NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2205 8.5445 116.7488 56.0122 30.5522 174.9380 *6 H 4.7131 7.9803 121.3313 52.1613 30.9917 173.6680 7 K 4.7211 8.3233 119.9866 54.7380 36.2026 173.4650 8 Q 4.2550 8.2641 127.5387 54.6772 30.7922 174.9415 9 Q 4.8463 7.6186 122.9168 55.4372 31.8553 170.9126 10 G 4.0755 7.6548 109.6237 45.0728 0.0000 171.8854 11 E 4.8307 8.8687 117.2125 56.1266 30.8866 175.9785 12 L 4.6967 8.9289 120.6642 53.4660 46.9183 174.8663 13 Y 5.1581 8.9178 118.8619 57.6059 39.8869 174.7763 14 M 5.2572 9.4700 121.7462 53.3389 36.4476 174.3629 15 W 4.3517 8.3842 132.5693 56.1856 31.6891 175.1975 16 D 4.3858 7.5769 128.3329 52.4659 41.2759 176.9333 17 S 3.7854 8.1622 120.0179 59.2883 62.8210 175.0190 18 I 3.9128 6.8302 121.9630 63.7757 37.6020 176.4939 19 D 4.3246 7.7208 119.9083 54.8087 41.1931 176.2471 20 Q 2.5896 6.9985 118.0870 56.0256 27.1991 173.2188 21 K 4.8008 6.3223 113.6540 55.0806 36.8524 175.8223 22 W 5.3315 8.9848 121.2290 56.5018 30.2568 175.8931 23 T 4.9495 9.2443 113.2416 60.0391 72.2202 172.8722 24 R 4.8737 8.5888 121.9957 55.6840 31.7740 175.1259 25 H 5.3268 9.4194 121.2330 53.8437 33.4466 172.3741 26 F 4.8964 9.1426 124.5117 57.7901 40.6735 174.3365 27 C 5.9394 8.5951 122.5555 57.3034 32.3323 172.8114 28 A 5.0091 8.1963 117.8755 50.7884 22.9228 175.3288 29 I 5.0184 8.4137 120.5273 59.5527 39.5281 175.3512 30 A 4.7550 8.4772 129.7821 51.4365 22.8418 174.9668 31 D 4.3395 8.5139 121.4709 55.8912 40.3068 174.5923 32 A 4.9238 8.8393 130.2523 53.1984 20.1002 175.6650 33 K 5.2075 8.5978 122.4689 54.8225 36.0863 177.4115 34 L 5.2821 9.1368 127.1549 52.6860 44.2562 175.1242 35 S 5.5587 9.2533 121.8369 56.6346 65.7871 173.1039 36 F 5.5536 8.6249 116.6662 55.4491 41.2400 174.8417 37 S 4.6496 8.7541 117.3681 57.3898 65.1654 173.1287 38 D 4.7141 8.3217 119.8228 53.5214 42.1327 175.8345 39 D 4.4387 8.7839 119.5326 54.9563 41.6179 177.1123 40 I 4.1135 8.7954 119.7523 62.0612 38.1071 176.7729 41 E 4.1952 8.8040 124.2956 59.5719 29.7803 179.0755 42 Q 4.4355 7.6038 113.7799 55.7442 28.3783 179.1792 43 T 3.5634 8.7147 116.5319 61.9015 65.4502 169.0290 44 M 3.0046 9.3905 129.7137 56.5620 32.8374 176.8610 45 E 3.9820 9.0976 122.6858 56.8979 26.7071 174.2321 46 E 4.0688 8.2562 122.9627 57.0888 32.0943 177.1797 47 D 3.8938 9.2702 115.1848 57.4386 37.1266 175.2793 48 N 4.5247 8.3884 126.6168 50.7067 37.8012 169.0935 49 P 4.4350 0.0000 0.0000 65.7585 30.5234 178.0425 50 L 4.6708 9.0355 114.8139 53.6617 41.4782 180.3072 51 G 4.1485 7.5797 108.9762 43.8935 0.0000 171.6209 52 S 4.6414 8.6941 117.4450 57.2308 64.5009 173.8924 53 L 4.4155 8.2172 125.5657 55.0192 42.6136 177.0795 54 C 4.6973 7.5618 114.5792 58.7738 32.7115 174.5225 55 R 3.9828 7.8289 120.6444 58.4154 30.7703 177.1410 56 G 3.8841 6.8638 103.0927 45.7640 0.0000 172.5740 57 I 5.3216 8.3277 121.3872 59.3970 41.0508 174.5449 58 L 4.9016 9.4315 126.9544 53.0780 44.5913 175.3636 59 D 5.0830 8.9269 123.5281 52.9714 41.2924 176.6655 60 L 4.3154 9.0379 128.0867 57.7074 41.9990 179.8220 61 N 4.3736 8.4548 115.8729 56.0904 38.7095 175.9285 62 T 4.1843 8.3680 107.2651 62.2361 69.5641 173.5436 63 Y 5.0847 7.7728 119.3282 56.4409 41.1796 174.3572 64 N 5.3010 9.4214 116.6568 51.8283 43.4631 174.1384 65 V 5.1417 8.5979 113.8837 59.9496 33.7599 175.4011 66 V 4.6850 8.9079 125.5217 61.0369 34.4500 174.2401 67 K 4.6190 8.5597 126.3049 54.7994 34.3871 175.9857 68 A 4.5202 8.1170 128.7925 49.6428 18.8976 175.7044 69 P 4.2206 0.0000 0.0000 66.7167 31.4836 178.6105 70 Q 3.9665 7.8551 113.4830 57.1024 28.9909 177.1553 71 G 3.6636 9.4759 106.9478 45.5395 0.0000 172.2823 72 K 4.1564 8.3076 115.8502 56.8639 35.7692 175.8872 73 N 3.8272 9.6261 123.7145 55.2060 35.8860 175.3742 74 Q 3.6204 8.0297 110.3322 55.3074 26.5299 175.0152 75 K 4.3571 7.8711 118.2421 55.4938 34.1296 177.8070 76 