NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 D 4.6330 8.2076 120.1948 54.4989 43.6179 177.3860 37 S 3.9460 7.7585 114.2414 60.6437 63.3760 174.6492 38 A 4.0087 8.0440 124.3565 54.8096 18.4107 180.1949 39 S 4.3692 7.6445 111.4607 60.4046 63.3215 176.6870 40 Q 3.9997 7.8686 121.9378 58.8858 28.4925 177.8729 41 A 4.0648 8.5993 121.0629 55.5623 18.5907 178.6988 42 E 3.9965 8.6226 117.1192 59.4377 29.4567 179.8076 43 Q 3.8314 8.2281 117.1915 58.9755 28.9448 179.6076 44 F 4.2211 8.3950 123.2070 60.8861 39.2448 177.3842 45 L 3.6752 8.1003 118.3292 57.4806 41.2937 179.0986 46 K 3.7237 7.9941 119.1586 59.4771 31.9577 178.2673 47 L 3.7442 7.9944 119.0580 57.7675 41.7832 179.3474 48 V 3.5728 7.1723 108.8098 60.2420 32.9804 175.3516 49 H 3.7525 7.9252 115.4674 56.9924 26.2279 176.3971 50 A 3.9119 7.9031 123.2821 54.9061 18.3550 179.1024 51 D 3.5593 6.8889 116.3072 55.6312 39.7316 177.9265 52 K 4.1012 7.4007 118.2362 57.2231 31.8183 178.6904 53 L 4.0712 7.6892 120.7443 57.7336 41.8322 178.8890 54 T 4.2193 8.0453 108.9453 63.7391 69.0486 176.7982 55 V 3.5019 7.4504 121.7183 65.9188 31.4009 176.2094 56 P 4.3337 0.0000 0.0000 65.1053 31.1070 178.6514 57 V 3.7573 8.2666 117.5844 65.7367 31.5682 177.3078 58 Y 3.9716 8.3692 115.8076 61.4194 37.7335 178.6780 59 A 4.1157 8.2093 121.1469 54.8117 18.2868 179.4332 60 Q 4.0022 7.6401 118.1465 59.0071 29.2078 178.1775 61 V 3.8221 7.7743 119.3200 64.2001 31.9700 178.2922 62 Q 4.1294 8.0105 119.3276 58.6247 28.8591 178.9100 63 Q 3.9892 8.0916 122.4864 56.2347 30.4125 179.1281 *65 L 4.1598 7.9707 118.0226 54.5396 43.8898 179.1460 66 A 4.0216 7.7809 119.8727 55.7264 18.0082 179.2571 67 Q 3.9541 8.7303 118.1686 59.4800 29.0787 178.4245 68 R 4.1262 7.8820 117.4608 57.7948 30.5749 178.0877 69 F 4.4194 8.2265 121.1812 60.8574 39.6030 177.4212 70 A 4.1409 8.3424 119.1223 54.8934 18.1534 179.2277 71 Q 4.0581 8.5192 116.3303 59.6313 29.2436 177.4553 72 A 4.2694 7.2350 118.9230 50.3206 20.4320 176.1611 73 K 3.5478 8.3741 117.0513 57.6410 32.4691 177.4456 74 A 4.0660 8.0207 130.6379 50.7092 19.3290 175.4690 75 P 4.4150 0.0000 0.0000 62.6644 32.2536 178.1527 76 E 4.3598 9.0493 124.1908 59.3361 29.5858 179.2272 77 S 4.3231 8.2283 112.0331 60.2609 63.2154 174.7527 78 K 4.7519 8.4231 121.7987 56.1127 32.7888 178.6288 79 K 3.9025 8.3348 121.5685 59.3005 31.8365 178.5370 80 A 4.2243 8.0054 120.1348 54.3749 18.4111 179.5835 81 V 3.8264 7.6403 111.0035 63.8232 32.0234 178.2409 82 L 3.9211 7.6240 119.6765 58.1772 41.9418 178.7703 83 E 3.9492 8.5500 118.9428 59.4019 29.2294 179.5598 84 R 3.8358 7.7819 117.8544 59.4440 29.9472 178.5412 85 Y 4.1807 7.9394 115.3624 60.1475 37.7340 177.4880 86 Q 4.1657 8.1562 118.2641 57.5792 28.8374 177.6504 87 A 4.2575 7.6975 121.6621 54.4493 18.8118 179.6375 88 K 3.9746 7.9262 116.8664 59.1037 32.1337 179.4790 89 A 4.0090 7.8594 121.1565 55.4179 18.3209 178.9231 90 N 4.2398 7.6630 114.5353 57.1217 38.5020 177.2809 91 A 4.0983 7.7542 121.0996 54.9999 18.8194 179.0090 92 E 4.0696 7.8196 118.2817 59.3264 29.8006 178.8474 93 L 3.9163 8.3066 119.4370 57.7695 41.7636 179.0383 94 D 4.9896 8.8840 120.4686 56.7266 40.4418 179.2184 95 R 4.0118 7.6343 117.4686 58.7577 30.2625 178.4308 96 A 4.3114 7.7613 119.2452 54.1275 18.8984 178.5723 97 I 4.6515 8.1609 108.4677 59.6832 38.6332 176.4086 98 G 4.3814 8.1752 108.5140 44.8496 0.0000 174.2473 99 W 4.6338 8.9823 130.6183 60.4715 30.4884 178.0222 100 D 4.1044 8.0671 117.7142 55.8725 38.9857 178.1186 101 K 4.0846 7.7641 119.4483 58.7011 32.0577 178.5692 102 I 4.0319 7.2345 119.2782 63.1167 37.5437 177.4853 103 K 3.0710 7.1232 120.7353 58.7256 31.7788 176.5072 104 P 4.1494 0.0000 0.0000 66.4466 30.6454 178.0264 105 E 4.0025 