NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.3049 120.3415 54.7959 34.2162 175.5122 2 L 4.1154 7.6656 118.3388 54.3866 42.7259 175.6973 3 R 4.3361 8.4256 121.6595 54.9572 33.5250 176.0957 4 P 4.1602 0.0000 0.0000 66.0591 31.4798 178.5800 5 K 3.9505 8.1283 118.6120 58.7664 32.1852 179.0818 6 A 4.0363 7.9847 120.4999 54.8774 18.2034 179.3517 7 L 3.9195 8.1069 118.9712 58.6795 42.2217 179.0967 8 T 3.8517 7.7366 115.2528 67.0478 68.3871 176.5426 9 Q 4.1856 7.8762 120.9643 58.2632 28.4751 178.8455 10 V 3.5360 7.4213 118.2111 66.0139 31.8212 177.7913 11 L 4.1127 8.2256 119.2402 57.7856 41.2186 179.6917 12 S 4.1267 8.1648 114.2241 61.4204 62.6841 176.5515 13 Q 3.9615 7.9146 120.6361 58.3661 28.4624 177.9927 14 A 4.1671 7.4791 120.7350 53.9125 19.7395 178.1722 15 N 4.7232 7.4534 116.4537 52.6235 36.8836 174.0103 16 T 4.6455 7.2008 110.7752 59.8945 72.5081 174.6158 17 G 3.9828 9.8806 107.6310 47.0928 0.0000 173.9984 18 G 3.9476 8.2767 108.4155 45.3112 0.0000 174.8821 19 V 4.1319 7.6368 120.9667 62.6731 32.2163 175.2833 20 Q 4.3935 9.0254 125.4659 56.7354 30.9161 175.5258 21 S 4.8292 7.6597 112.8559 56.9839 66.4257 173.2433 22 T 4.9690 8.4826 117.8738 61.9621 72.1682 173.0093 23 L 5.0479 9.3335 125.5652 52.8392 46.4914 175.3470 24 L 5.3237 8.9104 121.2554 52.9506 44.8130 175.7678 25 L 5.1629 8.8558 123.0282 54.2962 44.7126 175.0629 26 N 4.9764 8.5797 117.8252 51.4411 39.2064 175.8266 27 N 4.3186 8.8206 116.2501 56.4413 38.6277 176.5527 28 E 4.0387 8.0589 115.8763 57.6479 29.8473 177.6350 29 G 3.9766 8.7099 107.5530 44.9989 0.0000 173.4336 30 S 4.3095 7.7910 114.7915 57.0309 63.9934 173.2493 31 L 4.2871 8.4345 126.4342 55.2662 42.2652 175.9990 32 L 4.6016 8.8117 126.1294 56.2288 43.2875 176.6759 33 A 4.6586 7.6226 117.2149 51.4061 22.3255 174.6722 34 Y 5.3117 8.3892 119.9630 56.6329 42.6057 174.2682 35 S 4.1428 7.1039 115.4559 58.3015 66.6178 173.0227 36 G 3.9684 8.2607 108.1139 44.4968 0.0000 171.9096 37 Y 5.0522 7.5975 116.8630 55.2096 41.1079 175.3808 38 G 4.9868 9.3550 120.7145 45.8456 0.0000 173.0707 39 D 4.5726 8.4010 117.3943 54.8620 39.4772 172.7591 40 T 4.4740 7.6653 113.2786 60.8405 70.6677 172.7573 41 D 4.1277 8.8358 125.4948 54.5833 41.4648 176.3797 42 A 3.5748 8.4316 129.6543 55.6963 17.8962 179.1962 43 R 3.8898 8.0866 116.0443 59.0400 30.1528 179.4129 44 V 3.6237 8.3572 118.8929 66.0870 31.4681 178.2309 45 T 3.9235 7.8249 114.8510 66.5071 68.2590 176.2326 46 A 3.9572 7.8915 122.1206 55.0945 18.3624 179.3362 47 A 3.9342 7.7467 118.9535 55.4991 18.5306 179.7764 48 I 3.6444 7.7479 117.4456 64.5465 37.2515 178.3645 49 A 4.1343 8.4344 122.1248 55.4949 18.2066 179.9117 50 S 4.2192 8.4166 112.8055 61.5127 63.1175 176.5361 51 N 4.4049 8.4088 120.3654 56.1960 38.3754 177.4750 52 I 3.7935 8.3934 121.6392 64.2025 37.2229 178.3424 53 W 4.1455 8.5865 129.0877 60.4126 30.5251 177.9268 54 A 4.0723 8.4789 120.6981 54.8534 16.4893 179.4461 55 A 3.8223 8.0536 119.3940 55.6222 18.5431 179.3493 56 Y 4.2271 7.7210 113.9993 60.1916 37.8599 177.6781 57 D 4.0563 7.8624 119.6005 57.0165 41.1307 178.2105 58 R 3.9602 7.9021 120.0613 59.7247 30.1633 178.6364 59 N 4.7969 7.4553 114.4962 55.4421 38.4298 178.7113 60 G 4.2943 8.0022 106.4994 45.5914 0.0000 173.4077 61 N 4.9171 7.7281 121.4002 51.6794 38.0256 181.0614 62 Q 4.4525 8.1086 124.9541 54.3787 29.0887 176.1974 63 A 3.1416 7.8108 124.3375 51.7981 21.0767 179.7047 *64 F 4.0035 9.0951 119.1991 58.0347 38.8274 178.5736 65 N 4.9627 8.4201 114.7535 51.9798 41.2406 176.6216 66 E 3.3557 8.2119 117.4363 59.2038 28.5995 175.0582 67 D 4.4052 8.8685 117.1693 55.8094 38.1829 174.1872 68 S 4.8258 7.5600 112.1237 56.4289 64.6977 174.0370 69 L 3.8003 8.3165 123.5739 55.9986 41.9411 176.8483 70 K 4.8070 8.5039 123.5909 57.2120 34.7235 176.0350 71 F 5.0292 7.8263 117.5818 57.2051 42.4308 173.4041 72 I 4.7333 8.5225 125.6887 59.4628 40.6526 174.2998 73 L 5.4463 8.6852 125.5065 53.2427 44.6334 175.6782 74 M 4.8518 9.5056 122.7671 53.4852 35.6246 173.9512 75 D 5.2544 8.9044 122.5002 52.8676 43.1370 174.9297 76 C 5.0111 8.7489 122.5910 57.6313 