S 3.6912 8.1255 119.3674 60.2925 63.2158 174.0265 77 F 4.9044 7.4346 118.5970 55.7501 41.5165 174.8319 78 V 5.0373 8.2500 116.2823 59.4838 36.4191 174.4656 79 F 5.2705 8.5930 117.2003 55.1720 41.7349 173.7940 80 I 4.9378 9.0472 120.4686 59.7224 40.9863 174.9341 81 L 5.2724 8.9245 127.6724 53.6447 42.0585 174.5856 82 E 5.0428 9.0027 122.8440 54.1582 31.7201 174.5264 83 P 4.8609 0.0000 0.0000 62.8758 32.2911 176.9225 84 K 4.2541 8.4959 123.8320 55.9100 32.9415 178.0085 85 Q 4.1829 7.8423 120.2496 56.8797 26.7495 183.4307 86 Q 3.1546 8.9268 112.1571 57.8410 26.5193 176.4879 87 G 4.0039 8.5513 118.4735 45.1341 0.0000 173.6605 88 D 4.6253 8.4118 122.7754 52.8641 40.1150 174.8944 89 P 5.1834 0.0000 0.0000 59.8638 35.7818 172.7080 90 P 4.8006 0.0000 0.0000 62.4636 32.5445 175.8358 91 V 4.0594 8.2381 123.1092 61.2219 33.7614 174.1426 92 E 4.7208 8.2995 127.0078 54.6889 31.9173 175.0087 93 F 5.2958 8.2679 123.0138 55.9201 42.3150 174.6097 94 A 5.0051 8.5234 121.2106 51.0942 22.7361 175.2766 95 T 4.9907 8.4796 109.3478 60.1803 72.0362 174.4117 96 D 4.5466 9.2790 123.7229 57.6974 41.3114 177.7315 97 K 4.5723 7.7097 120.4855 52.6355 33.9082 179.6055 98 V 2.4201 7.5195 122.3912 64.2020 30.9763 178.4576 99 E 3.9937 7.9563 117.6442 59.2148 29.2087 178.9806 100 E 3.9941 7.9376 119.3745 59.0734 29.5759 178.5839 101 L 4.0391 7.9746 119.9418 58.7098 41.9031 179.0584 102 F 4.7212 7.8937 116.7464 60.6848 38.6789 177.1465 103 E 3.9619 8.4686 118.9824 58.9762 29.2531 178.9843 104 W 4.0102 8.3210 118.7220 59.2053 29.4146 177.8773 105 F 4.2328 8.7675 120.8126 61.9691 38.6710 176.8459 106 Q 3.7873 8.6476 117.3374 59.3520 28.4171 179.3517 107 S 4.0197 7.3990 114.6187 62.1046 63.4082 176.9685 108 I 3.8788 7.6401 122.0201 64.2918 36.7328 178.5261 109 R 4.0169 8.1728 122.1526 59.5545 29.5700 178.8664 110 E 4.4066 8.0857 114.0672 58.7919 29.3524 180.2213 111 I 4.7314 7.8753 119.9484 62.8696 41.0984 175.5592 112 T 4.1805 7.8014 113.9410 61.7517 68.8228 174.3697 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 5 E 8.54 4.22 0.00 2.01 1.85 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 2.13 1.88 0.00 *6 H 7.98 4.71 0.00 2.99 2.88 0.00 7.11 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.32 4.72 0.00 1.48 1.55 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 8 Q 8.26 4.25 0.00 1.85 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.97 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 9 Q 7.62 4.85 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 10 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 11 E 8.87 4.83 0.00 2.03 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 2.24 2.22 0.00 12 L 8.93 4.70 0.00 1.38 1.40 -0.44 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.92 5.16 0.00 2.87 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 M 9.47 5.26 0.00 1.56 1.60 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.90 0.00 15 W 8.38 4.35 0.00 2.11 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 16 D 7.58 4.39 0.00 2.63 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 0.00 0.00 0.00 0.00 17 S 8.16 3.79 0.00 3.89 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 18 I 6.83 3.91 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.80 0.00 0.00 19 D 7.72 4.32 0.00 2.47 2.59 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 0.00 0.00 0.00 0.00 20 Q 7.00 2.59 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 21 K 6.32 4.80 0.00 1.80 1.77 0.00 1.51 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.42 7.81 22 W 8.98 5.33 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 9.24 4.95 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 1.32 0.00 0.00 24 R 8.59 4.87 0.00 1.81 1.86 0.00 3.14 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 0.00 25 H 9.42 5.33 0.00 3.17 