NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9537 8.0544 120.3876 62.5240 32.5421 174.6221 2 H 4.1059 8.7507 126.3212 56.1592 28.3581 171.8165 3 L 4.6198 8.5941 125.5843 52.6176 44.7047 177.1403 4 T 4.0738 8.2056 119.2349 62.7253 70.4509 174.4246 5 P 3.8891 0.0000 0.0000 65.5976 31.3067 178.8258 6 E 4.0788 8.0693 115.9068 58.8288 29.7778 178.9819 7 E 3.8501 7.8677 119.3501 59.3999 29.8719 178.7400 8 K 3.7470 8.8313 119.6518 59.7767 32.0374 179.2418 9 S 4.0467 7.8458 112.3616 61.2804 62.2023 175.8381 10 A 4.0322 8.2107 123.8550 55.2153 18.0345 179.8975 11 V 3.3074 7.7289 116.4672 66.3179 31.6352 178.3873 12 T 3.9317 7.7075 114.6998 66.6545 68.1265 176.1997 13 A 4.0363 8.1367 121.5844 55.4708 18.6076 179.2011 14 L 3.9342 7.8412 118.4833 57.8384 42.1694 178.8206 15 W 4.4520 8.7796 128.6875 60.4250 30.4446 177.9169 16 G 4.1445 8.1721 104.9181 46.9591 0.0000 173.9967 17 K 4.4874 7.8713 118.0492 55.9106 32.7748 176.4540 18 V 3.6312 7.7826 120.4845 62.3443 31.9912 175.8222 19 N 4.4875 8.2557 125.2355 52.3286 39.0870 175.6628 20 V 3.4350 8.0352 128.4285 65.9903 31.6501 177.1080 21 D 4.3375 8.1011 118.0149 57.6043 40.7081 178.4778 22 E 3.8415 8.2290 118.5480 59.5182 29.4658 179.4943 23 V 3.4909 7.8009 118.2216 65.9902 31.6135 178.3420 24 G 3.6586 8.4239 105.7674 47.8278 0.0000 175.9890 25 G 3.5820 7.8389 108.3443 47.2681 0.0000 175.4968 26 E 3.8529 8.3384 121.5658 58.8067 29.6780 178.7205 27 A 3.8997 8.1293 121.0372 55.1252 18.6338 179.3866 28 L 3.9628 7.8126 118.5972 58.2724 42.2959 179.3021 29 G 3.6239 8.1844 105.7367 47.9993 0.0000 175.8681 30 R 3.9390 8.0523 120.2756 58.6020 30.0571 178.7383 31 L 4.0347 7.9511 120.4058 58.3102 41.7119 179.1143 32 L 4.1232 7.8133 119.5964 56.4542 41.2721 179.4564 33 V 3.6590 7.1426 117.1551 65.5419 31.8306 177.9775 34 V 3.5361 7.7560 117.0518 64.3153 32.7526 175.5317 35 Y 3.9672 7.1625 116.0662 54.0404 37.9642 173.9431 36 P 4.5188 0.0000 0.0000 64.2852 31.8055 177.7584 37 W 4.3909 8.1255 115.3046 59.4072 28.1705 178.1588 38 T 4.1649 7.6909 110.7275 64.5089 68.1530 176.0593 39 Q 4.4040 8.2718 121.1944 58.1984 28.4271 178.5528 40 R 3.8215 7.6517 116.7807 58.7950 29.2857 178.0364 41 F 4.3683 7.5087 116.0920 57.6797 39.5491 176.0096 42 F 4.6039 7.6355 118.1763 56.5207 40.0049 177.4370 43 E 4.0191 8.5498 122.8045 59.7467 29.3652 179.5904 44 S 4.5303 8.0241 110.6651 60.1029 63.3407 175.0775 45 F 4.4979 8.3611 120.0976 58.9413 39.6156 174.8536 46 G 3.9391 7.2065 105.2193 44.0849 0.0000 173.0607 47 D 4.5440 8.6640 123.5257 54.4829 41.7529 176.8126 48 L 4.8581 8.2904 125.1664 54.6641 43.6700 177.5500 49 S 4.2666 8.6124 117.2117 60.6275 63.2350 174.6787 50 T 4.7262 7.4240 109.6048 58.3241 72.9564 172.8412 51 P 4.2166 0.0000 0.0000 65.8543 31.3196 178.7783 52 D 4.2901 8.0353 116.8961 57.1699 40.8475 178.2930 53 A 3.9497 8.0843 121.3280 55.2465 18.1761 179.6976 54 V 3.5204 7.5730 115.0085 66.6698 31.7374 178.0236 55 M 4.2830 8.4735 116.6748 57.2109 31.8775 177.9161 56 G 4.0803 7.6527 104.1171 43.7812 0.0000 173.1528 57 N 4.3805 7.7944 120.9871 52.8565 39.0639 173.7287 58 P 4.3004 0.0000 0.0000 65.6674 31.2660 178.4208 59 K 3.8028 7.9722 118.0727 58.7832 31.8945 179.2858 60 V 3.6885 7.9086 118.8717 65.8261 31.5492 178.2360 61 K 3.9066 7.9557 117.9587 59.5361 31.4505 179.2823 62 A 4.0063 7.9632 121.0171 55.3592 18.2825 179.1911 63 H 4.3987 8.6220 117.1520 59.0265 29.9319 177.6763 64 G 3.6448 8.4263 108.3121 47.7823 0.0000 175.6047 65 K 4.0242 8.0154 122.0110 58.8707 32.2424 178.8809 66 K 4.0229 7.7237 119.5049 59.1496 32.1816 178.9372 67 V 3.6260 7.7923 118.5376 66.2548 31.5213 178.1583 68 L 4.3653 8.1808 118.5378 57.3465 41.4756 179.7860 69 G 3.7183 8.1104 105.6385 47.9630 0.0000 175.5284 70 A 4.1997 7.8500 122.3040 54.6183 18.6314 179.2685 71 F 4.2398 8.5115 119.0530 61.6975 39.6859 177.1946 72 S 4.1071 8.8848 115.2434 62.1931 62.8324 176.7078 73 D 4.5111 8.2242 120.8919 57.3725 40.5214 179.1602 74 G 3.4099 8.0786 106.1973 47.5924 0.0000 175.6812 75 L 3.8813 7.2412 119.4101 56.8602 41.6678 178.5185 76 