NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5927 8.3493 120.1926 54.5961 41.6259 174.9112 3 I 4.3034 8.0887 120.5805 59.2884 38.1373 175.8204 4 S 4.1792 8.5947 119.5129 61.9891 63.0683 177.2984 5 L 3.8856 7.7814 123.5060 57.4923 41.8455 178.2908 6 L 3.7135 7.7960 119.8483 58.1812 41.4993 178.8741 7 K 3.6885 8.3052 118.6400 59.4176 31.7628 179.0682 8 Q 3.9084 7.6972 118.5445 59.3179 29.2782 178.2575 9 V 3.6625 7.9003 119.7494 65.7884 31.6188 178.3251 10 V 3.6466 7.8836 119.1232 64.6393 30.7944 178.3397 11 Q 4.0388 7.5047 117.5714 58.2705 28.7166 177.1378 12 S 4.6748 7.7153 113.0494 57.9954 63.3693 173.2095 13 T 4.8982 7.6180 113.5317 61.2525 70.4011 172.8008 14 N 4.6575 8.5676 122.3861 51.7762 39.4524 173.2097 15 K 5.3961 8.3230 117.7858 56.2278 36.5169 174.6124 16 I 5.0522 8.7889 114.7151 58.9630 41.2826 174.5183 17 A 4.6150 8.9869 127.0844 51.6552 19.4504 176.4051 18 L 4.4892 9.1496 126.3128 54.4591 43.5499 175.0385 19 S 5.3814 9.2087 122.8069 56.6665 64.7775 172.9106 20 T 5.2878 8.9424 116.2267 59.8642 72.5771 172.6876 21 A 5.0780 8.8301 123.7990 50.3833 22.3041 175.2984 22 V 4.4859 8.2415 121.8619 61.7990 35.1576 175.3030 23 N 4.2592 9.7611 124.8270 54.6281 36.0839 174.3075 24 N 4.2549 8.4440 110.3325 53.8535 36.6781 173.4928 25 E 4.5301 8.2029 119.8477 54.3186 31.2748 174.5813 26 A 5.0530 8.3286 127.4466 51.2255 20.5563 175.7318 27 D 4.9301 8.6417 119.3127 52.9363 45.3848 174.4373 28 V 5.0386 8.1614 121.8281 60.3789 34.6342 173.8272 29 K 4.6735 8.8830 123.2039 55.1979 36.2700 174.4291 30 I 4.8982 8.3227 126.1057 60.1937 38.3823 175.5215 31 V 4.6844 8.4877 119.7569 59.2472 35.5713 175.2224 32 N 5.1770 8.9840 120.6447 53.5452 39.2535 174.1578 33 F 5.3303 8.4874 115.6408 55.4692 41.6012 173.9921 34 V 4.2664 8.8627 111.8129 59.4606 35.7528 174.5853 35 W 5.5886 8.1384 130.7775 56.3688 33.9603 173.5476 36 Y 4.3209 7.6604 122.6129 55.6306 40.6273 176.2124 37 E 3.3560 8.5433 123.6702 59.4458 29.7024 178.6754 38 A 4.0604 7.7479 119.8268 54.3357 19.3774 177.1631 39 Q 4.5071 7.6357 116.5211 53.8429 28.6631 173.9347 40 P 4.4150 0.0000 0.0000 64.7959 32.4221 177.5318 41 D 3.4906 7.6885 118.0768 53.4674 40.5037 175.6415 42 T 5.0241 7.6695 115.3331 61.9847 71.8532 173.2045 43 L 5.1144 8.5887 125.6096 53.3069 44.6444 174.9901 44 Y 5.4688 9.2231 120.5293 56.5217 41.1064 174.7746 45 F 5.8399 9.3357 116.9541 55.2881 42.2342 173.0002 46 S 5.7050 8.9902 112.1408 56.2846 66.2906 172.7449 47 S 4.8748 8.5542 114.6135 57.1222 66.5918 173.0207 48 V 4.3562 8.5413 114.8083 61.0935 31.7114 178.2340 49 K 4.0477 8.9228 124.3824 59.8681 32.4692 177.8710 50 T 4.3292 7.7573 107.0575 61.3027 69.5904 174.6946 51 S 4.2564 7.9949 118.9273 57.7055 63.0347 173.2547 52 P 4.3113 0.0000 0.0000 64.9699 31.5945 178.1451 53 A 3.6399 7.8807 121.7240 55.1222 17.9860 179.4844 54 L 4.0099 7.8485 119.6204 58.3732 41.4119 180.5011 55 K 3.9885 7.4715 122.7213 59.5292 31.8446 182.0538 56 V 3.8826 7.3259 118.6271 66.3312 31.3869 177.6771 57 Y 4.4076 7.8000 116.7668 61.1788 37.4334 178.0365 58 D 4.6780 8.3519 118.2360 55.9758 40.9511 177.3367 59 Q 4.4316 7.9119 118.1281 54.2648 30.1418 175.1418 60 N 4.1635 7.8647 117.0708 54.1196 37.6153 171.8992 61 P 4.6807 0.0000 0.0000 62.7728 33.0316 177.1859 62 D 4.7012 8.6711 120.7363 54.3550 42.6159 175.0769 63 I 5.1364 8.3279 123.8587 59.5894 41.5041 174.0848 64 A 5.1489 9.0553 126.8589 50.2862 22.9416 174.7688 65 F 5.9464 8.4176 113.6993 55.0367 42.2766 173.1249 66 I 5.4369 8.2579 118.5042 59.5606 41.3401 174.4631 67 T 4.7372 8.9741 119.3440 61.7633 69.9723 173.7026 68 I 4.6184 8.0836 123.3483 58.8286 39.4174 174.2331 69 P 4.6673 0.0000 0.0000 62.2256 32.3087 176.1136 70 N 4.4500 9.1684 120.3255 53.2450 39.8164 174.3206 71 D 4.4863 8.6857 121.3344 56.3827 41.5175 176.9855 72 G 3.9920 8.9805 114.5107 45.4380 0.0000 173.3976 73 T 4.0758 7.5323 116.9180 62.8446 69.0751 174.2711 74 A 4.0985 8.4476 129.6927 53.2279 19.4734 177.5052 75 G 3.7882 8.9052 113.0302 45.1725 0.0000 173.5411 76 N 4.5457 8.0334 114.1629 