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.14 4.90 0.00 3.25 2.99 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 27 C 8.60 5.94 0.00 2.79 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 28 A 8.20 5.01 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 29 I 8.41 5.02 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.91 0.00 0.00 30 A 8.48 4.76 1.25 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 0.00 0.00 31 D 8.51 4.34 0.00 2.84 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 0.00 0.00 0.00 32 A 8.84 4.92 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 33 K 8.60 5.21 0.00 1.40 1.63 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.14 5.28 0.00 1.78 1.66 0.74 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.25 5.56 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 36 F 8.62 5.55 0.00 3.30 3.20 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 37 S 8.75 4.65 0.00 4.19 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 38 D 8.32 4.71 0.00 2.64 2.66 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 39 D 8.78 4.44 0.00 2.69 2.60 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 40 I 8.80 4.11 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 1.08 0.00 0.00 41 E 8.80 4.20 0.00 2.33 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 0.00 2.33 2.28 0.00 42 Q 7.60 4.44 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 43 T 8.71 3.56 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 1.21 0.00 0.00 44 M 9.39 3.00 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 45 E 9.10 3.98 0.00 2.04 2.40 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 2.16 2.17 0.00 46 E 8.26 4.07 0.00 2.06 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 2.24 2.32 0.00 47 D 9.27 3.89 0.00 2.77 3.05 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 48 N 8.39 4.52 0.00 2.93 2.81 0.00 0.00 6.84 7.75 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 49 P 0.00 4.43 0.00 2.13 1.74 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 50 L 9.04 4.67 0.00 1.67 1.53 0.92 0.64 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 51 G 7.58 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.69 4.64 0.00 3.87 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 53 L 8.22 4.42 0.00 1.63 1.63 0.78 0.90 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 54 C 7.56 4.70 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.83 3.98 0.00 1.84 1.76 0.00 3.40 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.50 0.00 56 G 6.86 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 0.00 0.00 0.00 57 I 8.33 5.32 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.99 0.00 0.00 58 L 9.43 4.90 0.00 1.76 1.69 0.90 0.98 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 59 D 8.93 5.08 0.00 2.82 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 60 L 9.04 4.32 0.00 1.86 1.83 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.45 4.37 0.00 2.97 2.93 0.00 0.00 6.97 6.91 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 62 T 8.37 4.18 4.09 0.00 0.00 0.00 0.00 0.00 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 63 Y 7.77 5.08 0.00 2.93 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 64 N 9.42 5.30 0.00 2.84 2.77 0.00 0.00 7.27 8.17 0.00 0.00 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 V 8.60 5.14 2.59 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 0.97 0.00 0.00 1.01 0.00 0.00 66 V 8.91 4.69 2.17 0.00 0.00 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 1.15 0.00 0.00 67 K 8.56 4.62 0.00 1.00 1.45 0.00 1.30 0.00 0.00 1.03 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.04 7.81 68 A 8.12 4.