A 4.2618 7.5390 118.7888 53.2257 18.3135 177.2060 77 H 4.8125 7.7370 114.8819 54.9971 29.9233 175.7569 78 L 4.0425 8.1781 121.9097 57.8478 41.4318 178.1559 79 D 4.5492 7.8831 115.6840 55.2624 42.0754 175.7552 80 N 5.0011 9.2165 118.6854 51.3043 39.4841 174.9700 81 L 3.9197 7.8808 122.5963 57.9051 42.0519 179.2993 82 K 4.0000 8.0760 116.8711 59.7169 32.2870 179.1173 83 G 3.6818 8.1263 105.1795 47.9831 0.0000 175.6926 84 T 3.7379 7.5021 116.9654 65.5551 68.5722 175.8094 85 F 4.9555 7.5868 116.6712 57.0828 39.2929 177.3799 86 A 4.0540 7.5757 122.2454 55.8043 18.1414 180.7849 87 T 4.6437 7.8270 108.7786 64.1018 68.9682 176.4649 88 L 4.0511 7.9709 123.0607 57.7457 41.9824 178.6536 89 S 4.2671 8.4370 112.9609 61.4626 62.5125 175.3644 90 E 4.0383 8.4116 121.6313 59.4629 29.3470 179.2703 91 L 4.0059 8.1331 120.0305 58.5019 42.1262 179.3010 92 H 4.0861 8.3416 112.2152 57.1455 28.1140 176.8050 *94 D 4.4666 7.9845 122.6463 53.8715 42.7124 176.7219 95 K 4.2139 7.3245 117.9478 57.8986 32.9539 177.7747 96 L 4.1021 7.6125 116.6439 55.0147 42.5431 176.2685 97 H 4.0501 7.7337 114.3555 56.6674 25.8334 174.8987 98 V 3.8548 7.9188 117.8125 60.7925 33.0292 174.6371 99 D 4.3473 8.5046 127.2129 53.4000 41.6958 175.0328 100 P 3.0802 0.0000 0.0000 64.8158 31.6034 177.8781 101 E 4.0336 8.2024 118.9059 59.5172 29.2221 178.6503 102 N 4.3019 8.1450 116.4037 55.7765 38.4783 177.2717 103 F 4.5688 7.9981 120.0282 60.3888 38.9096 177.9168 104 R 4.0168 7.8169 117.9793 59.0329 29.8841 178.8800 105 L 3.8558 7.7826 118.3252 57.8261 41.6920 179.2619 106 L 4.1217 8.0514 120.3267 57.8411 42.0718 179.0936 107 G 3.7121 8.2526 105.8325 48.0888 0.0000 175.4670 108 N 4.4588 8.3572 119.4102 55.7656 38.5800 177.7072 109 V 3.6211 8.0438 119.7666 65.9983 31.7030 177.6087 110 L 3.8697 8.4092 120.4028 58.3593 41.7742 179.2569 111 V 3.5716 7.7947 117.7866 66.2097 31.4512 177.8953 112 C 4.1592 7.9964 116.0588 62.4734 27.7953 176.3274 113 V 3.4865 7.6363 119.9313 66.0466 31.1062 178.0385 114 L 3.7951 7.5553 118.3027 57.6863 41.4104 179.4840 115 A 3.6171 7.2323 120.6308 55.2152 18.0621 179.1737 116 H 3.9946 7.9468 115.9382 59.5047 29.9560 177.0295 117 H 4.1255 8.1745 117.3360 58.4225 29.0525 177.0627 118 F 4.7338 8.5698 117.7955 54.9814 39.4956 178.8355 119 G 3.9197 8.6717 108.4998 46.3201 0.0000 177.4443 120 K 4.0815 9.1882 124.1470 58.7494 32.1536 177.3705 121 E 4.1453 8.1588 118.6961 57.9150 30.1301 176.9290 122 F 4.5650 7.9277 123.1964 57.1894 37.9338 175.3082 123 T 4.2092 7.3182 115.5418 60.1906 71.3796 173.6355 124 P 4.1438 0.0000 0.0000 65.5526 31.4653 177.1752 125 P 4.2473 0.0000 0.0000 65.4527 31.2328 178.9084 126 V 3.5304 7.2766 116.6460 65.7631 31.3489 177.6867 127 Q 3.5459 8.0662 119.3543 59.1176 28.5517 177.9596 128 A 3.9779 8.2484 121.8313 55.4699 18.4668 179.4772 129 A 3.9080 7.8653 118.5571 55.6506 18.4939 179.5370 130 Y 4.0701 8.2683 114.8920 60.8991 38.0117 178.5413 131 Q 4.1654 8.6111 119.9117 58.7794 28.7051 178.8101 132 K 4.0066 7.8748 119.4099 59.2370 32.0919 179.4210 133 V 3.4925 7.6065 118.1329 66.1673 31.3617 178.2494 134 V 3.8010 8.1036 117.5900 66.0484 31.2950 177.8345 135 A 4.1254 8.1465 120.4764 54.9735 18.1211 179.9015 136 G 3.4943 8.3238 104.4640 47.9230 0.0000 176.1778 137 V 3.4820 8.2462 121.1760 65.5281 31.3949 177.9330 138 A 3.8618 8.2896 120.8723 55.3108 18.0052 179.4193 139 N 4.3280 8.3549 114.1399 56.3179 39.0001 177.2829 140 A 4.1670 8.2722 122.4992 55.0981 18.3053 179.6861 141 L 3.8433 7.8691 116.3658 57.0835 41.8951 178.6657 142 A 4.4335 7.7015 119.5247 52.9057 18.7834 178.5374 143 H 4.1567 7.9117 117.0542 59.2174 29.9795 176.1139 144 K 4.4783 8.0557 116.1542 56.5497 31.7957 176.2457 145 Y 3.9967 7.9540 117.9703 57.9967 38.3997 175.5959 146 H 4.4970 8.3135 118.7682 55.9529 28.6222 173.0719 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 V 8.05 3.95 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 0.95 0.00 0.00 0.90 0.00 0.00 2 H 8.75 4.11 0.00 3.19 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.59 4.62 0.00 1.58 1.47 