NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6832 8.1627 120.6179 55.7606 34.3629 173.5109 2 H 5.2321 8.9164 123.2856 52.8370 33.1778 170.6367 3 L 5.0788 10.1165 127.3651 52.9721 45.2969 175.3222 4 K 4.9589 8.6328 122.3492 54.9257 34.0996 174.7119 5 I 4.6272 8.4091 126.9441 59.8846 39.1200 175.3460 6 V 4.4985 8.0739 127.2508 61.0439 32.2835 174.9899 7 C 4.5274 8.6144 126.0613 59.7838 28.7943 173.7925 8 L 4.7003 8.4896 121.2717 54.7674 42.4220 175.8864 9 S 4.6301 7.7219 115.8926 56.8097 66.5079 174.8196 10 D 4.5746 8.7299 123.4003 58.5636 39.5957 176.0400 11 E 4.2006 8.1154 118.9294 61.1110 29.4578 181.8031 12 V 3.9238 7.8771 119.0392 65.7366 31.7412 177.8784 13 R 4.1245 8.0667 120.5698 60.4945 29.6889 178.3022 *14 E 3.8903 8.3499 117.4649 61.9544 29.3797 180.6962 15 M 3.8380 7.6102 118.6973 58.6777 32.1855 178.2760 16 Y 4.4308 7.7018 113.6499 60.2935 38.4556 177.6931 17 K 4.2550 7.9656 118.3114 59.2492 32.4524 178.0716 18 N 4.7690 7.7357 114.3827 53.5413 38.9547 175.2401 19 H 4.3461 8.5772 121.4803 56.7489 29.8200 175.4869 *20 K 4.1431 8.9301 129.4319 57.8512 31.6964 175.2198 21 T 4.5555 7.8590 107.2173 61.5313 68.8940 174.7802 22 H 4.6567 8.3613 126.1608 55.7185 28.9832 173.2702 *23 H 5.0329 7.9258 123.9347 52.1204 31.7396 174.5350 *24 E 4.1301 8.7644 111.5735 60.4030 29.6499 175.2098 25 G 3.6150 8.2589 107.8832 49.4529 0.0000 174.3854 *26 D 4.7758 7.8822 119.1799 51.6873 41.3538 178.5966 27 S 4.6537 8.4420 111.3510 60.7679 63.4049 174.8246 28 G 4.1026 7.7513 106.9912 43.0623 0.0000 172.3557 29 L 4.5478 8.2499 126.9130 53.0141 43.3422 175.3027 30 D 4.6323 8.6127 126.6367 54.6926 41.4594 176.0482 31 L 4.6983 8.4353 122.4568 52.8829 44.2717 176.1259 32 F 4.8659 8.2737 122.3725 56.5617 40.1541 176.0360 33 I 3.9993 8.6582 124.1811 61.9250 38.0046 176.7795 34 V 4.4379 8.3477 124.3008 62.3247 32.8947 175.9865 *35 K 4.4087 7.6668 118.9917 55.1378 34.6690 179.4933 36 D 4.8231 8.9286 123.6233 55.0869 41.6023 175.5371 37 E 4.7581 8.8928 120.2444 55.3289 33.6978 173.6953 38 V 4.7393 8.3852 123.8310 61.0743 34.0580 174.5040 39 L 4.7929 8.4022 129.2846 53.1324 43.9872 176.8008 *40 K 4.2905 8.7552 128.0735 54.3088 32.2785 171.6423 41 P 4.2417 0.0000 0.0000 62.7093 31.6054 175.9782 42 K 3.8716 8.0085 118.9805 56.7574 29.9910 173.9704 43 S 4.6100 7.8036 111.8758 57.7108 67.5024 175.1561 44 T 4.7113 8.2976 114.8506 60.7481 69.3330 172.8162 45 T 4.4602 8.3696 126.2665 62.0579 70.7611 174.1110 46 F 4.6625 8.7077 125.0008 56.7993 40.1092 175.0547 47 V 4.4492 8.6181 124.3506 61.0179 33.8174 174.2329 48 K 4.8808 8.7797 127.2540 55.3232 31.8831 176.3897 49 L 4.3652 8.9267 123.7829 53.5336 43.3400 177.6713 50 G 4.0044 8.8462 108.0723 46.0822 0.0000 173.0506 51 I 5.1107 7.3716 112.1581 59.5299 41.8382 174.3141 52 K 5.2441 8.5864 124.9376 53.5382 36.4634 175.6216 53 A 5.1691 7.9357 118.8496 53.6386 21.7034 176.6217 54 I 4.8957 8.0008 119.8105 58.6133 40.1949 173.2205 55 A 5.1161 8.5848 125.3809 49.8798 22.4015 175.2059 56 L 5.3416 8.9551 121.8076 53.8818 46.0494 176.4774 *57 Q 4.9123 8.9952 124.1444 54.2625 33.4297 172.8175 *58 Y 4.2291 8.7164 121.1303 59.2745 37.1531 177.9191 *59 K 4.3373 8.1485 127.9762 54.3763 32.5702 172.9140 60 S 4.8337 8.5027 116.8508 55.6408 66.2853 173.0363 61 N 4.6011 8.5307 118.0926 52.9272 39.0033 174.5128 62 Y 4.9977 7.5838 119.0455 55.2310 41.3763 173.8044 63 Y 4.7558 8.7563 122.0464 57.0718 39.8809 174.2158 64 Y 4.1629 7.7260 128.8257 56.6565 42.0986 175.0830 *65 K 4.1330 8.5970 126.6307 55.0094 32.4319 174.4637 *80 N 4.7902 8.1276 116.3180 51.9069 39.4370 173.7753 81 I 4.9468 8.1616 122.2392 60.3177 39.8949 175.6049 *82 V 4.4178 8.3174 128.7824 60.2577 33.9473 172.6492 83 N 5.1105 8.6318 121.5873 53.7804 38.4432 174.1798 84 T 4.7744 8.5508 111.4411 61.5960 70.8749 173.7031 85 S 4.8686 8.8398 122.1789 59.2952 64.5029 173.4200 86 F 5.2877 8.8514 116.4832 56.0319 41.7835 172.6350 87 L 5.0533 9.1280 117.3912 53.0463 45.8374 176.0023 88 L 5.0759 8.7148 125.2989 