NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5296 8.1633 120.6191 55.5149 34.2915 173.6278 2 I 4.8074 8.2577 124.5713 59.4249 39.8296 173.2218 3 S 5.3758 9.9778 123.3267 56.8353 67.5409 172.5724 4 L 5.3113 8.7731 122.9088 53.1531 44.2867 175.2836 5 I 5.2252 8.8208 122.5080 59.3548 40.5704 174.2975 6 A 5.0427 9.2775 128.9907 50.5745 23.2014 174.4324 7 A 5.0081 8.7589 121.2270 50.2290 21.0499 175.9546 8 L 5.0289 9.1078 122.7525 53.2864 45.3820 176.8748 9 A 4.7636 9.0000 125.0392 50.5117 21.7709 176.9285 10 V 3.7731 8.4894 110.5681 63.4171 31.9644 176.8664 11 D 4.4594 9.2548 120.9891 55.1044 38.1339 174.2359 12 R 4.0318 8.0623 115.5518 57.1462 28.3139 176.0403 13 V 4.3294 7.5393 118.5551 63.0041 32.5085 174.9568 14 I 5.0915 8.4144 120.0577 58.5862 40.8949 175.2868 15 G 3.6534 8.8302 109.7617 47.1277 0.0000 172.1335 16 M 4.5862 8.7161 119.1317 56.3583 34.3138 175.7299 17 E 4.5478 7.8728 114.5876 57.6740 33.5336 175.3408 18 N 4.5267 7.9008 113.7879 52.2306 39.4209 174.9027 19 A 3.9988 8.1527 123.3964 52.4069 19.0860 177.6885 20 M 3.7648 7.8155 120.6037 54.3458 32.9330 175.9726 21 P 4.5090 0.0000 0.0000 60.6008 30.0100 174.9249 22 W 5.0896 6.8585 116.4329 56.2021 31.3287 174.8817 23 N 4.9680 9.4319 117.7080 52.0757 39.6714 172.6065 24 L 5.2568 8.0436 125.9906 50.9121 42.5151 175.5269 25 P 4.2724 0.0000 0.0000 65.6937 31.5674 178.4674 26 A 4.0718 8.3507 120.4912 54.6974 18.2029 179.2713 27 E 4.0379 7.6490 117.7164 59.4819 29.8216 178.8398 28 L 4.1448 8.0181 118.7759 57.5506 41.5075 179.3887 29 A 4.0862 8.0051 121.0542 54.7319 18.3103 179.4320 30 W 3.9518 8.1807 126.5086 60.4608 30.6103 177.9000 31 F 3.9389 8.4700 120.6208 61.1446 38.8416 177.0293 32 K 3.7466 8.5967 119.5723 59.5017 31.8349 178.6396 33 R 3.7145 7.8312 117.9563 59.3487 30.0219 177.5616 34 N 4.1295 7.3396 114.0239 54.0756 38.8422 175.6530 35 T 4.0547 6.7838 109.4357 60.8897 70.5793 174.2280 36 L 3.8060 7.3134 124.4451 56.6531 42.3525 176.0686 37 D 4.5801 8.7952 123.5333 55.0422 38.4008 173.6015 38 K 4.8116 7.4923 117.4664 53.7600 37.0202 173.9252 39 P 4.6372 0.0000 0.0000 62.8065 33.0854 175.3688 40 V 4.8791 8.7500 115.3018 59.6658 35.3617 174.4532 41 I 4.9382 8.5380 125.8979 59.7285 39.6990 174.6538 42 M 5.1134 8.7706 122.8966 53.8914 35.6184 174.5872 43 G 4.3400 8.7406 107.8520 45.0893 0.0000 174.9034 44 R 4.2362 8.6307 118.5345 59.7624 29.9608 178.0960 45 H 4.2697 8.1698 115.6884 59.0433 28.8277 177.6875 46 T 3.8842 7.9608 117.1453 66.3142 68.3571 176.1209 47 W 4.3591 8.1804 130.0185 60.8069 30.4768 177.8981 48 E 3.6850 8.0687 117.1559 59.4166 28.9366 179.2760 49 S 4.1890 7.8885 114.4240 61.2539 62.8718 176.5723 50 I 3.7907 7.4269 122.1860 63.3124 37.1049 177.6859 51 G 3.6224 8.8905 105.7948 44.8195 0.0000 172.6905 52 R 4.2099 6.4120 113.0157 54.5173 31.5015 172.5454 53 P 4.8001 0.0000 0.0000 62.4615 32.1632 176.5365 54 L 4.2628 9.4353 123.6918 53.7235 42.1841 175.2744 55 P 4.4053 0.0000 0.0000 63.7362 32.0366 176.7988 56 G 3.9405 9.0186 108.7470 45.8458 0.0000 172.9018 57 R 4.9240 7.2966 116.0994 53.9220 34.5831 174.8597 58 K 4.2009 8.2462 122.6068 55.8457 33.4748 175.3118 59 N 4.9430 8.6296 125.9183 52.2459 40.3321 174.1065 60 I 4.6771 8.5131 125.1683 59.3769 40.5138 174.5865 61 I 4.5396 8.4368 128.4350 59.3542 38.8228 174.5077 62 L 4.9770 8.6730 130.6926 54.2989 42.9873 175.1468 63 S 4.6739 9.0973 120.3253 57.7478 65.8112 175.3386 64 S 4.3101 8.8845 119.8465 60.0735 63.2099 174.3729 65 Q 4.4389 7.5884 121.2368 54.2854 30.6573 173.4549 *66 P 4.6427 0.0000 0.0000 60.6051 