NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2330 8.2649 123.5795 52.0561 18.6775 175.2860 3 T 4.2723 8.4337 117.1374 60.9567 68.6538 173.2834 4 L 3.7967 8.3680 126.9905 56.7604 41.6624 177.0805 5 T 4.5644 8.1830 112.6525 59.8792 72.1850 175.3560 6 E 3.9346 8.5548 122.6792 59.6507 29.4355 178.9772 7 D 4.4213 8.1365 118.7473 56.4857 41.0803 177.2477 8 D 4.4862 7.6003 117.8771 54.1068 40.1534 178.7215 9 V 3.5680 7.6362 120.4844 65.8423 31.4783 177.5266 10 L 3.9937 7.9447 120.1768 57.7364 41.7983 178.7173 11 E 3.8833 7.5337 119.3921 59.3951 29.4964 178.6426 12 Q 3.9690 7.6393 116.4061 58.8919 29.0357 178.8104 13 L 3.9030 7.8561 119.5457 57.9199 41.4838 178.8430 14 D 4.4087 8.0671 116.7675 57.7118 41.2658 178.6367 15 A 4.3720 7.6693 118.9564 53.7384 18.4326 177.2483 16 Q 4.0430 7.6451 116.2591 56.6492 28.4801 176.1750 17 D 4.8422 8.7819 122.7218 53.8127 40.5895 175.8847 18 N 5.0044 7.8129 116.7496 50.8470 40.6034 174.7398 19 L 3.0908 7.7745 121.6244 58.2277 42.0345 178.0184 20 F 4.3618 8.3058 118.3931 61.6911 39.4393 176.1114 21 S 4.0933 8.7895 115.5199 61.7146 63.2596 175.7370 22 F 4.3218 8.5702 123.5257 58.8547 36.9021 175.1654 *25 T 4.0001 7.7058 119.8278 63.0509 71.0699 176.6650 26 A 3.7483 7.9013 123.7028 55.0036 18.3696 179.0804 27 H 3.8817 7.6129 116.3583 59.1483 29.8918 177.3458 28 S 3.8827 7.4127 114.3612 61.3174 62.3215 175.8923 29 I 3.5373 7.3813 122.3645 64.4165 36.8941 178.2308 30 L 3.8228 7.7263 119.6538 57.7044 41.3828 179.4265 31 L 3.7956 7.7248 119.9218 58.0963 42.0486 178.6534 32 Q 3.9899 7.8985 119.3794 59.2620 28.7985 178.3024 33 G 3.7407 8.0663 105.5578 48.1174 0.0000 175.2094 34 I 3.8781 8.2727 122.6849 63.9213 36.9925 178.2771 35 R 4.2136 7.9015 114.2110 57.8183 29.8914 177.8202 36 Q 4.2037 8.3192 118.8681 57.4420 28.8201 177.3299 37 F 4.2700 8.3767 122.4307 60.5807 39.7304 177.3664 38 L 3.7831 7.9549 118.3513 57.6325 41.4060 177.7865 39 P 4.3882 0.0000 0.0000 65.1943 31.0265 178.0627 40 S 4.1602 7.7189 111.6099 59.7241 62.9665 175.5803 41 L 3.8742 7.2639 122.6580 55.3120 41.5630 176.1303 42 F 5.1546 6.7482 116.0219 54.6734 42.6130 174.7985 43 V 3.7236 8.5095 121.5359 63.9415 31.4275 175.3793 44 D 4.8473 8.5559 122.3991 52.6492 40.8615 175.3182 45 N 4.6037 8.1036 116.3402 53.6311 38.9016 174.8462 46 D 4.5427 7.8732 118.9142 53.3497 41.9122 176.0742 47 E 3.9218 8.7213 128.7094 59.0875 29.7857 178.1297 48 E 4.0220 8.2168 119.1488 59.4201 29.7824 178.6789 49 I 3.9145 8.1379 119.8255 64.1334 36.8178 178.6937 50 V 3.5150 7.1906 118.6490 65.8343 31.5849 177.2665 51 E 3.8054 7.8568 117.6752 59.3933 29.4816 177.7903 52 Y 4.4850 8.0115 114.6185 59.3989 38.8994 177.1049 53 A 4.4273 7.5506 120.4617 53.8930 20.0816 180.5765 54 V 3.6107 7.6055 115.5247 62.8353 30.7110 176.0579 *56 P 4.3678 0.0000 0.0000 61.8139 32.4118 178.7069 57 L 3.8285 7.7652 119.5816 57.2752 42.0181 178.0875 58 L 4.5264 7.5509 115.5971 54.5673 42.9418 176.6812 59 A 4.2088 7.3002 122.3322 51.6147 18.9369 176.9322 60 Q 4.4811 8.5232 117.9363 57.3265 29.2805 176.0513 61 S 3.7345 9.0656 113.1523 59.1496 63.1906 172.9012 62 G 3.9671 7.7480 112.1518 45.3806 0.0000 173.1862 63 P 4.3718 0.0000 0.0000 64.9653 31.4878 177.4401 64 L 4.6261 7.4665 113.6616 54.7206 41.6270 176.2682 65 D 4.8002 7.6422 116.3914 54.2252 41.1535 175.1663 66 D 4.9405 7.7987 117.3909 51.1953 43.7047 176.4662 67 I 3.8481 8.5387 126.0585 64.2370 37.9836 177.7122 68 D 4.4192 8.7312 120.4294 57.2709 40.7643 179.0816 69 V 3.7677 8.0931 119.0292 64.4820 31.5794 178.2697 70 A 4.0376 8.5784 122.0149 55.0322 18.1744 179.3354 71 L 3.9761 8.2641 119.3055 58.3726 42.0289 179.4886 72 R 4.1855 8.1667 118.2440 58.9455 29.9561 178.5965 73 L 3.9881 8.1019 120.1570 58.4861 41.9509 179.0546 74 I 3.7579 7.7436 118.1819 64.6206 37.3526 177.4159 75 Y 4.3907 7.9889 120.0835 60.2867 38.4671 177.3439 76 A 3.8379 8.2550 122.3850 55.1114 18.5900 178.1408 77 L 4.0567 8.1449 113.2178 54.5004 41.4941 173.6284 78 G 3.5679 7.6357 115.7393 45.3260 0.0000 173.8673 *81 D 4.3898 8.1243 124.7922 53.0132 43.3398 176.1497 82 K 3.8332 8.7725 124.2290 59.8724 32.1745 178.9456 83 W 4.4539 7.9686 116.0742 59.3176 28.3322 177.9831 