53.8775 43.3726 175.4208 89 F 4.9175 9.2639 126.0834 55.4979 41.2758 174.2250 90 P 4.8853 0.0000 0.0000 62.7074 32.3598 176.3502 91 R 4.3659 8.5457 120.5092 55.5516 31.3768 177.9729 92 S 4.1518 8.9605 117.7736 62.2038 62.7392 177.3246 93 S 4.1978 8.0192 115.6824 60.7118 62.9943 175.8330 94 I 3.7013 7.6163 122.7672 63.8388 37.3331 177.3020 95 S 4.3592 7.6059 113.6652 59.9996 63.1025 174.3912 96 K 4.4439 7.5826 121.6756 56.6300 31.8692 176.2835 97 T 4.5867 7.4039 107.6411 59.7421 71.9770 171.2827 98 P 4.6190 0.0000 0.0000 62.7886 32.5885 174.8586 99 L 4.8287 7.4092 120.8602 54.5931 42.5697 176.5198 100 R 4.6394 8.6425 121.2317 54.0887 35.0437 174.2192 101 L 4.5646 8.3550 123.9849 54.4546 42.5875 177.0616 102 A 4.0397 8.6454 130.8868 55.3199 18.3915 177.7728 103 N 4.6408 7.9987 110.0301 52.6585 37.2668 174.8878 104 S 3.9724 7.7651 117.5973 59.2699 61.9876 171.1632 105 I 4.4674 7.0758 119.0507 59.2924 40.5481 174.9517 106 G 3.6845 8.8152 115.2828 46.0091 0.0000 171.8424 107 L 4.9283 8.3242 125.3110 52.9416 44.4523 175.2867 108 I 4.3424 8.3685 127.4714 59.2897 39.7539 175.3445 109 D 5.0676 8.7399 125.4561 51.2531 40.8777 177.0228 110 A 4.0643 8.7723 123.2715 55.4007 18.3449 178.7596 111 G 4.0588 8.0149 102.1308 45.6556 0.0000 172.7806 112 Y 4.5441 7.6411 121.3172 57.4054 39.2609 175.9785 113 R 4.4591 7.6690 124.1464 56.1062 32.0617 174.9725 114 G 3.6759 5.7900 108.2429 43.2676 0.0000 172.9886 115 E 4.3390 8.3840 119.9370 55.5698 30.3859 176.5676 116 I 4.0856 8.8060 127.6393 61.8407 37.9514 175.1250 117 I 5.0502 8.5754 127.0491 59.3264 40.8859 175.1478 118 A 4.6058 9.1131 126.9001 49.9526 21.4910 175.7320 119 A 3.9907 8.6743 124.7896 52.6142 19.2732 175.5612 120 L 5.0349 8.4092 122.0482 53.8553 44.3617 176.0037 121 D 4.9512 9.0762 124.8955 53.8252 42.7066 174.8759 122 N 5.1187 9.5480 123.3780 52.5588 40.2730 174.9742 123 T 4.4704 8.4456 115.7132 61.5529 69.9155 174.6395 124 S 4.4034 8.5646 120.6258 58.3887 63.9643 174.2009 125 D 4.7043 8.4663 123.1966 53.5081 40.0094 175.7286 126 Q 4.7732 7.9010 117.7757 54.8734 33.3670 174.8288 127 E 4.4291 8.7552 119.7496 57.0855 30.7977 176.2145 128 Y 4.5880 8.3704 122.3671 56.3750 42.2563 173.5839 129 H 5.0838 8.3893 124.4659 54.7759 30.0702 174.5362 130 I 4.3943 8.6512 118.2788 59.6097 39.5068 175.3214 131 K 4.7560 9.1870 128.1843 55.1664 34.2455 177.2522 132 K 4.1620 8.2562 124.6068 56.1016 32.0619 178.4882 133 N 4.5833 8.6714 117.5613 53.1766 37.5267 174.8262 134 D 4.5661 7.6877 118.3566 54.5527 41.4147 176.1098 135 K 4.8348 8.3242 119.4943 55.2284 33.9587 176.0543 136 L 4.7280 8.1453 122.5564 54.3857 43.7136 176.2341 137 V 4.9915 7.4013 117.7126 62.0506 34.7540 171.8961 138 Q 4.9951 9.1580 123.4817 54.8639 32.8047 173.1232 139 L 5.1249 8.5175 120.9566 53.5246 43.7400 176.1443 140 V 4.6972 9.0951 122.2737 60.0288 35.4776 174.4237 141 S 4.9228 8.3830 115.8775 57.1935 63.6483 175.0771 142 F 4.2867 9.1817 123.5763 60.5061 38.8443 176.7198 143 T 4.1223 8.1277 109.0123 61.8105 69.2024 175.7354 144 G 3.8599 8.0406 109.8786 45.7146 0.0000 173.6585 145 E 4.2327 7.6283 117.3781 54.7390 30.3992 175.0621 146 P 4.9421 0.0000 0.0000 62.3395 32.0166 175.7160 147 L 5.1847 8.2984 119.6142 53.0792 44.1074 176.1774 148 S 5.0351 8.8772 118.1301 56.7015 65.8719 172.8301 149 F 5.6470 8.2154 115.1242 54.4854 41.7130 173.3955 150 E 4.5909 8.6011 117.8655 55.1571 32.8377 173.4823 151 L 5.0572 8.5631 126.8709 54.0802 42.8526 175.9724 152 V 4.6055 8.5577 123.8777 62.4567 35.3900 175.5429 153 E 4.6507 8.8682 120.1316 56.2999 31.7746 177.4449 *154 E 4.4006 7.9075 118.1533 57.3799 30.5289 180.4323 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 M 8.16 4.68 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 2 H 8.92 5.23 0.00 3.23 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 10.12 5.08 0.00 1.70 1.45 0.77 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.63 4.96 0.00 1.81 1.74 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.25 7.81 5 I 