0.82 0.85 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 4 T 8.21 4.07 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 1.20 0.00 0.00 5 P 0.00 3.89 0.00 2.13 2.08 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 6 E 8.07 4.08 0.00 2.13 2.18 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 2.32 2.31 0.00 7 E 7.87 3.85 0.00 2.21 1.94 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 2.34 2.34 0.00 8 K 8.83 3.75 0.00 1.78 1.83 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.58 7.81 9 S 7.85 4.05 0.00 3.97 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 10 A 8.21 4.03 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 11 V 7.73 3.31 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 0.61 0.00 0.00 0.42 0.00 0.00 12 T 7.71 3.93 4.38 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 1.26 0.00 0.00 13 A 8.14 4.04 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 14 L 7.84 3.93 0.00 1.81 1.92 0.48 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.78 4.45 0.00 3.80 3.24 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 16 G 8.17 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.87 4.49 0.00 1.96 2.02 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 18 V 7.78 3.63 1.06 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 0.14 0.00 0.00 0.77 0.00 0.00 19 N 8.26 4.49 0.00 2.68 2.55 0.00 0.00 6.84 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 20 V 8.04 3.43 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 1.16 0.00 0.00 0.84 0.00 0.00 21 D 8.10 4.34 0.00 2.85 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 22 E 8.23 3.84 0.00 1.91 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 0.00 2.27 2.40 0.00 23 V 7.80 3.49 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 0.98 0.00 0.00 0.58 0.00 0.00 24 G 8.42 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.84 3.58 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 0.00 0.00 0.00 26 E 8.34 3.85 0.00 1.99 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 0.00 2.22 2.24 0.00 27 A 8.13 3.90 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 28 L 7.81 3.96 0.00 1.78 1.62 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.18 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 30 R 8.05 3.94 0.00 2.03 1.91 0.00 3.08 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 L 7.95 4.03 0.00 1.81 1.87 1.01 0.62 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 32 L 7.81 4.12 0.00 1.85 1.68 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.14 3.66 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 0.72 0.00 0.00 0.92 0.00 0.00 34 V 7.76 3.54 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 0.15 0.00 0.00 0.76 0.00 0.00 35 Y 7.16 3.97 0.00 2.61 1.43 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 36 P 0.00 4.52 0.00 2.28 2.14 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 37 W 8.13 4.39 0.00 3.54 3.45 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 38 T 7.69 4.16 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 1.11 0.00 0.00 39 Q 8.27 4.40 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.65 3.82 0.00 1.69 1.96 0.00 2.94 0.00 0.00 2.59 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.51 4.37 0.00 2.23 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.60 0.00 2.91 2.25 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 43 E 8.55 4.02 0.00 1.99 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 2.50 2.24 0.00 44 S 8.02 4.53 0.00 4.20 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 45 F 8.36 4.50 0.00 3.18 3.15 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 46 G 7.