31.9196 172.6030 67 G 2.0000 7.7210 111.5765 45.6336 0.0000 174.5447 68 T 3.7150 6.4980 118.1071 62.6969 68.9454 171.4400 69 D 4.9959 8.1484 121.6295 52.8711 42.4571 176.2242 70 D 4.7076 8.6756 124.3585 54.7437 40.1275 177.3272 71 R 4.1769 9.3161 119.3493 57.6401 30.3281 175.8612 72 V 4.4282 7.2491 109.6602 59.6784 36.1736 174.5577 73 T 4.4253 8.4224 118.5445 61.9814 70.2363 174.1374 74 W 4.9697 8.7532 126.5178 55.3768 30.4654 176.0706 75 V 4.6743 9.2873 120.5319 60.2808 34.8181 177.2606 76 K 4.8902 9.1720 122.2114 54.0489 33.1776 177.8388 77 S 4.7826 7.4786 109.0308 56.3934 67.4217 174.9723 78 V 3.5711 8.3030 121.9711 66.4077 31.1949 177.8871 79 D 4.3695 8.0461 117.8543 57.6407 40.7095 178.5555 80 E 3.9997 8.3816 118.6833 59.2351 29.1806 179.3425 81 A 4.0093 7.9931 119.9242 55.2512 18.8387 179.3608 82 I 3.8532 8.0695 118.1306 64.5363 37.3152 178.3873 83 A 3.9966 8.0859 121.2621 55.2915 18.0450 179.4989 84 A 4.0776 8.0009 117.3343 54.8682 18.4339 179.0895 85 C 4.2128 7.9827 114.7993 62.2818 28.7473 175.3009 86 G 3.6880 8.1613 107.7465 44.9165 0.0000 172.9450 87 D 4.7180 8.4842 120.1136 52.5446 40.9240 176.5977 88 V 4.5945 7.7025 117.7201 58.3612 35.3508 174.6280 89 P 4.3998 0.0000 0.0000 65.2942 31.4641 177.0114 90 E 4.9223 7.8050 117.5816 54.8416 32.7541 174.3258 91 I 4.4235 8.8989 128.0483 59.9187 39.7558 174.2954 92 M 4.7440 8.6542 126.8410 53.7616 34.1810 175.0655 93 V 4.4038 9.0562 124.7210 61.0843 33.2804 175.6419 94 I 4.7661 8.9337 121.3638 60.8843 38.5579 175.4702 95 G 2.9375 8.0003 109.3214 44.5145 0.0000 172.7538 96 G 4.0692 8.1758 106.0540 44.0027 0.0000 173.5977 97 G 4.1009 8.8917 106.0960 48.7745 0.0000 175.7052 98 R 4.0274 7.9757 120.4163 58.3844 30.2399 179.3829 99 V 3.7002 7.6601 117.7426 66.2910 31.7083 177.5067 100 Y 4.4727 8.0289 116.7816 61.2808 37.4416 178.5085 101 E 4.1202 8.2236 118.6181 59.6084 29.6282 179.1773 102 Q 4.0589 8.0739 117.1932 58.3242 29.0808 177.8225 103 F 4.5646 8.3174 117.2981 58.1871 39.6008 177.6584 104 L 4.1229 8.1933 120.9166 58.0491 41.5812 177.0334 105 P 4.3663 0.0000 0.0000 65.3920 31.3847 177.8175 106 K 4.3297 7.9857 114.1096 55.9473 32.8357 176.9982 107 A 4.6506 7.5878 123.1303 52.1701 19.2002 176.9599 108 Q 4.6539 9.2301 121.6319 56.1280 31.5746 174.9084 109 K 5.4131 8.1869 118.6482 55.2955 36.3477 174.3943 110 L 5.1999 8.9332 124.6484 53.1320 45.6104 175.0538 111 Y 5.0488 9.3129 121.8819 56.5263 40.0839 174.6520 112 L 5.1901 9.6056 125.1677 53.0104 45.6617 175.9126 113 T 4.8760 8.6180 119.1820 62.2007 71.2246 172.7906 114 H 5.0777 9.2092 124.8329 54.3645 30.5633 174.1282 115 I 4.6179 8.3965 124.9756 59.0540 39.0359 176.7896 116 D 4.8512 8.4543 128.1637 53.3022 38.3876 175.6040 117 A 4.7719 7.6057 120.8880 50.1522 23.3303 175.9701 118 E 4.6613 9.0129 122.2707 54.8988 30.2027 175.7863 119 V 4.4522 8.1304 123.2427 60.7160 34.4090 174.5496 120 E 4.3302 8.7726 126.2406 55.8143 30.1568 176.2480 121 G 4.2147 8.1376 110.7741 44.7043 0.0000 172.6678 122 D 4.5216 8.6672 120.6982 56.9824 41.6653 177.5748 123 T 4.4648 7.6296 115.4446 63.3930 69.8670 173.8083 124 H 5.5601 8.6481 121.3243 53.5858 32.8524 173.0993 125 F 4.3943 9.2453 124.1662 57.4995 39.8225 173.5146 126 P 4.2968 0.0000 0.0000 62.5409 31.7692 175.6159 127 D 4.4875 8.6366 121.0847 54.2966 41.6428 175.0320 128 Y 4.8984 8.1253 124.2255 55.2448 40.2523 175.6813 129 E 4.3415 8.9149 124.1759 54.3039 28.3688 175.0791 130 P 4.7189 0.0000 0.0000 64.8348 31.7750 177.4247 131 D 4.8817 8.1017 115.7304 53.3658 40.5633 180.9852 132 D 5.0068 8.9771 118.2378 