84 L 3.1881 6.2083 120.6529 57.3434 41.4006 178.1307 85 Y 3.6177 7.5179 119.4826 60.2008 38.5920 177.2933 86 A 3.7475 8.3397 122.0551 55.2535 18.4582 179.3429 87 D 4.3737 7.8972 117.0233 57.7631 40.9665 179.2299 88 I 3.7496 7.6720 120.4985 64.3539 36.9486 178.6784 89 T 3.7444 7.6012 110.7154 65.1359 68.6273 176.2731 90 H 4.3302 8.3796 119.7259 58.7026 28.8580 177.6658 91 F 4.3426 8.8154 119.5931 60.6871 38.6192 177.7841 92 S 4.3805 8.3052 112.8285 61.4768 62.2853 176.0886 93 Q 4.1640 8.5803 121.1438 59.4021 28.5327 178.4051 94 Y 4.5336 8.2154 120.3445 60.3304 38.6488 177.6478 95 W 4.3643 8.2891 129.0844 60.7443 30.8001 177.6219 96 H 3.7045 8.5096 116.4636 58.9763 28.1922 177.0697 97 Y 3.9795 8.6573 121.4879 60.7631 37.6164 178.2711 98 L 4.5317 7.8846 121.2108 57.0824 41.5634 178.5328 99 N 4.3384 7.5900 115.2901 54.7786 38.9147 175.7601 100 E 4.3828 8.1333 118.3005 56.2858 31.1682 176.1939 101 Q 4.1042 7.3420 115.3794 56.6442 30.8785 175.8371 102 D 4.1180 6.7462 119.9341 53.6597 42.5269 175.4602 103 E 4.1454 8.4383 126.9326 57.9987 29.7822 178.4779 104 T 4.0368 7.7631 108.7635 62.9941 69.3200 173.6739 105 P 4.5109 0.0000 0.0000 62.9025 30.4664 176.1557 106 G 4.0253 8.9471 111.5969 43.9516 0.0000 174.3079 107 F 4.4703 8.5581 116.5715 59.8641 38.9214 176.3056 108 A 4.9410 7.4832 120.4539 52.2134 19.5346 177.1612 109 D 4.8156 7.8258 117.1260 53.7776 43.3796 177.0359 110 D 4.5365 8.6123 121.1136 57.5502 40.7252 178.9741 111 I 3.6856 7.8302 119.0570 64.2511 38.1202 177.5447 112 T 4.1596 7.9973 108.8944 63.1608 68.9637 176.4325 113 W 4.3123 8.1857 131.9437 60.9039 30.6326 177.6290 114 D 4.2639 8.2346 117.4458 56.9608 40.3905 178.4762 115 F 4.0261 7.7763 121.5416 61.1672 39.4758 177.4923 116 I 3.2270 7.8956 112.6952 63.5958 37.1629 177.5066 117 S 3.8257 7.3983 114.2235 59.1106 62.5848 173.8323 118 N 4.6005 7.3667 118.6748 52.4324 40.2552 174.5614 119 V 3.8956 7.1145 118.4166 62.7666 32.4701 175.8154 120 N 4.2260 9.5930 125.4379 56.5847 38.4055 177.6580 121 S 4.3081 8.7418 115.5101 61.0481 63.1563 176.6525 122 I 3.7442 7.5391 123.2235 64.4826 36.9354 177.7456 123 T 3.2163 7.7610 115.5057 66.8367 68.4603 176.2522 124 R 4.2145 8.1526 116.6949 56.6114 31.3458 177.5490 125 N 4.6008 8.1071 118.3388 52.5561 37.5957 175.6859 126 A 3.7316 7.6544 125.2287 54.3468 19.6418 178.9128 127 T 3.9008 7.8730 106.6542 64.3785 69.4135 176.2768 128 L 3.9411 8.4284 123.7825 58.3460 42.0169 178.5739 129 Y 4.4669 8.0532 118.7289 60.9981 38.8074 177.4274 130 D 4.3845 8.1206 119.3561 57.1773 40.6323 178.7475 131 A 4.0039 7.7048 120.0659 55.1246 18.5275 179.2887 132 L 4.3641 7.8049 116.0948 58.0698 41.8866 179.5816 133 K 4.1734 8.3818 116.9833 59.1327 33.7710 176.8152 134 A 4.0972 8.3463 122.5066 52.1786 15.9610 178.0938 *137 F 4.4440 7.4916 116.9445 55.9643 41.4048 176.8677 138 A 3.7840 7.1098 122.8378 54.5535 18.1576 178.6981 *145 E 4.4010 8.6073 116.3599 54.9939 32.6264 177.5279 146 A 4.0486 8.0909 119.9743 55.5256 18.1356 179.6655 147 R 3.8692 7.8765 114.3736 59.2445 30.3514 178.6185 148 F 4.3321 8.1762 118.6729 61.5416 39.6968 176.6957 149 S 4.2917 8.3435 114.8264 61.3865 62.6838 177.7580 150 G 3.7244 7.6840 105.8955 45.0962 0.0000 175.5160 *152 V 3.7808 7.7334 120.4981 62.4187 33.3856 177.0671 153 K 3.0150 7.2616 120.2335 59.7347 31.7041 178.4066 154 T 3.7736 7.5960 114.9226 66.5247 68.3938 176.1621 155 A 4.0519 8.0020 122.1366 55.5755 18.3656 179.3411 156 L 4.2226 8.4266 117.2787 58.5576 41.6792 180.1251 157 T 4.1935 8.3597 115.8471 66.5643 68.4437 176.4346 158 L 3.9525 8.8022 122.6137 58.0706 42.0287 178.7566 159 A 4.1802 8.4875 122.2218 54.5658 18.4041 180.0068 160 V 3.2382 7.7576 116.7322 65.4541 31.6461 178.3740 161 T 3.8135 7.9054 117.5202 66.5019 68.2792 176.2830 162 T 3.9413 8.0820 111.2651 64.9561 68.7779 176.4416 163 T 3.8260 8.0093 118.2946 66.5864 68.3216 175.6978 164 L 3.9845 8.2531 122.1216 57.9370 40.4914 178.9127 165 K 3.9587 7.8630 119.4247 59.4353 31.9797 178.3478 166 E 4.0804 8.2198 118.0767 58.3096 29.5574 178.5686 167 L 3.8676 7.2252 117.9286 57.5089 41.8606 176.7631 168 T 4.1374 7.2732 114.7344 62.6477 67.7171 172.7054 