NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.2241 8.2033 120.9595 55.5309 30.0670 173.7524 13 F 5.2636 8.4762 123.0675 53.9881 42.2744 173.8386 14 L 4.3270 9.7987 123.5181 54.8532 43.1544 176.1644 15 R 5.2598 8.8988 122.5616 54.0612 33.7221 175.8017 16 T 4.2055 8.7755 112.7697 63.2423 69.2229 174.8002 17 D 4.7659 9.7688 123.2080 54.4135 40.2266 174.6419 18 D 4.4875 7.6764 119.7922 54.5332 42.1768 174.9813 19 E 4.9423 8.7630 123.9892 55.4061 31.2847 175.2094 20 V 5.1037 9.4407 119.7475 59.9101 36.9340 174.5259 21 V 4.9268 8.9333 115.2096 59.7039 35.3376 174.8133 22 L 5.1352 8.4537 123.4776 53.3949 43.6246 175.3782 23 Q 5.9861 9.6756 123.2725 53.2903 32.4672 174.4705 24 C 4.7732 8.3400 115.8731 56.6009 33.6458 172.3767 25 T 4.6675 7.9945 115.8647 61.8324 70.0849 173.9391 26 A 3.8707 8.7402 128.1124 50.0456 21.3295 174.8965 27 T 5.0133 7.9203 118.9451 62.0222 71.6309 173.8954 28 I 4.0983 9.1239 123.5479 61.6898 41.6925 173.7614 29 H 4.3533 9.5161 126.0367 57.8669 26.0525 175.4319 30 K 3.9213 8.4340 115.6602 55.9455 29.5727 177.4914 31 E 4.7976 8.1194 114.7529 54.8253 32.9136 177.4566 32 Q 5.3386 8.6074 124.5934 53.5017 32.1017 174.2250 33 Q 4.6266 8.6520 121.9528 54.8774 32.8972 173.2577 34 K 4.8929 8.4832 119.0008 54.8637 34.8411 175.4104 35 L 5.3623 8.6941 123.4034 53.0141 45.7880 173.0239 36 C 5.5939 8.8507 116.2523 53.3472 41.9218 172.7830 37 L 4.5969 9.0856 123.9592 55.1945 42.7460 175.6031 38 A 5.1782 8.7522 127.2253 50.3920 22.6248 174.3345 39 A 4.8921 8.3074 121.8500 51.6661 22.7572 176.5233 40 E 4.7311 8.8252 114.4730 54.1536 33.4559 177.7881 41 G 4.0456 8.8778 112.2082 45.9804 0.0000 173.9088 *42 F 4.8009 7.7042 117.1107 55.4258 41.9697 181.4525 43 G 3.9197 8.4508 107.2902 46.5677 0.0000 174.8272 44 N 4.4361 8.9651 122.6196 53.4630 37.8008 176.0570 45 R 4.2951 7.6140 115.3473 56.2219 27.6348 180.6877 46 L 4.6113 7.5122 116.3169 55.5508 42.3240 176.9269 47 C 4.8704 8.5739 120.2746 60.2480 29.2853 172.7824 48 F 5.0291 8.2971 115.2400 56.3689 41.3288 172.3703 49 L 5.2178 8.7534 117.3865 53.2228 44.8918 176.1941 50 E 4.7525 8.7287 122.3754 54.8937 31.5982 175.9275 51 S 4.7820 8.8063 120.1083 58.8763 63.6840 173.6255 52 T 4.7843 8.1478 113.7386 59.7796 70.6615 174.5117 53 S 3.9506 8.9890 121.6560 62.0734 62.9149 176.3227 *58 V 3.8382 7.5594 121.4766 58.9408 31.9442 174.6565 59 P 4.7623 0.0000 0.0000 60.5752 31.9107 175.3952 60 P 4.2736 0.0000 0.0000 65.0420 31.2015 175.4796 61 D 4.7105 8.0457 118.1555 51.6907 41.8452 174.6366 62 L 4.1240 8.3633 129.3150 57.5962 42.7805 179.0097 63 S 4.0732 8.2938 114.0009 61.6733 62.6432 176.4821 64 I 3.8344 7.7622 115.5001 62.9327 37.2035 176.5004 65 C 5.4428 7.7002 117.7587 55.9419 41.8287 173.2714 66 T 4.5809 7.0244 119.4937 62.9182 69.4509 173.9247 67 F 5.1292 9.1892 124.4468 55.6519 43.6245 173.8104 68 V 4.6254 8.6974 122.7310 61.4123 33.3996 175.1806 69 L 4.7800 8.6888 128.2256 54.5567 40.7731 177.5592 70 E 4.1606 9.0682 123.7969 58.9188 30.0760 177.4361 71 Q 4.7617 7.9707 116.7148 54.2559 33.6749 174.5786 72 S 5.0002 8.7940 116.2560 57.2542 64.7539 172.8098 73 L 5.0435 9.3719 127.6153 52.3521 45.8053 176.9090 74 S 4.1223 8.2357 115.6887 57.8917 64.0166 175.1627 75 V 3.4061 8.5538 122.2798 66.3959 30.9702 178.2117 76 R 3.7766 7.9551 117.2735 59.5845 29.8866 178.1174 77 A 3.8734 7.9830 120.3901 55.0048 18.3547 179.3935 78 L 3.5379 7.9197 119.0848 58.2240 41.9898 179.2733 79 Q 3.8775 8.1926 118.3861 58.5237 28.6327 178.0332 80 E 3.8474 8.2856 120.6687 59.5929 29.4532 178.7606 81 M 3.9913 7.7292 117.1458 58.5274 32.1965 178.5422 82 L 4.0565 7.8977 118.7513 57.5789 41.6247 179.2725 83 A 3.9683 8.2673 121.1694 55.3857 18.0956 179.4388 84 N 4.3891 8.0956 113.7522 55.9294 