7.5861 116.5705 58.4402 29.5604 179.0375 106 L 4.1833 8.1102 120.7436 58.4096 42.2474 178.4850 107 I 3.7828 7.9577 119.0821 64.7089 37.1855 177.5177 108 K 3.8574 8.0033 119.4079 59.9544 31.7787 178.3454 109 L 3.9160 7.7011 118.9079 58.3381 42.2702 178.2184 110 Y 4.3223 7.9139 116.5515 61.0261 38.0268 177.8945 111 T 4.1193 8.5766 111.2043 64.7751 68.7602 176.3914 112 T 4.2429 7.7092 116.4519 64.8865 68.6986 174.8118 113 N 4.7111 7.5962 114.6049 52.4261 41.0490 174.5420 114 F 5.0034 8.0196 115.7121 55.0978 42.5249 175.6467 115 T 4.3753 9.3285 115.5034 61.0108 71.3832 175.4531 116 E 3.9817 8.5257 119.9583 59.3399 29.8455 178.0968 117 S 4.0892 8.0744 112.7116 61.5169 62.1454 175.7153 118 E 4.0224 7.9804 121.1879 59.6355 29.2473 179.4805 119 L 3.7931 7.9363 118.8791 57.4594 41.5570 179.5145 120 K 3.9868 8.1925 118.7206 59.7847 32.0237 179.0421 121 D 4.4030 8.0644 118.4719 57.0308 40.7460 178.8112 122 L 4.1732 7.6416 119.5198 57.9038 41.3719 179.2814 123 N 4.5203 8.8341 116.6657 56.3026 38.2705 177.3565 124 A 4.3642 7.9906 122.7184 54.4597 18.7741 179.2194 125 F 4.1292 8.8036 119.4539 61.7299 39.3914 176.6413 126 Y 4.1498 8.5115 113.3229 59.4234 37.9607 177.1876 127 Q 4.1770 8.3457 119.6848 57.0158 29.0349 176.3561 128 S 4.2609 7.0696 116.2864 57.7328 63.7535 173.3775 129 P 4.2049 0.0000 0.0000 66.0277 31.1111 178.7401 130 L 3.9146 7.9208 118.3477 57.9936 41.7666 178.9680 131 G 2.9087 7.1356 105.6900 47.3612 0.0000 175.7713 132 K 3.9819 8.0685 121.0787 58.7212 32.3011 178.9551 133 K 3.7637 8.0199 119.5531 59.7668 31.6889 178.3127 134 V 3.6034 7.5110 116.4286 66.1186 31.6419 177.6233 135 L 4.1875 7.8122 118.0096 57.3147 41.9029 177.4298 136 E 4.4069 7.8178 117.5231 56.9668 31.3061 176.2543 137 K 4.3260 8.0334 119.5492 56.3744 32.0136 176.4180 *139 P 4.3936 0.0000 0.0000 62.1403 34.2677 179.0604 140 R 3.8554 7.8779 117.1913 59.6441 29.8384 177.9010 141 L 4.3564 7.9281 117.5851 56.2290 42.5750 177.4471 142 T 4.3603 7.6323 108.0246 63.7052 69.9263 176.3726 143 A 4.2289 8.3482 123.7450 54.7093 17.9806 179.3560 144 E 4.0203 8.6286 117.9356 59.2950 29.4134 179.4279 145 S 4.0712 7.9228 114.6469 61.4376 63.1643 175.6201 146 A 4.0792 8.5988 123.9512 54.9631 17.6729 179.2829 147 Q 4.3540 8.0417 118.0944 58.4032 29.2936 179.4252 148 L 4.0227 7.3351 120.4717 57.7225 42.7353 178.6722 149 T 3.9645 8.5955 116.2695 66.3115 68.2395 176.5632 150 Q 3.9528 8.5746 122.1921 59.1372 28.6196 178.1090 151 A 4.0954 7.5675 121.3327 54.5660 18.3714 179.8405 152 K 3.8023 8.0746 116.9690 59.5489 32.3394 179.1011 153 L 3.8612 7.7344 120.3373 58.6480 41.7589 179.0511 154 Q 4.1825 7.8038 117.6073 58.7232 28.3483 178.3873 155 G 3.9068 7.8865 105.7618 45.8212 0.0000 173.6952 156 A 4.6862 8.1183 121.7924 51.1074 20.9903 179.4220 157 V 3.6625 7.5243 109.6443 64.3333 31.3984 178.3417 158 E 3.9416 8.0629 117.7945 59.1206 29.6265 177.4315 159 P 4.2221 0.0000 0.0000 65.3967 31.0734 178.9926 160 V 3.5229 7.5323 116.3985 66.1626 31.6315 177.1312 161 N 4.3601 7.9520 114.8589 56.4908 38.6544 176.9256 162 K 4.1420 8.3730 120.8143 59.3520 32.1416 180.5380 163 L 4.2497 7.4541 116.4463 54.9220 41.6463 178.1477 *165 A 4.3942 8.0706 124.0086 52.4892 19.6224 179.2819 166 D 4.4635 8.1037 114.9200 55.0589 40.3822 178.2130 *168 D 4.8249 8.1957 120.8077 54.4404 42.8355 177.3107 169 K 4.0763 7.7644 117.2179 59.4553 32.2602 176.8095 170 E 4.1506 7.5032 121.8880 56.6072 29.3014 176.5772 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 36 D 8.21 4.63 0.00 2.74 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 37 S 7.76 3.95 0.00 4.21 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 A 8.04 4.01 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 39 S 7.64 