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 A 8.26 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.27 4.23 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 1.20 0.00 0.00 4 L 8.37 3.80 0.00 1.70 1.69 0.95 0.65 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 5 T 8.18 4.56 4.23 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 1.25 0.00 0.00 6 E 8.55 3.93 0.00 2.04 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 2.36 2.39 0.00 7 D 8.14 4.42 0.00 2.72 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 8 D 7.60 4.49 0.00 2.86 2.88 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 9 V 7.64 3.57 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 0.90 0.00 0.00 0.87 0.00 0.00 10 L 7.94 3.99 0.00 1.96 1.64 0.94 0.95 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 11 E 7.53 3.88 0.00 2.18 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 0.00 2.29 2.37 0.00 12 Q 7.64 3.97 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 13 L 7.86 3.90 0.00 1.71 1.70 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.07 4.41 0.00 2.91 2.97 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 15 A 7.67 4.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.65 4.04 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 17 D 8.78 4.84 0.00 2.88 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 18 N 7.81 5.00 0.00 2.87 2.94 0.00 0.00 5.85 6.67 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 19 L 7.77 3.09 0.00 0.90 1.57 0.91 0.62 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 20 F 8.31 4.36 0.00 3.13 3.35 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 21 S 8.79 4.09 0.00 4.12 4.18 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 22 F 8.57 4.32 0.00 3.44 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 *25 T 7.71 4.00 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 1.00 0.00 0.00 26 A 7.90 3.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.61 3.88 0.00 2.50 2.38 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.41 3.88 0.00 3.73 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 29 I 7.38 3.54 1.68 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 1.40 0.40 0.79 0.00 0.00 30 L 7.73 3.82 0.00 1.52 1.58 0.66 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.72 3.80 0.00 1.72 1.55 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.90 3.99 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 33 G 8.07 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 34 I 8.27 3.88 2.06 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 1.46 0.49 0.94 0.00 0.00 35 R 7.90 4.21 0.00 2.00 2.09 0.00 3.06 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 36 Q 8.32 4.20 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 37 F 8.38 4.27 0.00 3.00 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 38 L 7.95 3.78 0.00 1.99 1.80 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.39 0.00 2.11 2.13 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 40 S 7.72 4.16 0.00 3.68 3.64 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 41 L 7.26 3.87 0.00 0.27 0.94 0.62 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 F 6.75 5.15 0.00 2.93 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 43 V 8.51 3.72 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 0.88 0.00 0.00 0.97 0.00 0.00 44 D 8.56 4.85 0.00 2.76 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 45 N 8.10 4.60 0.00 2.83 2.97 0.00 0.00 6.06 8.06 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 46 D 7.87 4.54 0.00 2.74 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 47 E 8.72 3.92 0.00 2.07 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 2.34 2.34 0.00 48 E 8.22 4.02 0.00 2.15 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 2.55 2.81 0.00 49 I 8.14 3.91 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.90 0.00 0.00 50 V 7.19 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 0.75 0.00 0.00 1.05 0.00 0.00 51 E 7.86 3.81 0.00 1.67 1.57 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 1.47 1.47 0.00 52 Y 8.01 4.48 0.00 3.07 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 