31.9905 174.9278 77 M 4.0216 8.7980 120.5284 58.3799 31.4755 177.8569 78 E 4.5935 8.4315 114.7155 54.5183 30.4412 175.5422 79 G 4.1200 6.5452 108.6456 46.4914 0.0000 172.2283 80 R 5.3666 8.3580 119.0470 54.1691 33.9967 175.3479 81 V 5.0297 8.9027 120.9472 61.1123 35.3738 173.9815 82 A 5.3690 9.0911 128.1887 50.2799 22.2941 175.1476 83 I 4.9305 8.1580 121.5009 59.9929 41.6413 174.5781 84 T 4.3406 8.0446 119.8016 61.1703 71.3944 172.2478 85 R 4.4017 8.1153 122.1859 55.5879 31.5800 177.5503 86 V 4.1921 8.3607 121.4266 62.2922 34.2644 175.3029 87 A 3.8476 8.2067 133.6692 53.8954 17.6381 177.9647 88 N 4.7079 8.9489 116.4891 55.6231 39.1153 173.9868 89 L 4.6981 7.9086 120.3167 53.0569 45.1936 174.7983 90 L 4.9172 8.5709 118.5646 53.1408 45.3442 175.7765 91 L 5.0441 8.6937 125.1196 53.3895 45.0087 174.5432 92 C 5.3559 8.9136 125.0904 57.9227 35.0951 172.4064 93 M 5.3116 9.1058 124.6335 53.8554 35.6918 173.8355 94 Y 5.3235 9.0496 120.5122 56.5443 40.8136 174.7141 95 A 5.1537 8.9251 123.8904 49.9969 23.6262 175.6019 96 K 4.4941 8.7987 118.9091 56.0685 32.9504 178.6883 97 E 3.9649 8.8350 120.6384 58.5735 29.5997 177.7846 98 T 3.9739 7.6015 113.3015 63.6183 67.8638 174.4552 99 V 3.7591 7.6474 122.0786 62.1568 32.1708 176.5134 100 G 3.6706 8.4516 113.7701 44.4966 0.0000 174.3006 101 F 4.4371 8.5789 122.4106 60.4610 38.9813 178.2611 102 G 3.6576 8.2209 104.7263 48.1533 0.0000 175.2429 103 M 4.0365 7.9779 120.4056 57.9878 32.3065 177.8369 104 L 3.9652 8.2141 120.7832 58.0080 42.2434 178.7285 105 K 3.7151 8.2469 119.3555 59.4355 32.0684 178.3681 106 A 3.9450 8.0650 120.8984 55.2705 18.2729 179.7278 107 K 3.9243 8.4917 117.0934 59.6066 32.1295 179.4892 108 A 4.1185 8.3614 121.1085 55.3833 18.3749 179.7748 109 Q 4.1163 8.6690 116.6785 58.7774 28.8318 178.7214 110 A 4.0365 8.1111 122.1574 55.0107 18.3447 179.4703 111 L 3.9532 7.8238 118.5303 58.1794 42.1980 179.0233 112 V 3.6016 7.8452 118.2958 66.4296 31.2979 177.8514 113 Q 4.0215 8.2676 118.8933 59.2110 28.5881 177.6033 114 Y 4.0421 7.6841 119.5865 60.5072 39.0110 177.2673 115 L 4.0463 8.3176 118.9314 56.9761 41.7962 178.3988 116 E 4.3611 8.0139 119.7492 58.2892 29.9143 178.7903 117 E 3.9428 8.0996 118.2038 61.7037 29.9602 179.7522 118 P 4.4564 0.0000 0.0000 61.3427 30.8291 175.3098 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 8.30 4.39 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 2 L 7.67 4.12 0.00 1.76 1.59 1.04 0.68 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 3 R 8.43 4.34 0.00 1.86 1.84 0.00 3.16 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 4 P 0.00 4.16 0.00 2.27 2.30 0.00 3.70 0.00 0.00 3.77 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 5 K 8.13 3.95 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.51 7.81 6 A 7.98 4.04 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 7 L 8.11 3.92 0.00 1.71 1.86 0.93 0.72 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 8 T 7.74 3.85 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 Q 7.88 4.19 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 10 V 7.42 3.54 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 0.89 0.00 0.00 1.13 0.00 0.00 11 L 8.23 4.11 0.00 1.83 1.61 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.16 4.13 0.00 4.02 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 13 Q 7.91 3.96 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 14 A 7.48 4.17 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 15 N 7.45 4.72 0.00 2.81 2.89 0.00 0.00 6.75 7.32 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 16 T 7.20 4.65 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 1.27 0.00 0.00 17 G 9.88 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 0.00 0.00 0.00 18 G 8.28 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 0.00 0.00 0.00 19 V 7.64 4.13 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 0.87 0.00 0.00 0.96 0.00 0.00 20 Q 9.03 4.39 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 21 S 7.66 4.83 0.00 3.59 3.91 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 22 T 8.48 