 0.00 2.22 2.26 0.00 3.28 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 1.93 1.93 0.00 41 A 8.01 4.45 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 42 T 9.03 4.54 4.37 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 1.21 0.00 0.00 43 T 8.15 4.88 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 1.23 0.00 0.00 44 N 8.88 4.30 0.00 2.74 3.09 0.00 0.00 6.82 6.92 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 45 N 8.04 4.42 0.00 2.43 2.28 0.00 0.00 7.09 7.66 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 46 R 7.95 3.90 0.00 1.96 1.93 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 47 M 8.19 4.25 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.87 0.00 48 E 8.49 4.06 0.00 2.31 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 2.43 2.57 0.00 49 L 7.94 3.96 0.00 1.65 1.36 -0.10 0.25 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 50 M 8.34 3.66 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.08 0.00 51 A 8.15 4.00 1.64 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 0.00 0.00 52 A 7.61 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.76 3.56 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.77 0.00 0.00 54 K 8.05 3.86 0.00 1.02 1.39 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.68 0.21 7.81 55 G 7.90 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 0.00 0.00 0.00 56 L 8.07 4.07 0.00 1.81 1.74 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.39 4.06 0.00 2.05 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 2.33 2.46 0.00 58 A 7.53 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.14 4.12 0.00 1.68 1.55 0.51 0.74 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 60 K 8.60 4.23 0.00 1.72 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 61 E 7.65 4.78 0.00 1.99 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 2.12 2.20 0.00 62 P 0.00 4.39 0.00 1.93 2.15 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 63 A 8.66 4.76 1.17 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 64 R 8.59 4.75 0.00 1.91 1.90 0.00 3.03 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 65 V 8.78 4.82 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 0.85 0.00 0.00 0.81 0.00 0.00 66 Q 8.62 4.77 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 67 L 8.41 4.85 0.00 1.20 0.82 0.79 0.71 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 68 Y 8.95 5.01 0.00 2.80 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 69 S 9.13 5.27 0.00 3.98 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 70 D 8.98 4.86 0.00 2.76 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 71 S 8.28 4.54 0.00 4.08 3.89 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 0.00 0.00 0.00 72 A 8.68 4.04 1.44 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 0.00 0.00 0.00 73 Y 8.34 4.44 0.00 3.17 3.17 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 74 L 8.25 4.10 0.00 1.89 1.90 0.87 0.86 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 75 V 8.13 3.51 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 1.07 0.00 0.00 1.10 0.00 0.00 76 N 8.64 3.82 0.00 2.66 1.76 0.00 0.00 6.89 7.25 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 77 A 7.43 3.49 0.95 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 0.00 0.00 78 M 7.24 3.68 0.00 1.37 1.46 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 79 N 7.88 4.48 0.00 2.54 2.69 0.00 0.00 6.99 7.63 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 80 E 7.44 4.18 0.00 1.16 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 1.61 1.55 0.00 81 G 7.39 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 82 W 7.28 3.75 0.00 2.40 1.76 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 83 L 6.80 3.12 0.00 1.14 1.29 1.19 0.71 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 84 K 7.52 3.85 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 85 R 7.49 3.86 0.00 1.78 1.86 0.00 3.07 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 86 W 7.92 4.20 0.00 3.10 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 87 V 7.10 2.28 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 0.83 0.00 0.00 0.41 0.00 0.00 88 K 7.45 3.92 0.00 1.77 1.93 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 89 N 8.14 4.89 0.00 2.84 2.77 0.00 0.00 6.84 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 90 G 8.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.25 3.69 0.00 3.59 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.34 5.57 0.00 1.96 1.65 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.54 7.81 *97 K 8.53 4.30 0.00 1.84 1.82 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 98 P 0.00 4.85 0.00 1.95 1.96 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 99 V 8.27 3.50 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 -0.23 0.00 0.00 -0.21 0.00 0.00 100 E 8.61 4.22 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 101 N 8.69 4.43 0.00 3.07 2.80 0.00 0.00 7.61 7.34 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 0.00 102 I 7.86 3.37 1.55 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 -0.22 0.00 0.00 103 D 7.90 4.21 0.00 2.77 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 0.00 104 L 7.58 3.96 0.00 1.45 1.43 0.76 0.82 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 0.00 105 W 8.00 4.52 0.00 3.34 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 0.00 106 Q 8.32 4.22 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.10 0.00 107 E 7.93 4.00 0.00 2.11 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 2.41 2.43 0.00 108 I 7.98 3.84 2.24 0.00 0.00 0.52 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 0.98 1.09 0.00 0.00 109 L 8.46 4.12 0.00 2.07 1.86 1.34 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.00 4.08 0.00 2.03 1.89 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.69 7.81 111 L 8.23 4.16 0.00 1.77 1.79 0.96 0.51 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 0.00 112 T 7.75 4.57 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 113 T 7.29 4.20 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 1.21 0.00 0.00 114 L 7.73 4.05 0.00 1.58 1.45 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.78 5.08 0.00 3.14 3.20 0.00 5.60 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 0.00 116 R 8.76 4.56 0.00 1.76 1.88 0.00 3.08 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 117 V 8.23 4.59 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 -0.22 0.00 0.00 0.94 0.00 0.00 118 T 8.56 4.53 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 1.00 0.00 0.00 119 F 8.75 4.85 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.90 4.84 0.00 2.20 2.93 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.82 4.76 0.00 1.79 1.75 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 122 V 8.93 4.51 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 1.19 0.00 0.00 1.06 0.00 0.00 123 K 9.02 4.47 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 G 8.88 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 0.00 0.00 0.00 *126 S 8.62 4.33 0.00 3.90 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 0.00 127 D 7.85 4.65 0.00 3.00 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 0.00 128 N 7.37 4.70 0.00 2.87 2.84 0.00 0.00 6.68 7.64 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 0.00 129 P 0.00 4.11 0.00 1.56 2.01 0.00 3.36 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 130 Y 7.11 3.86 0.00 1.48 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 0.00 0.00 0.00 131 N 8.67 4.49 0.00 2.79 2.98 0.00 0.00 7.09 7.14 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 0.00 132 S 8.04 4.10 0.00 3.95 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 0.00 133 R 8.05 3.82 0.00 1.95 2.06 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 134 A 8.21 4.05 1.55 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 0.00 135 D 8.41 4.45 0.00 3.06 2.89 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 0.00 0.00 0.00 136 E 8.38 3.93 0.00 2.18 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 2.29 2.34 0.00 137 L 8.37 4.00 0.00 1.92 1.65 0.95 0.79 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 0.00 138 A 8.10 4.05 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 0.00 139 R 8.20 3.91 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 140 L 8.34 3.89 0.00 1.98 1.82 0.89 0.88 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 0.00 141 A 7.57 4.13 1.24 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 0.00 0.00 0.00 142 I 7.58 3.98 2.04 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 1.60 0.81 0.99 0.00 0.00 143 K 7.90 3.92 0.00 1.74 1.93 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 144 E 8.46 4.02 0.00 2.06 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 2.26 2.39 0.00 145 N 7.52 4.30 0.00 1.44 1.58 0.00 0.00 6.83 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 * Residues marked with a * may have inaccurate shift predictions.