8.41 4.63 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.16 0.58 0.00 0.00 6 V 8.07 4.50 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 1.23 0.00 0.00 0.92 0.00 0.00 7 C 8.61 4.53 0.00 2.90 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 8 L 8.49 4.70 0.00 1.55 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.72 4.63 0.00 3.95 3.95 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 10 D 8.73 4.57 0.00 2.70 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 11 E 8.12 4.20 0.00 1.97 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 2.32 1.94 0.00 12 V 7.88 3.92 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 1.17 0.00 0.00 1.01 0.00 0.00 13 R 8.07 4.12 0.00 2.15 2.15 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 *14 E 8.35 3.89 0.00 2.01 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 2.26 2.27 0.00 15 M 7.61 3.84 0.00 1.43 2.40 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 2.34 1.95 0.00 16 Y 7.70 4.43 0.00 3.12 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 17 K 7.97 4.25 0.00 1.83 1.95 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.59 7.81 18 N 7.74 4.77 0.00 2.65 2.83 0.00 0.00 7.06 9.22 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 19 H 8.58 4.35 0.00 3.49 3.58 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.93 4.14 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 21 T 7.86 4.56 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 1.23 0.00 0.00 22 H 8.36 4.66 0.00 2.97 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 H 7.93 5.03 0.00 2.83 2.91 0.00 7.25 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 *24 E 8.76 4.13 0.00 1.98 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 1.89 0.00 25 G 8.26 3.62 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 0.00 0.00 0.00 *26 D 7.88 4.78 0.00 2.63 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 27 S 8.44 4.65 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.75 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 29 L 8.25 4.55 0.00 1.64 1.43 0.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.61 4.63 0.00 2.40 2.30 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 31 L 8.44 4.70 0.00 1.49 1.65 0.99 1.08 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 32 F 8.27 4.87 0.00 2.87 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 33 I 8.66 4.00 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.50 0.99 0.00 0.00 34 V 8.35 4.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.19 0.00 0.00 *35 K 7.67 4.41 0.00 1.53 1.50 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.10 0.86 7.81 36 D 8.93 4.82 0.00 2.54 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 37 E 8.89 4.76 0.00 2.08 1.77 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 2.24 2.28 0.00 38 V 8.39 4.74 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 0.81 0.00 0.00 1.00 0.00 0.00 39 L 8.40 4.79 0.00 1.69 1.54 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.76 4.29 0.00 1.54 1.60 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 41 P 0.00 4.24 0.00 2.06 2.21 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 42 K 8.01 3.87 0.00 2.16 1.85 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.23 7.81 43 S 7.80 4.61 0.00 3.87 4.04 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 44 T 8.30 4.71 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 1.16 0.00 0.00 45 T 8.37 4.46 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 1.23 0.00 0.00 46 F 8.71 4.66 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.62 4.45 2.22 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 1.06 0.00 0.00 1.00 0.00 0.00 48 K 8.78 4.88 0.00 2.04 1.90 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.02 7.81 49 L 8.93 4.37 0.00 1.85 1.80 0.99 1.25 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 50 G 8.85 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 51 I 7.37 5.11 1.69 