4.97 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 1.16 0.00 0.00 23 L 9.33 5.05 0.00 1.51 1.75 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.91 5.32 0.00 1.53 1.50 0.92 0.56 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 25 L 8.86 5.16 0.00 1.75 1.68 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.58 4.98 0.00 2.82 2.97 0.00 0.00 7.35 7.02 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 27 N 8.82 4.32 0.00 2.75 2.99 0.00 0.00 6.94 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 28 E 8.06 4.04 0.00 1.94 2.01 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 2.32 2.38 0.00 29 G 8.71 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 0.00 0.00 0.00 30 S 7.79 4.31 0.00 4.01 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 31 L 8.43 4.29 0.00 1.59 1.60 0.80 1.03 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 32 L 8.81 4.60 0.00 1.63 1.69 0.90 0.76 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 33 A 7.62 4.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.39 5.31 0.00 2.85 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 35 S 7.10 4.14 0.00 3.77 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 36 G 8.26 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 37 Y 7.60 5.05 0.00 3.10 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 38 G 9.36 4.99 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 39 D 8.40 4.57 0.00 2.91 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 40 T 7.67 4.47 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 1.29 0.00 0.00 41 D 8.84 4.13 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.43 3.57 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.09 3.89 0.00 1.94 1.95 0.00 3.09 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 44 V 8.36 3.62 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 1.06 0.00 0.00 0.92 0.00 0.00 45 T 7.82 3.92 4.26 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 1.17 0.00 0.00 46 A 7.89 3.96 1.41 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 47 A 7.75 3.93 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 48 I 7.75 3.64 1.94 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 1.49 0.64 0.97 0.00 0.00 49 A 8.43 4.13 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 50 S 8.42 4.22 0.00 4.29 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 0.00 51 N 8.41 4.40 0.00 2.96 2.93 0.00 0.00 6.94 7.27 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 52 I 8.39 3.79 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.07 1.14 0.00 0.00 53 W 8.59 4.15 0.00 3.50 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 54 A 8.48 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.05 3.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.72 4.23 0.00 2.86 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 57 D 7.86 4.06 0.00 2.24 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 58 R 7.90 3.96 0.00 1.92 1.96 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 59 N 7.46 4.80 0.00 2.79 2.72 0.00 0.00 7.05 7.39 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 60 G 8.00 4.29 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 0.00 61 N 7.73 4.92 0.00 2.69 2.65 0.00 0.00 6.67 7.74 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 62 Q 8.11 4.45 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.15 0.00 0.00 0.00 0.00 0.00 2.26 1.88 0.00 63 A 7.81 3.14 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 *64 F 9.10 4.00 0.00 2.31 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 0.00 0.00 0.00 0.00 65 N 8.42 4.96 0.00 2.62 2.85 0.00 0.00 7.04 7.62 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 66 E 8.21 3.36 0.00 2.09 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 67 D 8.87 4.41 0.00 2.82 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 68 S 7.56 4.83 0.00 4.06 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 69 L 8.32 3.80 0.00 1.30 1.07 -0.74 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.81 0.00 1.88 1.99 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.68 