4.37 0.00 4.20 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 40 Q 7.87 4.00 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 41 A 8.60 4.06 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 42 E 8.62 4.00 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 43 Q 8.23 3.83 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 44 F 8.40 4.22 0.00 2.93 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 45 L 8.10 3.68 0.00 2.02 1.93 1.18 1.08 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 46 K 7.99 3.72 0.00 1.81 1.94 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 47 L 7.99 3.74 0.00 1.64 1.60 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.17 3.57 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 -0.49 0.00 0.00 0.09 0.00 0.00 49 H 7.93 3.75 0.00 3.19 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.90 3.91 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 51 D 6.89 3.56 0.00 2.00 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 52 K 7.40 4.10 0.00 1.83 1.77 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.47 7.81 53 L 7.69 4.07 0.00 1.77 1.78 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.05 4.22 4.66 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 1.40 0.00 0.00 55 V 7.45 3.50 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 0.99 0.00 0.00 0.84 0.00 0.00 56 P 0.00 4.33 0.00 2.23 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 57 V 8.27 3.76 2.14 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 0.99 0.00 0.00 0.98 0.00 0.00 58 Y 8.37 3.97 0.00 3.15 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 59 A 8.21 4.12 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 60 Q 7.64 4.00 0.00 2.04 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 61 V 7.77 3.82 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 0.82 0.00 0.00 0.90 0.00 0.00 62 Q 8.01 4.13 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.08 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 63 Q 8.09 3.99 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 *65 L 7.97 4.16 0.00 2.05 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.78 4.02 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 67 Q 8.73 3.95 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 68 R 7.88 4.13 0.00 1.83 1.97 0.00 3.39 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 69 F 8.23 4.42 0.00 3.10 3.19 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 70 A 8.34 4.14 1.45 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 0.00 0.00 71 Q 8.52 4.06 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 72 A 7.24 4.27 1.17 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 0.00 0.00 0.00 73 K 8.37 3.55 0.00 1.62 1.66 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.44 7.81 74 A 8.02 4.07 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 75 P 0.00 4.42 0.00 2.21 2.00 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 76 E 9.05 4.36 0.00 2.08 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 0.00 2.51 2.39 0.00 77 S 8.23 4.32 0.00 4.00 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 78 K 8.42 4.75 0.00 2.07 1.97 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.50 7.81 79 K 8.33 3.90 0.00 1.90 1.81 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 80 A 8.01 4.22 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 81 V 7.64 3.83 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 1.12 0.00 0.00 1.23 0.00 0.00 82 L 7.62 3.92 0.00 0.55 1.34 0.80 0.52 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 83 E 8.55 3.95 0.00 1.97 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 2.26 2.54 0.00 84 R 7.78 3.84 0.00 