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.22 0.00 2.04 2.15 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 70 Q 7.86 3.97 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 71 G 9.48 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 72 K 8.31 4.16 0.00 1.69 1.53 0.00 1.61 0.00 0.00 1.26 0.00 0.00 3.05 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.06 1.23 7.81 73 N 9.63 3.83 0.00 2.26 2.06 0.00 0.00 6.89 7.69 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 74 Q 8.03 3.62 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 75 K 7.87 4.36 0.00 1.34 1.06 0.00 0.98 0.00 0.00 1.20 0.00 0.00 2.49 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.13 3.69 0.00 2.81 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 77 F 7.43 4.90 0.00 3.00 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 78 V 8.25 5.04 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 0.83 0.00 0.00 0.91 0.00 0.00 79 F 8.59 5.27 0.00 3.09 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 80 I 9.05 4.94 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 0.99 0.00 0.00 81 L 8.92 5.27 0.00 1.68 1.25 1.32 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.00 5.04 0.00 2.15 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 2.34 2.37 0.00 83 P 0.00 4.86 0.00 1.88 1.66 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 84 K 8.50 4.25 0.00 1.79 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.24 7.81 85 Q 7.84 4.18 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.15 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 86 Q 8.93 3.15 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 87 G 8.55 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 88 D 8.41 4.63 0.00 2.71 2.41 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 89 P 0.00 5.18 0.00 2.00 1.94 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 90 P 0.00 4.80 0.00 1.94 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 91 V 8.24 4.06 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 0.12 0.00 0.00 0.76 0.00 0.00 92 E 8.30 4.72 0.00 1.84 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 2.21 2.22 0.00 93 F 8.27 5.30 0.00 1.51 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 0.00 0.00 0.00 0.00 94 A 8.52 5.01 0.46 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 95 T 8.48 4.99 4.48 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 1.24 0.00 0.00 96 D 9.28 4.55 0.00 2.80 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 97 K 7.71 4.57 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 0.98 7.81 98 V 7.52 2.42 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 0.00 0.00 0.52 0.00 0.00 0.63 0.00 0.00 99 E 7.96 3.99 0.00 2.18 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 2.31 2.34 0.00 100 E 7.94 3.99 0.00 2.23 2.28 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 2.44 2.36 0.00 101 L 7.97 4.04 0.00 1.69 1.61 1.03 0.81 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 0.00 102 F 7.89 4.72 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.47 3.96 0.00 2.22 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 2.07 2.26 0.00 104 W 8.32 4.01 0.00 3.38 2.60 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 0.00 105 F 8.77 4.23 0.00 3.19 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.65 3.79 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 107 S 7.40 4.02 0.00 3.62 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 0.00 108 I 7.64 3.88 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.29 1.01 0.00 0.00 109 R 8.17 4.02 0.00 1.38 1.62 0.00 2.99 0.00 0.00 2.56 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 110 E 8.09 4.41 0.00 2.07 1.81 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 2.26 2.22 0.00 111 I 7.88 4.73 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.94 0.00 0.00 112 T 7.80 4.18 4.30 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 1.39 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.