38.6623 177.0958 85 T 4.1775 7.4548 109.9131 63.2594 69.3099 175.5896 86 V 3.6478 7.2999 122.3633 65.1650 32.0736 176.1848 *110 H 4.8321 7.8845 118.7052 56.3874 27.9551 179.0982 111 R 4.1670 8.2116 123.2446 57.1974 31.0649 179.2046 112 T 4.5361 8.3344 119.4119 62.8453 69.5938 174.4130 113 L 4.2060 9.0115 126.4804 54.6889 43.0647 175.9896 114 L 5.0882 8.1503 122.8681 52.6714 45.1022 175.6786 115 Y 4.3211 8.6926 121.2162 59.5664 38.2914 177.3281 116 G 4.2827 9.2114 113.7862 45.4932 0.0000 173.6463 117 H 4.6924 8.0487 116.1923 55.5940 30.4121 174.3045 118 A 5.2791 9.4666 124.5905 51.0862 20.4857 176.5595 119 I 5.2381 9.2431 115.7922 58.9888 41.5986 174.0918 120 L 4.6107 8.4999 125.0521 53.1537 44.6833 174.9852 121 L 4.8979 8.5703 126.1970 53.0489 44.0020 175.3889 122 R 4.1594 8.7578 126.4289 55.0546 31.3799 174.9747 123 H 3.5358 8.9906 128.0980 56.5147 30.1931 175.6779 124 S 3.8451 8.3447 124.5027 62.5768 62.1751 175.9233 *125 Y 4.0145 7.4661 116.6649 59.7925 36.7601 179.1708 126 S 4.2137 7.7611 113.8350 58.9576 63.5407 175.4213 127 G 3.8128 8.0717 108.8203 45.4062 0.0000 173.1548 128 M 4.4903 7.4058 119.1474 54.5810 34.9159 174.3545 129 Y 5.2046 8.4862 115.6739 56.1913 41.9643 175.3592 130 L 4.5696 8.9794 126.1110 55.7062 43.3560 175.3347 131 C 5.1898 9.3030 125.7706 57.8531 35.6189 172.0572 132 C 4.8360 9.0009 126.7048 58.9541 31.3067 172.8665 133 L 4.6266 8.8278 126.5359 53.5717 43.5684 177.4288 134 S 3.8063 8.5345 116.2010 59.1547 63.5467 174.1236 135 T 4.5397 7.3129 111.5808 59.6128 70.1708 174.9154 136 S 5.3117 8.6014 122.6189 58.8444 65.2239 176.5871 *143 L 4.4937 8.3812 122.1711 54.1842 41.7598 178.9520 144 A 4.4085 8.8567 118.7311 52.6845 20.1788 178.1630 145 F 5.3572 8.5834 119.6496 56.2891 41.6789 175.3415 146 D 4.9678 9.2788 120.9340 54.3646 42.3951 175.6092 147 V 4.8444 8.2596 120.5888 61.7515 34.6211 174.9688 148 G 4.5291 8.6732 112.7838 46.1833 0.0000 171.1163 149 L 5.4467 8.4483 120.3812 53.3265 43.6383 176.3372 150 Q 4.5652 9.0549 123.3503 54.6939 32.3967 175.8131 151 E 4.0020 9.2853 127.8961 60.1985 30.0101 177.9061 152 D 4.6850 7.8666 116.5837 52.9544 40.6637 178.1663 153 T 4.3588 8.0471 110.0716 61.0918 69.9799 174.5887 154 T 3.8438 7.7196 113.9103 62.6047 69.0473 172.9541 155 G 3.7566 8.6480 111.4063 44.4671 0.0000 172.7840 156 E 4.4579 8.6565 116.0817 56.7796 30.5440 178.5464 157 A 4.2660 8.2709 121.5290 54.1301 18.4731 178.2350 158 C 4.6166 7.8240 107.3362 57.2581 30.5177 173.0055 159 W 4.9547 7.8902 121.5254 54.9410 31.6135 174.9687 160 W 5.4869 9.1277 123.5821 54.9617 32.1625 174.8174 161 T 4.8367 9.1807 116.9132 61.4966 69.9339 173.5596 162 I 5.0237 8.5716 118.9876 60.1632 39.6877 174.3361 163 H 5.5639 9.5754 123.2814 52.9562 32.6456 171.3384 164 P 4.3778 0.0000 0.0000 62.7224 31.3523 176.3407 165 A 4.0637 8.3564 126.9712 54.7604 18.4731 177.5558 166 S 4.6884 7.7221 110.4681 57.1671 65.4104 174.3604 167 K 4.2323 8.3943 119.7160 55.6559 31.6759 173.6687 168 Q 4.4872 7.6018 115.5779 56.6498 29.2439 175.6859 169 R 4.5420 7.5495 117.3806 54.7158 31.8216 175.5255 170 S 4.6661 8.4923 117.6846 56.3849 65.4527 173.8426 171 E 4.4066 8.5852 121.4564 57.5051 29.7898 178.2263 172 G 4.1171 9.2362 113.6503 44.2000 0.0000 173.8006 173 E 4.2784 8.0447 119.4324 55.9222 30.7841 176.7601 174 K 4.2862 8.4876 122.1918 56.6675 33.0631 176.7482 175 V 3.7755 8.5666 125.5401 61.9500 32.6285 175.5362 176 R 4.7042 8.8729 127.5471 55.6416 31.5241 176.5872 177 V 3.7992 7.9612 122.8122 64.3688 31.9084 176.1248 178 G 4.1114 8.9879 115.0042 45.6499 0.0000 173.6671 179 D 4.5578 7.5963 119.1477 54.2366 41.1548 175.3943 180 D 4.9600 8.6675 123.0453 53.6052 42.3134 175.5256 181 L 5.1787 9.5103 124.8338 53.6113 44.4013 175.5696 182 I 5.0063 