1.90 1.57 0.00 3.04 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 85 Y 7.94 4.18 0.00 3.15 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 86 Q 8.16 4.17 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 87 A 7.70 4.26 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 88 K 7.93 3.97 0.00 1.76 1.87 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 89 A 7.86 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 90 N 7.66 4.24 0.00 3.05 3.03 0.00 0.00 6.97 7.42 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 91 A 7.75 4.10 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 92 E 7.82 4.07 0.00 2.25 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 0.00 2.31 2.38 0.00 93 L 8.31 3.92 0.00 1.50 0.92 0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.88 4.99 0.00 2.94 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 95 R 7.63 4.01 0.00 2.14 1.99 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 96 A 7.76 4.31 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 97 I 8.16 4.65 1.97 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 1.29 0.96 0.94 0.00 0.00 98 G 8.18 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 0.00 0.00 0.00 0.00 99 W 8.98 4.63 0.00 3.40 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 0.00 100 D 8.07 4.10 0.00 2.79 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 0.00 101 K 7.76 4.08 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.79 7.81 102 I 7.23 4.03 1.96 0.00 0.00 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 1.61 0.93 1.12 0.00 0.00 103 K 7.12 3.07 0.00 0.79 1.03 0.00 1.79 0.00 0.00 1.11 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.16 1.21 7.81 104 P 0.00 4.15 0.00 2.23 2.25 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 105 E 7.59 4.00 0.00 2.09 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 0.00 2.31 2.44 0.00 106 L 8.11 4.18 0.00 2.09 1.88 1.05 1.43 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 0.00 107 I 7.96 3.78 2.08 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 1.63 0.72 0.98 0.00 0.00 108 K 8.00 3.86 0.00 1.87 2.00 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 109 L 7.70 3.92 0.00 1.62 1.76 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.91 4.32 0.00 3.27 3.12 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 0.00 111 T 8.58 4.12 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 1.31 0.00 0.00 112 T 7.71 4.24 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 1.16 0.00 0.00 113 N 7.60 4.71 0.00 2.65 2.09 0.00 0.00 6.73 7.33 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 0.00 114 F 8.02 5.00 0.00 3.20 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 0.00 115 T 9.33 4.38 4.28 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 1.23 0.00 0.00 116 E 8.53 3.98 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 117 S 8.07 4.09 0.00 3.94 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 0.00 118 E 7.98 4.02 0.00 2.21 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 2.46 2.43 0.00 119 L 7.94 3.79 0.00 1.85 1.65 1.03 0.80 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 0.00 120 K 8.19 3.99 0.00 2.12 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 121 D 8.06 4.40 0.00 2.72 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 0.00 122 L 7.64 4.17 0.00 1.71 1.80 -0.25 0.51 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 0.00 123 N 8.83 4.52 0.00 2.90 2.93 0.00 0.00 6.92 7.52 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 0.00 124 A 7.99 4.36 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 0.00 125 F 8.80 4.13 0.00 2.94 3.08 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 0.00 126 