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.66 4.54 0.00 2.65 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 48 L 8.29 4.86 0.00 1.64 1.60 1.05 0.99 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 49 S 8.61 4.27 0.00 4.00 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 50 T 7.42 4.73 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 1.21 0.00 0.00 51 P 0.00 4.22 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.04 4.29 0.00 2.67 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 53 A 8.08 3.95 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 54 V 7.57 3.52 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 55 M 8.47 4.28 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 56 G 7.65 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 57 N 7.79 4.38 0.00 2.91 2.87 0.00 0.00 6.79 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 58 P 0.00 4.30 0.00 2.24 2.25 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 7.97 3.80 0.00 1.57 0.74 0.00 1.42 0.00 0.00 1.24 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.28 7.81 60 V 7.91 3.69 2.26 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 1.06 0.00 0.00 1.09 0.00 0.00 61 K 7.96 3.91 0.00 1.99 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.42 7.81 62 A 7.96 4.01 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 63 H 8.62 4.40 0.00 3.53 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.43 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 0.00 0.00 0.00 65 K 8.02 4.02 0.00 1.87 1.99 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 66 K 7.72 4.02 0.00 1.93 1.94 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 67 V 7.79 3.63 2.23 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 1.02 0.00 0.00 0.94 0.00 0.00 68 L 8.18 4.37 0.00 2.04 1.89 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.11 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 70 A 7.85 4.20 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 71 F 8.51 4.24 0.00 3.25 3.32 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 72 S 8.88 4.11 0.00 4.30 4.20 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 73 D 8.22 4.51 0.00 2.84 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 74 G 8.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.24 3.88 0.00 1.56 1.52 0.03 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.54 4.26 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 77 H 7.74 4.81 0.00 3.04 3.12 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.18 4.04 0.00 1.54 1.66 0.83 0.93 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 79 D 7.88 4.55 0.00 2.62 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 80 N 9.22 5.00 0.00 2.70 2.60 0.00 0.00 7.08 6.54 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 81 L 7.88 3.92 0.00 1.71 1.76 0.89 0.63 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 82 K 8.08 4.00 0.00 1.64 1.83 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.10 1.44 7.81 83 G 8.13 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 84 T 7.50 3.74 3.75 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 0.40 0.00 0.00 85 F 7.59 4.96 0.00 3.03 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 86 A 7.58 4.05 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 T 7.83 4.64 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 1.22 0.00 0.00 88 L 7.97 4.05 0.00 1.99 1.83 1.03 1.12 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 89 S 8.44 4.27 0.00 4.06 4.16 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 90 E 8.41 4.04 0.00 2.20 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 91 L 8.13 4.01 0.00 1.76 1.85 0.90 1.29 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 92 H 8.34 4.09 0.00 3.57 3.66 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 D 7.98 4.47 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.32 4.21 0.00 1.84 1.80 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 96 L 7.61 4.10 0.00 1.76 1.64 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.73 4.05 0.00 3.40 3.40 0.00 5.68 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 3.