NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.8910 8.1727 120.0274 56.1434 33.4397 173.7077 3 L 4.7889 8.1876 127.4264 52.7598 43.7351 173.8719 4 I 4.9504 9.6447 126.2382 59.3876 42.2530 173.1644 5 I 4.9861 8.7257 129.4038 59.5476 39.8172 174.5004 6 L 5.2368 8.8219 126.5630 52.7070 44.9233 175.9756 7 D 4.8759 9.0196 123.0451 54.2378 41.8609 174.5493 8 R 4.3355 8.7415 120.0822 57.7611 31.4571 175.3500 9 D 4.5100 7.8433 118.2610 55.8564 41.4934 177.2879 10 G 3.9709 9.4874 113.2445 45.3976 0.0000 173.1504 11 V 4.1667 7.4246 115.5185 64.4633 33.7230 176.6480 12 V 3.8149 8.3324 119.3624 64.9095 31.9426 175.1267 13 N 5.1587 7.4934 115.0642 50.1846 40.9435 173.3094 14 Q 4.3597 8.4524 119.7085 55.8730 29.2871 176.6907 15 D 4.6222 8.6646 123.0373 53.4375 41.4379 175.1321 16 S 4.8662 8.2527 112.9857 56.3207 65.3784 174.7081 17 D 4.2027 8.8972 126.7224 56.9598 40.7277 177.0126 18 A 4.4945 7.7793 119.7715 51.2517 19.0357 175.5933 19 F 3.9213 7.3413 118.2939 57.6033 39.0832 175.4863 20 V 4.0861 8.4790 122.6182 62.2118 30.7553 175.6943 21 K 4.3075 8.8864 126.3996 55.7627 33.3190 176.1657 22 S 4.4921 7.4003 112.1656 56.6899 65.4431 174.1616 23 P 4.2703 0.0000 0.0000 66.0011 31.1579 178.8023 24 D 4.4149 8.1119 116.1484 57.1556 40.7950 177.0718 25 E 4.1588 8.0339 116.4198 56.5528 29.8160 176.0892 26 W 4.4342 8.0935 130.1967 55.9981 30.8541 175.2716 27 I 4.3999 7.3729 126.4932 58.8251 39.8395 175.0618 28 A 3.8337 8.1287 129.1588 51.8680 19.0245 177.0347 29 L 4.1093 8.4958 121.7536 53.5426 43.2242 175.2478 30 P 4.3472 0.0000 0.0000 64.2985 31.8075 177.0392 31 G 4.0465 9.0113 111.5364 46.4918 0.0000 175.6523 32 S 4.0810 8.0170 116.2884 61.5820 62.6974 176.5123 33 L 4.0467 7.8225 121.2444 57.8756 41.0312 179.3090 34 Q 3.9532 8.1056 117.3397 58.8105 28.6407 178.5905 35 A 3.9596 8.0987 121.7643 55.2975 18.3813 179.7797 36 I 3.5789 7.7152 118.0247 64.3078 37.0527 178.4940 37 A 3.9868 8.2193 121.8161 55.2256 18.3456 179.7933 38 R 3.8419 8.2418 116.8492 59.5198 30.0684 179.3717 39 L 3.8753 7.8135 118.6356 57.8639 41.5585 179.5599 40 T 3.9327 8.2726 116.1332 67.0039 68.2774 176.6851 41 Q 4.1724 8.2761 117.7850 57.9157 28.6878 177.4067 42 A 4.5799 7.5572 120.2165 51.5297 19.0760 176.5832 43 D 4.5438 8.0076 117.0802 55.9864 38.5876 174.1903 44 W 4.6489 8.4178 118.4722 56.3338 30.6740 176.2500 45 T 4.4435 9.0482 120.8271 62.4238 69.7591 173.8141 46 V 4.7407 8.4037 126.9503 61.2116 33.6712 174.4533 47 V 4.9792 8.7046 127.4503 61.1646 34.9096 174.2318 48 L 5.1770 8.9132 126.4650 53.6252 44.1211 175.7745 49 A 5.0437 9.1744 123.4839 50.6485 21.7874 174.9181 50 T 4.7836 8.7986 116.3171 60.8567 70.5351 173.2441 51 N 4.6526 9.0118 126.1960 52.6390 39.4804 175.7846 52 Q 4.8363 9.1955 123.6120 54.2641 29.4070 176.7016 53 S 4.5810 7.5021 115.3976 59.8964 63.5961 176.2849 54 G 3.2255 8.1776 109.6599 47.5915 0.0000 175.5601 55 L 3.4300 7.4168 120.4585 57.6565 41.4930 179.3710 56 A 3.9586 7.3434 118.7484 54.9435 18.3718 179.0686 57 R 4.0999 7.6801 114.1011 55.9685 30.3426 177.1694 58 G 3.7857 7.4410 106.7338 46.3835 0.0000 175.2132 59 L 4.0943 7.6246 122.2499 56.6710 41.8696 176.9647 60 F 4.7400 6.8528 110.7076 54.9610 40.1795 172.8878 61 D 4.9250 8.3353 121.8270 51.7882 43.0017 177.1849 62 T 3.9546 8.3166 109.1048 64.7179 68.6137 176.0792 63 A 3.9757 8.0719 123.1837 55.5383 18.3369 179.6385 64 T 3.8027 8.5386 114.2983 66.5586 68.5412 176.7770 65 L 3.6844 8.0071 122.3117 58.2601 42.0641 178.8390 66 N 4.3191 8.6848 116.5560 56.1348 38.4135 177.3085 67 A 3.8993 7.9086 122.3719 54.9322 18.2052 179.6555 68 I 3.3859 7.4444 117.5425 64.9679 37.2751 178.2370 69 H 4.1430 7.6854 115.2318 58.3777 28.6853 177.0718 70 D 4.4178 8.0557 120.4895 56.9098 40.9581 178.5788 71 K 4.0571 7.6309 116.4655 57.4526 31.8211 177.5984 *73 H 4.5260 8.0942 118.9586 55.7331 31.8745 175.2860 74 R 3.8507 8.2353 118.7483 59.3485 29.6453 