8.8156 122.6153 59.6945 40.0153 174.5367 183 L 5.4969 8.9234 125.7109 53.0158 44.7588 175.3607 184 V 4.9106 8.8068 123.3675 60.8033 34.7979 174.4958 185 S 3.7399 9.2886 123.5886 58.1836 62.6258 174.8047 186 V 3.5808 8.2544 128.4954 66.2185 31.4623 177.5675 187 S 4.3690 8.1338 115.1209 60.4608 63.0149 175.3204 188 S 4.5835 7.6867 114.1635 57.4008 63.9158 174.7426 189 E 3.7899 8.1191 115.7134 56.7890 27.7650 179.4771 190 R 4.6125 7.1453 116.8461 55.6558 33.0997 175.2613 191 Y 5.0786 9.0077 119.2303 57.0579 39.9653 174.9158 192 L 4.5767 9.1911 125.5635 55.9273 42.6278 175.6437 193 H 5.2384 9.6909 127.1012 54.2502 33.3190 171.9231 194 L 4.9729 9.0071 127.9111 54.4410 43.0532 175.6770 195 S 4.8289 9.4651 120.9578 56.7283 65.8002 172.1678 196 Y 4.2345 8.9056 128.6541 56.5492 38.4815 174.6832 197 G 3.9928 8.0940 121.1849 45.1307 0.0000 171.5783 198 N 3.8459 7.8375 112.8907 56.4699 39.1151 175.2040 199 S 4.3285 7.4357 111.6966 57.6999 64.0174 173.3428 200 S 4.5045 6.9840 111.5233 55.7325 65.9889 171.8045 201 W 5.2324 8.3968 119.1787 55.5704 30.9245 175.4136 202 H 5.3661 9.7552 120.2217 54.1346 33.4563 172.3670 203 V 5.2347 8.5515 118.4353 60.3893 33.8797 174.5765 204 D 4.9343 9.2076 122.7592 52.2951 43.8265 173.2694 205 A 5.4165 9.1192 120.3815 50.7550 20.9736 175.7105 206 A 4.8971 8.9426 123.3433 51.1397 23.1749 176.0637 207 F 4.7935 8.9036 114.7358 58.3302 39.5088 176.1291 208 Q 4.6768 7.6488 119.2866 53.6273 31.3115 175.4875 209 Q 3.7762 7.8662 119.5309 56.1144 29.4498 176.0004 210 T 4.4813 8.0402 115.7865 61.6020 72.1974 173.7647 211 L 4.3793 8.3038 126.2583 54.4629 42.3713 176.2477 212 W 4.7119 9.6233 124.3450 54.8380 32.2848 174.9326 213 S 4.7415 9.5820 119.9037 56.8452 63.6277 173.1820 214 V 4.7042 8.5357 128.4988 61.6244 32.0378 174.4690 215 A 4.8896 8.4992 130.2382 49.1522 22.0440 173.5453 216 P 4.7958 0.0000 0.0000 62.3308 32.1713 177.4592 217 I 3.6956 8.0516 121.6058 60.8764 37.7590 170.5431 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 12 Q 8.20 4.22 0.00 1.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 13 F 8.48 5.26 0.00 3.01 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 14 L 9.80 4.33 0.00 1.58 1.60 0.91 0.80 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 15 R 8.90 5.26 0.00 1.90 1.81 0.00 3.34 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 16 T 8.78 4.21 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 1.30 0.00 0.00 17 D 9.77 4.77 0.00 2.72 2.94 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 18 D 7.68 4.49 0.00 2.96 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 19 E 8.76 4.94 0.00 2.04 1.80 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 2.30 2.30 0.00 20 V 9.44 5.10 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 0.67 0.00 0.00 1.02 0.00 0.00 21 V 8.93 4.93 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 0.76 0.00 0.00 0.96 0.00 0.00 22 L 8.45 5.14 0.00 1.37 1.43 0.54 0.20 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 23 Q 9.68 5.99 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.14 0.00 24 C 8.34 4.77 0.00 2.12 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 25 T 7.99 4.67 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 1.08 0.00 0.00 26 A 8.74 3.87 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.92 5.01 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 1.19 0.00 0.00 28 I 9.12 4.10 1.91 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.72 0.98 0.00 0.00 29 H 9.52 4.35 0.00 3.30 3.32 0.00 6.10 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.43 3.92 0.00 1.93 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.98 7.81 31 E 8.12 4.80 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 