54.8449 42.5830 175.8195 133 W 5.6968 7.9416 117.9540 55.1331 33.5140 173.7348 134 E 4.6094 9.5066 126.1840 54.5307 30.7883 174.7718 135 S 4.7337 8.8737 122.9447 58.5325 62.5328 173.5597 136 V 4.4580 8.9614 126.6721 63.0963 33.4611 175.1120 137 F 5.0203 8.0131 121.0109 57.5637 42.8779 172.7247 138 S 4.7883 7.3879 118.4817 57.1450 65.5415 173.1767 139 E 4.3040 9.0424 128.6567 55.0369 32.5865 173.5434 140 F 4.6210 8.6280 129.6801 57.6211 41.0961 174.4381 141 H 4.3563 6.9089 120.8862 53.8085 32.7246 173.0072 142 D 4.7100 8.2967 121.6579 53.2347 42.0975 175.9376 143 A 4.5082 8.3007 121.9618 52.7063 19.1573 176.7019 144 D 4.4936 8.7195 116.8641 52.6061 41.9504 175.7594 145 A 3.7509 8.7118 120.7446 54.9476 18.3840 178.4131 146 Q 4.5163 7.7702 112.2385 55.5941 30.6795 175.2256 147 N 5.1933 8.4695 116.8413 51.0581 40.4233 175.7729 148 S 4.1756 8.8232 119.0193 60.9323 63.3963 173.4957 149 H 5.0180 7.6830 115.8153 53.9315 33.1672 173.1835 150 S 4.4165 8.5912 115.5440 58.8380 64.1914 173.1510 151 Y 5.0159 7.2546 119.7790 55.6360 41.9681 173.3360 152 C 4.7516 8.8014 121.0809 57.5938 34.8168 172.9159 153 F 4.8523 8.4019 125.7841 57.1460 40.0560 174.4634 154 E 5.3034 9.6236 123.2314 54.8066 33.6345 173.7613 155 I 5.1013 8.8748 126.1570 59.5557 40.7705 174.5026 156 L 5.4439 8.9694 125.7183 53.0206 45.8793 175.2399 157 E 5.3125 9.2549 121.6850 54.3915 32.8794 175.3474 158 R 3.5157 8.8503 125.4516 55.8383 30.6104 176.4732 159 R 4.2169 7.9311 122.5549 56.2261 29.1912 175.8299 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 8.16 4.53 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 2 I 8.26 4.81 2.18 0.00 0.00 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 1.43 0.85 1.06 0.00 0.00 3 S 9.98 5.38 0.00 3.84 4.10 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 4 L 8.77 5.31 0.00 1.79 1.73 1.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.82 5.23 1.76 0.00 0.00 0.57 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 1.27 0.96 0.00 0.00 6 A 9.28 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.76 5.01 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 8 L 9.11 5.03 0.00 1.53 1.60 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.00 4.76 1.60 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 0.00 0.00 10 V 8.49 3.77 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 0.84 0.00 0.00 0.98 0.00 0.00 11 D 9.25 4.46 0.00 2.92 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 12 R 8.06 4.03 0.00 2.27 2.25 0.00 3.31 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 13 V 7.54 4.33 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 0.96 0.00 0.00 0.98 0.00 0.00 14 I 8.41 5.09 2.11 0.00 0.00 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 1.34 0.99 1.27 0.00 0.00 15 G 8.83 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.72 4.59 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 17 E 7.87 4.55 0.00 1.82 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 2.17 2.35 0.00 18 N 7.90 4.53 0.00 2.69 2.66 0.00 0.00 6.85 7.35 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 19 A 8.15 4.00 1.12 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 20 M 7.82 3.76 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 21 P 0.00 4.51 0.00 2.15 2.00 0.00 3.27 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 22 W 6.86 5.09 0.00 3.28 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 23 N 9.43 4.97 0.00 2.82 2.77 0.00 0.00 7.31 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 24 L 8.04 5.26 0.00 1.45 