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.40 0.00 0.00 99 D 8.50 4.35 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 0.00 100 P 0.00 3.08 0.00 1.92 1.80 0.00 3.36 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.49 0.00 101 E 8.20 4.03 0.00 2.06 1.90 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 2.29 2.39 0.00 102 N 8.15 4.30 0.00 2.45 2.68 0.00 0.00 6.91 7.83 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 0.00 103 F 8.00 4.57 0.00 3.04 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 0.00 104 R 7.82 4.02 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 105 L 7.78 3.86 0.00 1.74 1.44 0.60 0.03 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 0.00 106 L 8.05 4.12 0.00 1.85 1.75 0.95 1.14 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 0.00 107 G 8.25 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.36 4.46 0.00 2.83 2.96 0.00 0.00 6.72 7.28 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 0.00 109 V 8.04 3.62 2.24 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 1.02 0.00 0.00 1.21 0.00 0.00 110 L 8.41 3.87 0.00 1.73 1.82 0.83 0.33 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 0.00 111 V 7.79 3.57 2.32 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 1.25 0.00 0.00 1.16 0.00 0.00 112 C 8.00 4.16 0.00 3.02 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 0.00 113 V 7.64 3.49 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 0.99 0.00 0.00 0.89 0.00 0.00 114 L 7.56 3.80 0.00 1.14 1.34 0.71 1.04 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 0.00 115 A 7.23 3.62 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.95 3.99 0.00 3.22 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.17 4.13 0.00 2.71 2.60 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.57 4.73 0.00 3.23 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 0.00 119 G 8.67 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 0.00 120 K 9.19 4.08 0.00 1.81 1.93 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 121 E 8.16 4.15 0.00 2.12 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 0.00 2.32 2.28 0.00 122 F 7.93 4.57 0.00 3.08 3.15 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 0.00 123 T 7.32 4.21 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 1.31 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.14 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 P 0.00 4.25 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 126 V 7.28 3.53 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 0.94 0.00 0.00 0.90 0.00 0.00 127 Q 8.07 3.55 0.00 1.65 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 128 A 8.25 3.98 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 0.00 129 A 7.87 3.91 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 0.00 130 Y 8.27 4.07 0.00 3.20 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 0.00 131 Q 8.61 4.17 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 132 K 7.87 4.01 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 133 V 7.61 3.49 2.23 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 0.86 0.00 0.00 0.78 0.00 0.00 134 V 8.10 3.80 2.35 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 1.12 0.00 0.00 1.16 0.00 0.00 135 A 8.15 4.13 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 0.00 136 G 8.32 3.49 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 0.00 137 V 8.25 3.48 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 0.75 0.00 0.00 0.68 0.00 0.00 138 A 8.29 3.86 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 0.00 139 N 8.35 4.33 0.00 2.87 2.91 0.00 0.00 7.04 7.06 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 0.00 140 A 8.27 4.17 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 0.00 141 L 7.87 3.84 0.00 0.87 0.52 -0.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.70 4.43 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 0.00 143 H 7.91 4.16 0.00 3.27 3.44 0.00 5.77 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 0.00 144 K 8.06 4.48 0.00 1.82 1.82 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.72 7.81 145 Y 7.95 4.00 0.00 3.20 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 0.00 146 H 8.31 4.50 0.00 3.18 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.