Y 8.51 4.15 0.00 3.17 2.93 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 0.00 0.00 0.00 127 Q 8.35 4.18 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 128 S 7.07 4.26 0.00 3.66 3.61 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 0.00 129 P 0.00 4.20 0.00 2.08 2.06 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 130 L 7.92 3.91 0.00 1.65 1.46 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.14 2.91 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 0.00 0.00 0.00 132 K 8.07 3.98 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 133 K 8.02 3.76 0.00 1.77 1.81 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 134 V 7.51 3.60 2.42 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 1.07 0.00 0.00 1.04 0.00 0.00 135 L 7.81 4.19 0.00 2.09 1.90 0.87 1.02 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 0.00 136 E 7.82 4.41 0.00 2.08 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 0.00 2.23 2.30 0.00 137 K 8.03 4.33 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.68 7.81 *139 P 0.00 4.39 0.00 2.21 2.05 0.00 3.57 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 2.01 2.09 0.00 140 R 7.88 3.86 0.00 1.87 2.03 0.00 3.17 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 141 L 7.93 4.36 0.00 1.79 1.68 0.93 0.77 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 0.00 142 T 7.63 4.36 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 1.24 0.00 0.00 143 A 8.35 4.23 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 0.00 144 E 8.63 4.02 0.00 2.08 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 2.33 2.44 0.00 145 S 7.92 4.07 0.00 3.87 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 0.00 146 A 8.60 4.08 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 0.00 147 Q 8.04 4.35 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 148 L 7.34 4.02 0.00 1.84 1.84 0.92 0.77 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 0.00 149 T 8.60 3.96 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 0.00 150 Q 8.57 3.95 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 151 A 7.57 4.10 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 0.00 152 K 8.07 3.80 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 153 L 7.73 3.86 0.00 1.96 1.95 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.80 4.18 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 155 G 7.89 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 0.00 0.00 0.00 156 A 8.12 4.69 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 0.00 157 V 7.52 3.66 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 0.83 0.00 0.00 0.97 0.00 0.00 158 E 8.06 3.94 0.00 2.01 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 2.40 2.40 0.00 159 P 0.00 4.22 0.00 2.15 2.11 0.00 3.65 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 2.12 2.15 0.00 160 V 7.53 3.52 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 0.83 0.00 0.00 0.96 0.00 0.00 161 N 7.95 4.36 0.00 2.92 2.90 0.00 0.00 7.09 7.17 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 0.00 162 K 8.37 4.14 0.00 1.80 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 163 L 7.45 4.25 0.00 1.86 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *165 A 8.07 4.39 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 0.00 166 D 8.10 4.46 0.00 2.94 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 *168 D 8.20 4.82 0.00 2.91 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 0.00 169 K 7.76 4.08 0.00 1.91 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.56 7.81 170 E 7.50 4.15 0.00 2.15 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 2.34 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.