53 A 7.55 4.43 1.26 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 0.00 0.00 54 V 7.61 3.61 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 0.99 0.00 0.00 0.90 0.00 0.00 *56 P 0.00 4.37 0.00 2.23 2.12 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 57 L 7.77 3.83 0.00 1.89 1.58 0.86 -0.05 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 58 L 7.55 4.53 0.00 1.73 1.73 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.30 4.21 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 60 Q 8.52 4.48 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 61 S 9.07 3.73 0.00 4.07 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 62 G 7.75 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 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.08 2.15 0.00 3.85 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 2.03 2.12 0.00 64 L 7.47 4.63 0.00 1.77 1.74 1.14 0.95 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 65 D 7.64 4.80 0.00 2.73 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 66 D 7.80 4.94 0.00 2.67 2.51 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 67 I 8.54 3.85 1.87 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 1.64 1.38 1.04 0.00 0.00 68 D 8.73 4.42 0.00 2.98 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 69 V 8.09 3.77 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 0.95 0.00 0.00 1.04 0.00 0.00 70 A 8.58 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 71 L 8.26 3.98 0.00 2.03 1.75 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.17 4.19 0.00 2.21 2.07 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 73 L 8.10 3.99 0.00 2.08 1.86 1.09 0.92 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 74 I 7.74 3.76 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.97 0.00 0.00 75 Y 7.99 4.39 0.00 2.91 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 76 A 8.25 3.84 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 77 L 8.14 4.06 0.00 1.72 1.70 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.64 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 *81 D 8.12 4.39 0.00 2.12 2.33 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 82 K 8.77 3.83 0.00 1.96 1.98 0.00 1.83 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.64 1.68 7.81 83 W 7.97 4.45 0.00 3.80 3.38 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 84 L 6.21 3.19 0.00 0.27 0.99 0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.52 3.62 0.00 2.38 2.51 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 86 A 8.34 3.75 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.90 4.37 0.00 2.96 2.82 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 88 I 7.67 3.75 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.81 0.00 0.00 89 T 7.60 3.74 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 0.25 0.00 0.00 90 H 8.38 4.33 0.00 3.18 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.82 4.34 0.00 3.48 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.38 0.00 4.05 4.12 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 0.00 0.00 0.00 93 Q 8.58 4.16 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 94 Y 8.22 4.53 0.00 2.86 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 95 W 8.29 4.36 0.00 3.46 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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104 T 7.76 4.04 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 1.13 0.00 0.00 105 P 0.00 4.51 0.00 2.18 2.17 0.00 3.71 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 2.28 2.26 0.00 106 G 8.95 4.03 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 0.00 0.00 0.00 107 F 8.56 4.47 0.00 3.09 2.97 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 0.00 108 A 7.48 4.94 1.54 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 0.00 0.00 109 D 7.83 4.82 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 0.00 110 D 8.61 4.54 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.83 3.69 1.91 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 1.54 1.51 1.03 0.00 0.00 112 T 8.00 4.16 4.51 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 