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 1.09 0.69 0.63 0.00 0.00 52 K 8.59 5.24 0.00 1.41 1.66 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.23 7.81 53 A 7.94 5.17 1.22 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 0.00 0.00 0.00 54 I 8.00 4.90 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 1.28 0.84 0.91 0.00 0.00 55 A 8.58 5.12 0.94 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 56 L 8.96 5.34 0.00 1.56 1.63 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *57 Q 9.00 4.91 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 *58 Y 8.72 4.23 0.00 2.09 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 0.00 0.00 0.00 0.00 *59 K 8.15 4.34 0.00 1.52 1.63 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 60 S 8.50 4.83 0.00 3.99 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 61 N 8.53 4.60 0.00 2.72 2.78 0.00 0.00 6.63 7.46 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 62 Y 7.58 5.00 0.00 3.03 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 63 Y 8.76 4.76 0.00 2.94 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 64 Y 7.73 4.16 0.00 3.01 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 *65 K 8.60 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *80 N 8.13 4.79 0.00 2.62 2.75 0.00 0.00 6.75 7.59 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 81 I 8.16 4.95 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 1.21 1.10 0.91 0.00 0.00 *82 V 8.32 4.42 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 0.70 0.00 0.00 0.93 0.00 0.00 83 N 8.63 5.11 0.00 2.50 2.65 0.00 0.00 6.44 7.71 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 84 T 8.55 4.77 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 1.38 0.00 0.00 85 S 8.84 4.87 0.00 3.95 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 86 F 8.85 5.29 0.00 3.24 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 87 L 9.13 5.05 0.00 1.70 1.65 0.40 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.71 5.08 0.00 1.74 1.52 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.26 4.92 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 90 P 0.00 4.89 0.00 1.94 1.96 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 91 R 8.55 4.37 0.00 1.79 1.83 0.00 3.10 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 92 S 8.96 4.15 0.00 3.86 3.95 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 93 S 8.02 4.20 0.00 4.06 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 94 I 7.62 3.70 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.28 0.95 0.00 0.00 95 S 7.61 4.36 0.00 4.01 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 96 K 7.58 4.44 0.00 2.15 1.89 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.24 7.81 97 T 7.40 4.59 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 0.00 0.00 1.27 0.00 0.00 98 P 0.00 4.62 0.00 2.00 2.20 0.00 2.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 99 L 7.41 4.83 0.00 1.40 1.51 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.64 4.64 0.00 1.61 1.69 0.00 3.22 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 101 L 8.36 4.56 0.00 1.71 1.47 0.89 1.01 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 0.00 102 A 8.65 4.04 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 0.00 103 N 8.00 4.64 0.00 2.79 2.88 0.00 0.00 6.06 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 0.00 104 S 7.77 3.97 0.00 3.97 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 0.00 105 I 7.08 4.47 1.62 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.35 0.54 0.00 0.00 106 G 8.82 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.32 4.93 0.00 1.59 1.49 1.18 1.03 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 0.00 108 I 8.37 4.34 0.57 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.21 0.58 0.00 0.00 109 D 8.74 5.07 0.00 2.87 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 0.00 110 A 8.77 4.06 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 0.00 111 G 8.01 