178.2193 75 A 4.0358 7.7078 119.2631 55.2685 18.6038 179.2990 76 L 4.0721 7.8975 116.6806 57.8086 41.5470 179.3074 77 A 3.9925 7.8412 119.6580 55.1095 18.4559 181.2544 78 Q 4.2790 7.6908 115.3664 55.6174 28.8076 177.3907 *80 G 3.8350 8.0230 106.1209 45.1333 0.0000 173.4919 81 G 4.2136 8.2008 107.9957 43.3173 0.0000 174.0314 82 V 4.2683 8.2923 119.9558 60.8383 34.5371 174.8331 83 V 4.2248 8.2986 126.9380 61.6877 31.9556 175.0175 84 D 4.6771 9.2135 128.6058 57.2957 41.7798 175.8611 85 A 4.6272 7.7792 117.1070 50.9870 22.7953 175.3304 86 I 4.6904 8.1881 120.0487 59.7246 39.6836 175.6024 87 F 4.3158 9.3428 126.6204 56.2271 41.6682 174.7559 *89 C 4.6345 8.3465 119.8551 58.9469 32.6039 171.7298 90 P 4.9533 0.0000 0.0000 63.1626 32.0553 175.2552 91 H 4.8590 7.9833 118.1351 54.8310 30.5746 174.8941 92 G 3.9664 9.2279 111.3693 43.6731 0.0000 173.2010 93 P 4.3099 0.0000 0.0000 65.0148 31.2572 177.4881 94 D 4.9427 7.9510 115.1942 54.2842 39.8932 176.2703 95 D 4.5254 8.1958 118.3629 54.1061 41.0168 177.5408 96 G 4.0230 8.0593 106.8956 46.4372 0.0000 173.7961 97 C 4.3328 7.2570 114.4574 56.9508 30.8873 173.0949 98 A 4.3809 8.3785 120.9058 53.0217 18.8685 178.2236 99 C 4.5504 7.8344 108.5547 57.9852 31.2172 173.8738 100 R 4.2858 7.8758 122.2926 55.5786 29.8337 175.5622 101 K 4.6511 8.8826 125.3116 55.8507 32.5586 175.3099 102 P 4.7558 0.0000 0.0000 63.0566 32.0944 176.1771 103 L 4.1332 7.9966 120.6738 54.7256 42.1384 175.6750 104 P 4.7934 0.0000 0.0000 62.8946 31.8257 177.4807 105 G 4.3121 8.1250 107.8494 46.9048 0.0000 174.6942 *107 Y 4.2226 7.9364 118.8697 57.7694 40.0546 177.7127 108 R 3.9989 8.3453 118.7689 59.4176 29.9791 178.8538 109 D 4.4307 8.3904 118.8442 57.3456 40.8898 178.9206 110 I 3.1474 7.2673 119.5809 64.0554 37.1349 178.0735 111 A 4.0499 8.0023 121.6104 55.1957 18.0734 179.6831 112 R 3.8428 8.0447 117.1898 59.4937 29.9590 178.5114 113 R 3.8192 8.0530 117.6469 59.2651 30.1588 177.1753 114 Y 4.3931 7.7160 112.2764 56.3779 39.5896 174.8077 115 D 4.4190 7.6781 119.1019 55.4664 40.0360 172.7060 116 V 4.5814 7.8432 110.5922 59.4485 36.1278 175.5170 117 D 4.6026 8.4759 121.1891 54.0254 41.9374 176.2543 118 L 4.3275 8.4524 124.1527 54.6131 42.2278 176.3512 119 A 4.3302 7.1705 122.3799 53.1597 18.4061 178.4242 120 G 3.9619 8.9938 110.8688 45.3618 0.0000 173.2915 121 V 4.0722 7.8863 121.8119 61.7057 32.6776 173.5316 122 P 5.2041 0.0000 0.0000 62.8711 32.9202 175.0247 123 A 5.2078 9.2960 124.5660 50.3517 21.9803 174.6877 124 V 4.8377 9.0697 123.7757 61.7828 33.6781 175.1753 125 G 4.7638 9.3398 114.2336 45.1102 0.0000 172.4050 126 D 5.0658 9.0839 116.9235 52.8039 40.9848 175.9321 127 S 4.9072 8.2176 115.7349 55.0654 66.3673 174.6026 128 L 3.9642 8.6377 124.5191 58.5432 41.7221 179.7390 129 R 3.9641 8.0057 115.3217 59.1957 29.2878 178.5454 130 D 4.4069 8.0322 119.8191 57.3533 40.7746 178.6667 131 L 4.0066 7.8342 118.9990 57.7537 41.6180 179.4935 132 Q 3.8922 8.2787 117.8772 58.7534 28.6093 178.4007 133 A 4.1022 8.2147 122.8521 54.5064 18.4358 179.5872 134 A 2.9625 7.4266 118.8115 54.9470 18.5450 179.7538 135 A 3.8971 8.0855 119.6243 55.3037 18.2123 179.6209 136 Q 3.8893 8.0374 117.0865 59.0907 29.1929 177.8608 137 A 4.2680 7.3981 119.8429 52.3940 18.5098 177.8657 138 G 3.9942 7.7411 104.3010 45.2303 0.0000 173.7374 139 C 4.6578 7.9870 117.3632 59.4954 29.7417 173.0064 140 A 4.6017 8.9218 122.4821 50.0928 19.9332 174.9888 141 P 5.0554 0.0000 0.0000 62.9004 33.1020 175.7762 142 W 5.1848 9.5450 123.2440 54.7795 32.9061 173.9335 143 L 5.1357 9.3021 126.6485 53.5586 43.8218 176.2638 144 V 5.2181 8.5245 119.4853 60.3372 33.5125 176.5497 145 Q 4.6069 8.3093 119.6759 56.2874 29.6663 176.4889 146 T 4.1163 7.9219 110.2902 61.4647 70.7096 175.9025 147 G 4.1121 8.0425 110.7994 47.3648 0.0000 174.4556 148 N 4.6998 9.8953 123.1033 53.3727 38.5893 177.1084 149 G 3.9851 8.3027 109.6762 47.3095 0.0000 