1.49 0.00 0.00 113 W 8.19 4.31 0.00 3.57 3.39 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 0.00 114 D 8.23 4.26 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.78 4.03 0.00 2.34 2.80 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 0.00 116 I 7.90 3.23 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 1.16 0.00 0.00 117 S 7.40 3.83 0.00 3.49 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 0.00 118 N 7.37 4.60 0.00 2.51 2.54 0.00 0.00 7.06 7.26 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 0.00 119 V 7.11 3.90 1.93 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 1.12 0.00 0.00 0.29 0.00 0.00 120 N 9.59 4.23 0.00 3.30 2.82 0.00 0.00 6.32 7.54 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 0.00 121 S 8.74 4.31 0.00 4.07 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 0.00 122 I 7.54 3.74 1.82 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 1.73 1.08 0.75 0.00 0.00 123 T 7.76 3.22 4.15 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 1.04 0.00 0.00 124 R 8.15 4.21 0.00 1.53 1.81 0.00 2.92 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 125 N 8.11 4.60 0.00 2.76 2.84 0.00 0.00 6.97 7.99 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 0.00 126 A 7.65 3.73 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 0.00 127 T 7.87 3.90 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 128 L 8.43 3.94 0.00 2.12 1.89 0.95 1.14 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 0.00 129 Y 8.05 4.47 0.00 3.04 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 0.00 130 D 8.12 4.38 0.00 2.81 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 0.00 131 A 7.70 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.80 4.36 0.00 2.17 2.39 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.38 4.17 0.00 1.81 1.94 0.00 1.24 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.65 1.16 7.81 134 A 8.35 4.10 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 *137 F 7.49 4.44 0.00 2.98 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 0.00 138 A 7.11 3.78 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 E 8.61 4.40 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 146 A 8.09 4.05 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 0.00 147 R 7.88 3.87 0.00 1.81 2.06 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 148 F 8.18 4.33 0.00 2.96 3.12 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 0.00 0.00 0.00 149 S 8.34 4.29 0.00 4.09 4.06 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 0.00 150 G 7.68 3.72 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 *152 V 7.73 3.78 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 1.11 0.00 0.00 0.44 0.00 0.00 153 K 7.26 3.01 0.00 0.90 1.60 0.00 1.47 0.00 0.00 1.20 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.29 1.17 7.81 154 T 7.60 3.77 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 1.20 0.00 0.00 155 A 8.00 4.05 1.36 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 0.00 0.00 0.00 156 L 8.43 4.22 0.00 1.76 1.72 1.20 0.73 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 0.00 157 T 8.36 4.19 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 158 L 8.80 3.95 0.00 1.79 2.02 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.49 4.18 1.60 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 0.00 160 V 7.76 3.24 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 1.08 0.00 0.00 0.76 0.00 0.00 161 T 7.91 3.81 4.53 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 1.26 0.00 0.00 162 T 8.08 3.94 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 1.31 0.00 0.00 163 T 8.01 3.83 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 164 L 8.25 3.98 0.00 1.99 1.68 0.81 0.42 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 0.00 165 K 7.86 3.96 0.00 2.09 1.98 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 166 E 8.22 4.08 0.00 2.21 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 2.59 2.49 0.00 167 L 7.23 3.87 0.00 1.77 1.60 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.27 4.14 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.