7.81 71 F 7.83 5.03 0.00 3.11 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 72 I 8.52 4.73 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.66 0.88 0.00 0.00 73 L 8.69 5.45 0.00 1.49 1.63 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 M 9.51 4.85 0.00 1.91 1.95 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 2.54 2.49 0.00 75 D 8.90 5.25 0.00 3.14 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 76 C 8.75 5.01 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.80 4.02 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 78 E 8.43 4.59 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 79 G 6.55 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 80 R 8.36 5.37 0.00 1.66 1.84 0.00 2.91 0.00 0.00 2.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 81 V 8.90 5.03 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 0.99 0.00 0.00 0.59 0.00 0.00 82 A 9.09 5.37 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 83 I 8.16 4.93 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.92 0.00 0.00 84 T 8.04 4.34 3.28 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 1.09 0.00 0.00 85 R 8.12 4.40 0.00 1.68 1.74 0.00 3.33 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 86 V 8.36 4.19 2.01 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 0.99 0.00 0.00 0.88 0.00 0.00 87 A 8.21 3.85 1.04 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 0.00 0.00 88 N 8.95 4.71 0.00 2.69 2.84 0.00 0.00 6.68 7.85 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 89 L 7.91 4.70 0.00 1.59 1.74 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.57 4.92 0.00 1.33 1.21 0.69 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.69 5.04 0.00 1.62 1.36 0.90 0.61 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 92 C 8.91 5.36 0.00 2.99 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 93 M 9.11 5.31 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 94 Y 9.05 5.32 0.00 2.74 2.76 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 95 A 8.93 5.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.80 4.49 0.00 1.71 1.72 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.59 7.81 97 E 8.84 3.96 0.00 1.99 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 2.22 2.20 0.00 98 T 7.60 3.97 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 99 V 7.65 3.76 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 0.78 0.00 0.00 0.93 0.00 0.00 100 G 8.45 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 0.00 0.00 0.00 101 F 8.58 4.44 0.00 3.13 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 0.00 102 G 8.22 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 0.00 103 M 7.98 4.04 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 104 L 8.21 3.97 0.00 1.84 1.92 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.25 3.72 0.00 1.61 1.77 0.00 1.15 0.00 0.00 1.36 0.00 0.00 2.67 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.14 0.21 7.81 106 A 8.07 3.94 1.38 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 0.00 0.00 107 K 8.49 3.92 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 108 A 8.36 4.12 1.68 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 0.00 109 Q 8.67 4.12 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 110 A 8.11 4.04 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 0.00 111 L 7.82 3.95 0.00 1.77 1.88 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.85 3.60 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 0.97 0.00 0.00 1.11 0.00 0.00 113 Q 8.27 4.02 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 114 Y 7.68 4.04 0.00 3.05 3.16 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 0.00 115 L 8.32 4.05 0.00 1.79 1.72 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.01 4.36 0.00 2.03 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 2.27 2.36 0.00 117 E 8.10 3.94 0.00 2.03 1.86 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 2.26 2.22 0.00 118 P 0.00 4.46 0.00 1.98 2.01 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.