176.2730 150 R 3.8902 7.9050 120.6094 58.9687 30.1673 178.3859 151 K 3.9078 7.9496 118.9784 59.7831 32.1950 178.6148 152 T 3.8479 8.1251 116.2853 66.6311 68.2657 176.2818 153 L 3.9343 8.2648 122.1735 58.1904 41.9272 178.8948 154 A 4.0035 7.9625 119.5645 55.1731 18.3854 179.2122 155 Q 4.0942 8.2638 115.3380 58.0363 29.3413 177.8731 156 G 3.7437 8.4715 108.6557 45.9177 0.0000 174.6653 157 G 3.8703 8.8751 111.9745 46.0793 0.0000 173.8940 158 L 4.1978 7.6334 118.3031 53.1810 42.5591 175.2723 159 P 4.2851 0.0000 0.0000 62.6697 31.8648 175.9823 160 E 4.0699 8.5256 121.4596 58.1004 29.7380 177.6807 161 G 3.8522 8.8381 111.0164 45.2263 0.0000 173.4529 162 T 3.9458 7.3709 116.4517 64.2667 69.0489 173.8610 163 R 4.1983 8.0835 125.0244 54.7397 32.1319 175.4090 164 V 4.8748 8.1075 122.3247 61.4617 33.7310 174.3512 165 C 5.0104 9.1235 124.2304 57.9746 32.6783 174.9807 166 E 4.1610 8.9365 120.2622 59.6087 30.5114 176.4599 167 D 4.8552 7.6182 116.6028 51.1610 42.1627 175.6995 168 L 3.8657 8.4296 119.5403 58.1071 41.8416 178.3044 169 A 3.8997 8.0115 120.1453 55.2556 18.2865 179.3390 170 A 3.9373 8.4340 119.1607 55.0021 18.3358 179.9507 171 V 3.2837 7.7264 116.6150 66.0735 31.5079 178.0213 172 A 3.5802 7.7596 120.3435 55.0758 18.1559 179.0889 173 E 3.7854 8.0168 117.7241 59.4690 29.7067 178.9362 174 Q 3.9934 8.0773 119.4899 59.1929 28.9706 178.0368 175 L 4.0048 7.7344 119.2445 57.8743 41.8812 179.2307 176 L 4.2638 8.1363 118.8182 57.3927 41.3753 179.4472 177 Q 4.1472 8.1071 117.7569 58.5891 28.7792 177.6133 178 E 4.4192 7.9202 115.9986 56.3540 29.9330 176.8650 179 A 4.3904 7.4313 125.3776 52.5657 18.6215 177.1597 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 2 K 8.17 3.89 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 0.98 7.81 3 L 8.19 4.79 0.00 1.56 1.50 0.67 0.58 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 4 I 9.64 4.95 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.91 0.00 0.00 5 I 8.73 4.99 2.02 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 1.17 0.61 0.76 0.00 0.00 6 L 8.82 5.24 0.00 1.56 1.53 0.90 0.64 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 7 D 9.02 4.88 0.00 2.75 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 8 R 8.74 4.34 0.00 1.99 1.91 0.00 3.57 0.00 0.00 3.56 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 9 D 7.84 4.51 0.00 2.75 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 10 G 9.49 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 11 V 7.42 4.17 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 0.84 0.00 0.00 0.96 0.00 0.00 12 V 8.33 3.81 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 1.21 0.00 0.00 1.05 0.00 0.00 13 N 7.49 5.16 0.00 1.86 1.47 0.00 0.00 6.19 7.44 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 14 Q 8.45 4.36 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 15 D 8.66 4.62 0.00 2.68 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 16 S 8.25 4.87 0.00 3.80 3.60 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 17 D 8.90 4.20 0.00 2.67 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 18 A 7.78 4.49 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 19 F 7.34 3.92 0.00 3.35 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 0.00 20 V 8.48 4.09 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 0.96 0.00 0.00 1.07 0.00 0.00 21 K 8.89 4.31 0.00 1.93 1.95 0.00 1.94 0.00 0.00 2.06 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.64 7.81 22 S 7.40 4.49 0.00 3.93 3.90 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 23 P 0.00 4.27 0.00 2.19 2.12 0.00 3.57 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 2.07 2.04 0.00 24 D 8.11 4.41 0.00 2.69 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 25 E 8.03 4.16 0.00 2.14 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 2.35 2.27 0.00 26 W 8.09 4.43 0.00 3.19 3.26 