32 Q 8.61 5.34 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 33 Q 8.65 4.63 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 34 K 8.48 4.89 0.00 1.66 1.67 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 35 L 8.69 5.36 0.00 1.45 1.56 0.53 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.85 5.59 0.00 3.09 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 37 L 9.09 4.60 0.00 1.55 1.41 0.68 0.32 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 38 A 8.75 5.18 0.36 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 39 A 8.31 4.89 1.01 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 0.00 0.00 40 E 8.83 4.73 0.00 1.85 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 2.19 1.83 0.00 41 G 8.88 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 0.00 0.00 0.00 *42 F 7.70 4.80 0.00 2.27 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 0.00 0.00 0.00 43 G 8.45 3.92 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 0.00 0.00 0.00 44 N 8.97 4.44 0.00 2.85 2.95 0.00 0.00 5.77 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 45 R 7.61 4.30 0.00 2.00 1.98 0.00 3.25 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 46 L 7.51 4.61 0.00 1.78 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.57 4.87 0.00 3.04 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 48 F 8.30 5.03 0.00 3.25 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 49 L 8.75 5.22 0.00 1.65 1.65 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.73 4.75 0.00 1.93 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 2.36 2.31 0.00 51 S 8.81 4.78 0.00 3.80 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 52 T 8.15 4.78 4.34 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 1.24 0.00 0.00 53 S 8.99 3.95 0.00 3.96 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 *58 V 7.56 3.84 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 0.93 0.00 0.00 59 P 0.00 4.76 0.00 2.04 2.09 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 60 P 0.00 4.27 0.00 2.20 2.21 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 61 D 8.05 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 62 L 8.36 4.12 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 71 Q 7.97 4.76 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 72 S 8.79 5.00 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.37 5.04 0.00 1.35 1.33 0.66 0.70 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 74 S 8.24 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 75 V 8.55 3.41 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 1.08 0.00 0.00 0.91 0.00 0.00 76 R 7.96 3.78 0.00 1.87 1.86 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 77 A 7.98 3.87 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 78 L 7.92 3.54 0.00 1.12 1.53 -0.44 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.19 3.88 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 80 E 8.29 3.85 0.00 1.99 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 2.25 2.31 0.00 81 M 7.73 3.99 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 82 L 7.90 4.06 0.00 1.60 1.64 0.74 0.50 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 83 A 8.27 3.97 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 84 N 8.10 4.39 0.00 2.81 2.87 0.00 0.00 7.09 6.98 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 85 T 7.45 4.18 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 1.21 0.00 0.00 86 V 7.30 3.65 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 0.71 0.00 0.00 0.94 0.00 0.00 *110 H 7.88 4.83 0.00 2.76 2.93 0.00 7.26 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.21 4.17 0.00 1.53 1.84 0.00 3.23 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 