52.5895 34.5927 176.4567 77 P 4.8510 0.0000 0.0000 63.6309 33.0297 176.4742 78 Y 4.7645 8.0984 116.8861 56.5777 41.6528 172.8204 79 L 5.2280 8.7680 120.4641 53.3101 45.0573 175.6818 80 R 5.1171 9.0191 121.1138 55.0391 34.0065 173.6203 81 A 4.7799 8.0973 126.0708 50.5372 22.9345 174.8865 82 Q 4.6437 8.1938 117.9130 53.8953 32.8556 174.4864 83 H 4.4770 8.2897 113.4925 55.8863 26.3626 175.5063 84 V 4.0133 7.9961 120.6836 63.1763 32.6182 176.1278 85 K 4.5287 8.6998 131.0745 54.1301 33.2346 173.3955 86 L 5.3268 8.5372 127.4099 52.6560 44.0547 175.2774 87 Q 4.8035 8.8188 122.3497 54.6461 32.4090 174.2286 88 R 4.1023 8.6761 119.4147 56.4862 30.8555 176.0100 89 S 4.9857 8.0443 116.9611 57.0864 63.9888 174.3616 90 T 4.1841 8.5030 113.4107 62.6132 69.3834 175.3838 91 K 4.4025 7.9760 122.6969 56.6920 34.1066 176.6890 92 T 4.3773 8.3559 109.7177 62.2223 68.2603 177.3316 *94 T 4.0501 8.7024 117.1127 63.4584 70.2441 175.3773 95 D 4.2797 7.8325 119.9772 56.9928 41.0483 177.5262 96 L 4.5063 7.5107 116.8091 55.1717 42.7687 178.3356 97 L 3.6811 7.3285 120.2078 57.6315 41.7387 176.8813 98 P 4.1963 0.0000 0.0000 65.9176 31.3871 178.3041 99 Q 3.9124 8.0297 117.5612 59.0633 28.5231 177.3055 100 Y 3.6660 7.9918 117.8928 61.1643 37.6752 178.8722 101 L 4.1559 8.1837 118.6728 57.7305 41.7320 178.9358 102 E 4.0857 8.1380 119.0193 58.4855 29.6818 177.3533 103 T 4.2564 7.6087 105.9167 60.8647 70.6202 173.9167 104 V 4.1741 7.8237 122.8134 59.9934 32.2128 172.8215 105 P 4.3051 0.0000 0.0000 64.2785 31.8899 176.3512 106 N 4.3794 9.1263 117.5760 54.5425 36.1700 175.6119 107 Y 4.0747 7.8833 121.8952 60.4913 38.5965 177.5782 108 Q 4.0733 8.3717 120.4398 59.6817 28.9875 178.5757 109 Q 4.0393 8.0442 118.0920 58.3431 28.6982 178.8300 110 V 3.3954 7.3556 119.1775 65.5451 31.5994 177.4200 111 W 4.1794 7.7921 128.4242 60.8837 30.3035 177.6313 112 D 4.1170 8.2726 117.2453 56.9855 40.2191 178.5823 113 A 4.1275 7.4908 120.4222 54.3272 18.8698 178.2775 114 I 4.4066 7.5788 107.1373 59.9783 39.2338 177.1840 115 G 2.5806 7.8843 112.8076 48.5948 0.0000 176.3115 116 S 4.0375 7.4164 113.1742 60.3351 63.2671 174.8064 117 T 4.2719 7.8801 110.5603 61.7910 69.2401 174.2940 118 L 4.8499 7.6208 123.2004 54.6979 42.8012 176.3520 119 V 4.3180 8.9333 123.0653 61.0583 34.3493 174.4495 120 V 4.5035 8.0947 127.4407 62.0511 33.2015 174.4485 121 F 5.0107 8.9689 125.9118 55.5734 42.7299 173.8152 122 E 4.9788 9.2473 121.2953 54.6108 32.4166 174.9962 123 L 4.9357 9.0592 124.7050 53.3174 43.8167 175.5267 124 K 4.8658 9.4163 125.2550 54.9236 33.7653 176.0028 125 L 4.3188 8.7159 126.0437 54.9141 42.6970 175.3777 126 T 4.3491 8.8945 117.7607 63.5118 69.1717 173.4938 127 D 5.3595 8.1575 124.5957 53.1609 43.7279 175.8194 128 L 4.7688 9.0748 124.0258 53.2914 45.4607 174.7956 129 F 5.0496 9.2561 129.4982 57.3099 41.1532 174.2691 130 V 4.2027 8.2052 126.1566 60.8973 34.1247 173.5546 131 D 4.6760 8.1916 127.8464 52.0631 43.0453 175.7961 132 A 3.9461 8.7368 128.3549 52.9337 18.9907 177.3808 133 G 3.6849 8.6364 102.8043 43.5364 0.0000 172.4859 134 V 3.5857 7.4402 117.7864 64.8281 31.3816 177.1993 135 G 3.9168 9.0435 114.8303 45.5204 0.0000 173.0451 136 G 4.0389 7.6623 108.2074 43.2901 0.0000 173.4391 137 E 4.1135 8.3626 120.9517 56.1020 30.8783 175.6239 138 K 4.9618 8.3554 124.1259 54.7562 35.6050 175.1924 139 Q 4.5915 8.4223 120.2691 55.5176 32.6130 173.0835 140 T 5.1026 8.3814 116.5410 61.9299 70.7064 173.8952 141 L 4.3492 8.7973 127.3077 53.9229 43.6302 175.8722 142 T 4.8943 8.0192 119.0892 61.7497 71.1137 174.0463 143 F 4.5275 8.9477 124.7363 57.5958 38.7561 175.9182 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 D 8.35 4.59 0.00 2.65 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 3 I 8.09 4.30 2.15 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.38 1.13 0.00 0.00 4 S 8.59 4.18 0.00 4.09 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 0.00 5 L 7.78 3.89 0.00 1.70 1.60 0.88 0.43 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 6 L 7.80 3.71 0.00 1.73 1.83 