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 27 I 7.37 4.40 1.68 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 0.73 0.80 0.00 0.00 28 A 8.13 3.83 1.09 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 0.00 0.00 0.00 29 L 8.50 4.11 0.00 1.62 1.52 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.35 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 31 G 9.01 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 32 S 8.02 4.08 0.00 4.03 3.90 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 33 L 7.82 4.05 0.00 1.72 1.76 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.11 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 35 A 8.10 3.96 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 36 I 7.72 3.58 2.01 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 1.42 0.76 0.91 0.00 0.00 37 A 8.22 3.99 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 38 R 8.24 3.84 0.00 1.92 1.94 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 39 L 7.81 3.88 0.00 1.66 1.40 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.27 3.93 4.41 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 1.29 0.00 0.00 41 Q 8.28 4.17 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.22 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 42 A 7.56 4.58 1.53 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 D 8.01 4.54 0.00 2.83 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 44 W 8.42 4.65 0.00 3.14 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 45 T 9.05 4.44 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 1.02 0.00 0.00 46 V 8.40 4.74 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 0.96 0.00 0.00 0.95 0.00 0.00 47 V 8.70 4.98 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 1.24 0.00 0.00 0.99 0.00 0.00 48 L 8.91 5.18 0.00 1.69 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.68 4.10 0.00 1.44 1.76 0.00 2.63 0.00 0.00 2.85 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 58 G 7.44 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 0.00 0.00 0.00 59 L 7.62 4.09 0.00 1.37 1.76 0.25 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 F 6.85 4.74 0.00 3.06 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 61 D 8.34 4.93 0.00 2.96 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 62 T 8.32 3.95 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 1.22 0.00 0.00 63 A 8.07 3.98 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 64 T 8.54 3.80 4.47 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 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1.88 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 75 A 7.71 4.04 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 76 L 7.90 4.07 0.00 1.81 1.80 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.84 3.99 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 78 Q 7.69 4.28 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 *80 G 8.02 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.20 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 0.00 0.00 0.00 0.00 82 V 8.29 4.27 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 0.93 0.00 0.00 83 V 8.30 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 127 S 8.22 4.91 0.00 4.03 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 0.00 128 L 8.64 3.96 0.00 1.75 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.01 3.96 0.00 2.20 2.20 0.00 3.08 0.00 0.00 3.63 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 130 D 8.03 4.41 0.00 2.93 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 0.00 131 L 7.83 4.01 0.00 1.77 1.70 0.92 1.18 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 0.00 132 Q 8.28 3.89 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 133 A 8.21 4.10 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 0.00 134 A 7.43 2.96 1.18 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 0.00 0.00 0.00 135 A 8.