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 0.00 0.00 0.00 112 Y 7.64 4.54 0.00 2.95 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 0.00 113 R 7.67 4.46 0.00 1.64 1.75 0.00 3.38 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 114 G 5.79 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 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.38 4.34 0.00 1.96 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 2.36 2.54 0.00 116 I 8.81 4.09 1.97 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 1.00 0.00 0.00 117 I 8.58 5.05 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 1.14 0.00 0.00 118 A 9.11 4.61 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 0.00 119 A 8.67 3.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.41 5.03 0.00 1.52 1.50 0.92 0.82 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 0.00 121 D 9.08 4.95 0.00 2.50 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 0.00 0.00 0.00 0.00 122 N 9.55 5.12 0.00 2.76 2.64 0.00 0.00 6.54 6.38 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 0.00 123 T 8.45 4.47 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 1.17 0.00 0.00 124 S 8.56 4.40 0.00 3.95 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 0.00 125 D 8.47 4.70 0.00 2.74 2.52 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 0.00 126 Q 7.90 4.77 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 127 E 8.76 4.43 0.00 1.82 1.77 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 2.29 2.31 0.00 128 Y 8.37 4.59 0.00 2.95 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 0.00 129 H 8.39 5.08 0.00 2.90 3.14 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.65 4.39 1.97 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 1.30 0.72 1.13 0.00 0.00 131 K 9.19 4.76 0.00 1.97 1.75 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 132 K 8.26 4.16 0.00 1.73 1.60 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.29 7.81 133 N 8.67 4.58 0.00 2.89 2.97 0.00 0.00 6.99 7.51 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 0.00 134 D 7.69 4.57 0.00 2.91 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 0.00 135 K 8.32 4.83 0.00 1.64 1.65 0.00 0.95 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 1.29 7.81 136 L 8.15 4.73 0.00 1.59 1.66 0.97 0.81 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 0.00 137 V 7.40 4.99 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 1.03 0.00 0.00 0.99 0.00 0.00 138 Q 9.16 5.00 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 139 L 8.52 5.12 0.00 1.68 1.62 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 140 V 9.10 4.70 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 0.22 0.00 0.00 0.46 0.00 0.00 141 S 8.38 4.92 0.00 3.95 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 0.00 142 F 9.18 4.29 0.00 3.10 3.07 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 0.00 143 T 8.13 4.12 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 1.31 0.00 0.00 144 G 8.04 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 0.00 0.00 0.00 145 E 7.63 4.23 0.00 2.07 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 2.33 2.34 0.00 146 P 0.00 4.94 0.00 2.07 2.21 0.00 3.67 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 147 L 8.30 5.18 0.00 1.52 1.53 0.91 0.82 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 0.00 148 S 8.88 5.04 0.00 3.74 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 0.00 149 F 8.22 5.65 0.00 2.98 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 0.00 150 E 8.60 4.59 0.00 2.10 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 2.34 2.37 0.00 151 L 8.56 5.06 0.00 1.62 1.63 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.56 4.61 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 0.96 0.00 0.00 0.97 0.00 0.00 153 E 8.87 4.65 0.00 1.99 1.78 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 2.11 1.82 0.00 *154 E 7.91 4.40 0.00 1.94 1.67 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.