112 T 8.33 4.54 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 0.99 0.00 0.00 113 L 9.01 4.21 0.00 1.68 1.47 0.98 0.40 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 0.00 114 L 8.15 5.09 0.00 1.14 1.39 0.79 0.83 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 0.00 115 Y 8.69 4.32 0.00 3.17 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 0.00 116 G 9.21 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 0.00 0.00 0.00 0.00 117 H 8.05 4.69 0.00 3.39 3.34 0.00 5.80 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 0.00 118 A 9.47 5.28 1.30 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.07 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 0.00 128 M 7.41 4.49 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 129 Y 8.49 5.20 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.98 4.57 0.00 1.72 1.51 0.72 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 131 C 9.30 5.19 0.00 3.25 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 0.00 132 C 9.00 4.84 0.00 2.58 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 0.00 133 L 8.83 4.63 0.00 1.76 1.54 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.53 3.81 0.00 3.62 3.68 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 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0.00 1.55 1.62 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 9.05 4.57 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 151 E 9.29 4.00 0.00 2.04 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 2.36 2.34 0.00 152 D 7.87 4.69 0.00 2.70 2.44 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 0.00 153 T 8.05 4.36 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 0.17 0.00 0.00 154 T 7.72 3.84 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 1.22 0.00 0.00 155 G 8.65 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 0.00 156 E 8.66 4.46 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 157 A 8.27 4.27 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 C 7.82 4.62 0.00 2.74 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 0.00 159 W 7.89 4.95 0.00 3.31 3.11 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 0.00 160 W 9.13 5.49 0.00 3.26 3.13 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 0.00 161 T 9.18 4.84 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 1.27 0.00 0.00 162 I 8.57 5.02 1.96 0.00 0.00 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 1.28 1.17 0.98 0.00 0.00 163 H 9.58 5.56 0.00 3.25 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.38 0.00 2.03 1.24 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 165 A 8.36 4.06 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 0.00 166 S 7.72 4.69 0.00 3.95 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 0.00 167 K 8.39 4.23 0.00 1.80 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.02 7.81 168 Q 7.60 4.49 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 169 R 7.55 4.54 0.00 1.35 1.05 0.00 3.51 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 170 S 8.49 4.67 0.00 3.90 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 0.00 171 E 8.59 4.41 0.00 2.03 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 172 G 9.24 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 0.00 0.00 0.00 173 E 8.04 4.28 0.00 2.45 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 0.00 2.39 2.36 0.00 174 K 8.49 4.29 0.00 1.40 1.26 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.20 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.95 1.13 7.81 175 V 8.57 3.78 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 0.85 0.00 0.00 0.07 0.00 0.00 176 R 8.87 4.70 0.00 2.26 1.86 0.00 3.53 