0.50 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.31 3.69 0.00 2.09 1.93 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.33 7.81 8 Q 7.70 3.91 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 9 V 7.90 3.66 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 0.91 0.00 0.00 0.84 0.00 0.00 10 V 7.88 3.65 1.59 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 0.46 0.00 0.00 0.87 0.00 0.00 11 Q 7.50 4.04 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.42 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 12 S 7.72 4.67 0.00 3.96 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 13 T 7.62 4.90 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 1.46 0.00 0.00 14 N 8.57 4.66 0.00 2.51 2.71 0.00 0.00 5.65 7.09 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 15 K 8.32 5.40 0.00 1.91 1.93 0.00 1.28 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 16 I 8.79 5.05 1.67 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 0.26 0.00 0.00 17 A 8.99 4.62 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 18 L 9.15 4.49 0.00 1.50 1.57 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.21 5.38 0.00 3.88 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 20 T 8.94 5.29 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 1.35 0.00 0.00 21 A 8.83 5.08 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 22 V 8.24 4.49 2.09 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 1.12 0.00 0.00 0.96 0.00 0.00 23 N 9.76 4.26 0.00 2.89 2.87 0.00 0.00 7.15 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.44 4.25 0.00 2.88 2.93 0.00 0.00 6.97 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 25 E 8.20 4.53 0.00 1.97 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 2.21 2.22 0.00 26 A 8.33 5.05 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 27 D 8.64 4.93 0.00 2.65 2.45 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 28 V 8.16 5.04 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 0.72 0.00 0.00 0.98 0.00 0.00 29 K 8.88 4.67 0.00 1.85 1.64 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 30 I 8.32 4.90 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.98 0.00 0.00 31 V 8.49 4.68 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 0.57 0.00 0.00 32 N 8.98 5.18 0.00 2.76 2.59 0.00 0.00 6.72 7.45 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 33 F 8.49 5.33 0.00 3.14 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 34 V 8.86 4.27 1.73 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 -0.08 0.00 0.00 1.06 0.00 0.00 35 W 8.14 5.59 0.00 3.47 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 36 Y 7.66 4.32 0.00 2.85 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 37 E 8.54 3.36 0.00 1.85 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 2.52 2.43 0.00 38 A 7.75 4.06 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 39 Q 7.64 4.51 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 40 P 0.00 4.42 0.00 2.69 2.48 0.00 3.82 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 2.24 2.12 0.00 41 D 7.69 3.49 0.00 2.22 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 0.00 0.00 0.00 0.00 42 T 7.67 5.02 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 0.54 0.00 0.00 43 L 8.59 5.11 0.00 1.50 1.49 0.93 -0.74 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 44 Y 9.22 5.47 0.00 3.11 2.96 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 45 F 9.34 5.84 0.00 3.34 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 46 S 8.99 5.71 0.00 4.04 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 47 S 8.55 4.87 0.00 4.26 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 48 V 8.54 4.36 2.11 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 0.76 0.00 0.00 0.98 0.00 0.00 49 K 8.92 4.05 0.00 2.16 1.99 0.00 1.71 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 1.44 1.26 7.81 50 T 7.76 4.33 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 51 S 7.99 4.26 0.00 4.00 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 