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.04 3.89 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 137 A 7.40 4.27 1.39 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 0.00 0.00 138 G 7.74 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 0.00 139 C 7.99 4.66 0.00 3.00 3.14 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 0.00 140 A 8.92 4.60 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 0.00 141 P 0.00 5.06 0.00 2.07 1.98 0.00 3.50 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 142 W 9.54 5.18 0.00 3.15 3.10 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 0.00 143 L 9.30 5.14 0.00 1.72 1.52 0.99 0.90 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 0.00 144 V 8.52 5.22 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 0.83 0.00 0.00 1.01 0.00 0.00 145 Q 8.31 4.61 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 146 T 7.92 4.12 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 1.25 0.00 0.00 147 G 8.04 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 0.00 148 N 9.90 4.70 0.00 2.89 2.84 0.00 0.00 7.29 7.16 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 0.00 149 G 8.30 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 0.00 150 R 7.90 3.89 0.00 1.93 1.93 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 151 K 7.95 3.91 0.00 1.85 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.55 7.81 152 T 8.13 3.85 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 1.21 0.00 0.00 153 L 8.26 3.93 0.00 1.96 1.82 0.90 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 0.00 154 A 7.96 4.00 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 0.00 155 Q 8.26 4.09 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 156 G 8.47 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 0.00 0.00 0.00 157 G 8.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.20 0.00 1.62 1.58 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.29 0.00 2.13 1.95 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 160 E 8.53 4.07 0.00 1.92 1.87 0.00 0.00 0.00 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 2.24 0.00 161 G 8.84 3.85 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 0.00 0.00 0.00 162 T 7.37 3.95 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 163 R 8.08 4.20 0.00 0.67 0.83 0.00 2.65 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.00 164 V 8.11 4.87 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 0.82 0.00 0.00 0.88 0.00 0.00 165 C 9.12 5.01 0.00 3.01 2.83 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 0.00 0.00 0.00 0.00 166 E 8.94 4.16 0.00 1.90 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 2.41 2.26 0.00 167 D 7.62 4.86 0.00 2.82 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 0.00 168 L 8.43 3.87 0.00 1.73 1.65 0.79 0.87 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 0.00 169 A 8.01 3.90 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 0.00 170 A 8.43 3.94 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 0.00 171 V 7.73 3.28 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 0.16 0.00 0.00 1.02 0.00 0.00 172 A 7.76 3.58 1.11 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 0.00 173 E 8.02 3.79 0.00 2.07 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 2.30 2.37 0.00 174 Q 8.08 3.99 0.00 2.49 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 175 L 7.73 4.00 0.00 1.37 1.49 0.04 0.79 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 0.00 176 L 8.14 4.26 0.00 1.70 1.72 0.88 1.19 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 0.00 177 Q 8.11 4.15 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 178 E 7.92 4.42 0.00 2.14 2.07 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 2.37 2.51 0.00 179 A 7.43 4.39 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.