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 177 V 7.96 3.80 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 0.72 0.00 0.00 0.93 0.00 0.00 178 G 8.99 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 0.00 179 D 7.60 4.56 0.00 2.98 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 0.00 180 D 8.67 4.96 0.00 2.63 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 0.00 181 L 9.51 5.18 0.00 1.70 1.72 0.94 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.82 5.01 2.09 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 1.32 0.76 1.24 0.00 0.00 183 L 8.92 5.50 0.00 1.60 1.67 0.96 0.23 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 0.00 184 V 8.81 4.91 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 0.89 0.00 0.00 0.70 0.00 0.00 185 S 9.29 3.74 0.00 3.39 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 0.00 186 V 8.25 3.58 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 0.73 0.00 0.00 0.97 0.00 0.00 187 S 8.13 4.37 0.00 3.94 3.98 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 0.00 188 S 7.69 4.58 0.00 4.26 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.12 3.79 0.00 2.20 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 2.15 2.13 0.00 190 R 7.15 4.61 0.00 1.77 1.81 0.00 2.91 0.00 0.00 2.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.02 0.00 191 Y 9.01 5.08 0.00 3.12 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 0.00 192 L 9.19 4.58 0.00 1.33 1.57 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 193 H 9.69 5.24 0.00 3.62 3.57 0.00 5.82 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 0.00 194 L 9.01 4.97 0.00 1.42 1.38 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 195 S 9.47 4.83 0.00 4.06 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 0.00 196 Y 8.91 4.23 0.00 2.29 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 0.00 197 G 8.09 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 0.00 198 N 7.84 3.85 0.00 2.65 2.74 0.00 0.00 6.43 7.57 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 0.00 199 S 7.44 4.33 0.00 3.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 6.98 4.50 0.00 3.90 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 0.00 201 W 8.40 5.23 0.00 3.19 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 0.00 202 H 9.76 5.37 0.00 3.07 3.25 0.00 5.55 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 0.00 203 V 8.55 5.23 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 0.86 0.00 0.00 1.07 0.00 0.00 204 D 9.21 4.93 0.00 3.11 2.91 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 0.00 205 A 9.12 5.42 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 8.94 4.90 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 0.00 207 F 8.90 4.79 0.00 3.13 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 0.00 208 Q 7.65 4.68 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 209 Q 7.87 3.78 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 210 T 8.04 4.48 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 211 L 8.30 4.38 0.00 1.37 1.54 0.87 0.89 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 0.00 212 W 9.62 4.71 0.00 3.36 3.11 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 0.00 213 S 9.58 4.74 0.00 3.84 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 0.00 214 V 8.54 4.70 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 0.82 0.00 0.00 0.92 0.00 0.00 215 A 8.50 4.89 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 0.00 216 P 0.00 4.80 0.00 1.95 2.01 0.00 3.81 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 2.02 2.09 0.00 217 I 8.05 3.70 1.87 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 1.16 0.40 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.