52 P 0.00 4.31 0.00 2.21 2.27 0.00 3.76 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 2.04 1.95 0.00 53 A 7.88 3.64 1.03 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 0.00 0.00 0.00 0.00 0.00 54 L 7.85 4.01 0.00 1.99 1.83 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.47 3.99 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 56 V 7.33 3.88 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 1.03 0.00 0.00 0.84 0.00 0.00 57 Y 7.80 4.41 0.00 2.98 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 58 D 8.35 4.68 0.00 2.84 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 59 Q 7.91 4.43 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 60 N 7.86 4.16 0.00 2.82 2.84 0.00 0.00 7.09 7.45 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 61 P 0.00 4.68 0.00 2.18 2.11 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 62 D 8.67 4.70 0.00 2.90 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 63 I 8.33 5.14 2.11 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 1.32 0.79 0.97 0.00 0.00 64 A 9.06 5.15 1.10 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 65 F 8.42 5.95 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 66 I 8.26 5.44 1.88 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.99 0.92 0.00 0.00 67 T 8.97 4.74 4.37 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 1.16 0.00 0.00 68 I 8.08 4.62 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 1.25 0.72 0.94 0.00 0.00 69 P 0.00 4.67 0.00 1.96 2.02 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 70 N 9.17 4.45 0.00 2.65 2.74 0.00 0.00 6.78 8.05 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 71 D 8.69 4.49 0.00 2.64 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 72 G 8.98 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 73 T 7.53 4.08 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 1.21 0.00 0.00 74 A 8.45 4.10 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 75 G 8.91 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 76 N 8.03 4.55 0.00 2.89 2.72 0.00 0.00 6.83 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 77 P 0.00 4.85 0.00 2.02 2.20 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 78 Y 8.10 4.76 0.00 3.06 3.09 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 79 L 8.77 5.23 0.00 1.74 1.67 0.76 0.94 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 80 R 9.02 5.12 0.00 2.20 1.99 0.00 3.02 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 81 A 8.10 4.78 0.73 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 0.00 0.00 82 Q 8.19 4.64 0.00 1.78 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 83 H 8.29 4.48 0.00 3.29 3.35 0.00 5.74 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 84 V 8.00 4.01 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 0.91 0.00 0.00 0.87 0.00 0.00 85 K 8.70 4.53 0.00 1.52 1.67 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 1.25 7.81 86 L 8.54 5.33 0.00 1.62 1.59 1.00 0.23 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 87 Q 8.82 4.80 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 88 R 8.68 4.10 0.00 1.68 1.75 0.00 3.04 0.00 0.00 2.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 89 S 8.04 4.99 0.00 3.94 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 90 T 8.50 4.18 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 1.20 0.00 0.00 91 K 7.98 4.40 0.00 1.71 1.60 0.00 1.34 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.31 7.81 92 T 8.36 4.38 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 1.19 0.00 0.00 *94 T 8.70 4.05 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 1.18 0.00 0.00 95 D 7.83 4.28 0.00 2.67 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 96 L 7.51 4.51 0.00 1.72 1.94 1.01 0.23 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 97 L 7.33 3.68 0.00 1.18 1.29 0.36 -0.16 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 98 P 0.00 4.20 0.00 2.19 2.08 0.00 3.66 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 2.07 2.10 0.00 99 Q 8.03 3.91 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 1.87 2.19 0.00 100 Y 7.99 3.67 0.00 2.95 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 0.00 0.00 0.00 101 L 8.18 4.16 0.00 1.71 1.76 0.88 1.09 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 0.00 102 E 8.14 4.09 0.00 2.04 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 2.27 2.28 0.00 103 T 7.61 4.26 4.03 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 0.00 0.00 1.10 0.00 0.00 104 V 7.82 4.17 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 1.20 0.00 0.00 0.66 0.00 0.00 105 P 0.00 4.31 0.00 2.12 2.02 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 106 N 9.13 4.38 0.00 2.98 2.96 0.00 0.00 6.77 7.48 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 0.00 107 Y 7.88 4.07 0.00 3.30 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 0.00 108 Q 8.37 4.07 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 109 Q 8.04 4.04 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 110 V 7.36 3.40 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 0.89 0.00 0.00 0.89 0.00 0.00 111 W 7.79 4.18 0.00 3.28 3.22 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 0.00 112 D 8.27 4.12 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 0.00 113 A 7.49 4.13 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 0.00 114 I 7.58 4.41 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.86 0.00 0.00 115 G 7.88 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 0.00 0.00 0.00 116 S 7.42 4.04 0.00 3.87 3.80 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 0.00 117 T 7.88 4.27 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 1.15 0.00 0.00 118 L 7.62 4.85 0.00 1.80 1.75 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.93 4.32 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 0.54 0.00 0.00 0.95 0.00 0.00 120 V 8.09 4.50 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 1.03 0.00 0.00 0.89 0.00 0.00 121 F 8.97 5.01 0.00 1.52 2.44 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 0.00 122 E 9.25 4.98 0.00 1.80 1.63 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 1.90 2.26 0.00 123 L 9.06 4.94 0.00 1.63 1.68 0.71 0.71 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 0.00 124 K 9.42 4.87 0.00 1.64 1.72 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.53 7.81 125 L 8.72 4.32 0.00 1.41 1.75 0.99 0.97 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 0.00 126 T 8.89 4.35 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 1.26 0.00 0.00 127 D 8.16 5.36 0.00 2.58 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 0.00 128 L 9.07 4.77 0.00 1.94 1.66 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 129 F 9.26 5.05 0.00 3.09 3.04 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 0.00 130 V 8.21 4.20 1.80 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 0.73 0.00 0.00 0.81 0.00 0.00 131 D 8.19 4.68 0.00 1.86 1.54 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 0.00 132 A 8.74 3.95 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 0.00 133 G 8.64 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 0.00 134 V 7.44 3.59 2.09 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 0.78 0.00 0.00 1.02 0.00 0.00 135 G 9.04 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 0.00 136 G 7.66 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 0.00 0.00 0.00 137 E 8.36 4.11 0.00 2.01 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 0.00 2.28 2.29 0.00 138 K 8.36 4.96 0.00 1.60 1.45 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 139 Q 8.42 4.59 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 140 T 8.38 5.10 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 1.30 0.00 0.00 141 L 8.80 4.35 0.00 1.36 0.97 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.02 4.89 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 1.20 0.00 0.00 143 F 8.95 4.53 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.