1.07 -0.01 0.82 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 25 P 0.00 4.27 0.00 2.26 2.32 0.00 3.96 0.00 0.00 3.94 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 26 A 8.35 4.07 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 27 E 7.65 4.04 0.00 1.54 1.95 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 2.23 2.00 0.00 28 L 8.02 4.14 0.00 1.95 1.76 0.92 0.85 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 29 A 8.01 4.09 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 30 W 8.18 3.95 0.00 2.97 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 31 F 8.47 3.94 0.00 3.27 3.21 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 32 K 8.60 3.75 0.00 1.94 1.93 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 33 R 7.83 3.71 0.00 1.75 1.90 0.00 3.07 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 34 N 7.34 4.13 0.00 1.96 1.86 0.00 0.00 6.88 7.58 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 35 T 6.78 4.05 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 0.42 0.00 0.00 36 L 7.31 3.81 0.00 1.69 1.48 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.80 4.58 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.81 0.00 1.58 1.51 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.40 7.81 39 P 0.00 4.64 0.00 2.12 2.10 0.00 3.42 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 40 V 8.75 4.88 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 0.58 0.00 0.00 0.97 0.00 0.00 41 I 8.54 4.94 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.80 0.00 0.00 42 M 8.77 5.11 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 43 G 8.74 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 0.00 0.00 0.00 0.00 44 R 8.63 4.24 0.00 2.09 1.97 0.00 3.49 0.00 0.00 3.74 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 45 H 8.17 4.27 0.00 3.32 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.96 3.88 4.44 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 1.23 0.00 0.00 47 W 8.18 4.36 0.00 3.33 3.29 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 48 E 8.07 3.69 0.00 2.09 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 2.74 2.54 0.00 49 S 7.89 4.19 0.00 3.93 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 50 I 7.43 3.79 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.89 0.00 0.00 51 G 8.89 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 6.41 4.21 0.00 1.85 1.78 0.00 3.04 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 53 P 0.00 4.80 0.00 2.16 2.14 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 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0.94 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 63 S 9.10 4.67 0.00 4.03 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 64 S 8.88 4.31 0.00 3.92 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 65 Q 7.59 4.44 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 *66 P 0.00 4.64 0.00 2.08 1.82 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 67 G 7.72 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.50 3.71 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 69 D 8.15 5.00 0.00 3.03 2.95 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 70 D 8.68 4.71 0.00 2.87 2.82 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 71 R 9.32 4.18 0.00 1.97 2.08 0.00 3.18 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 72 V 7.25 4.43 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.17 0.00 0.00 73 T 8.42 4.43 4.10 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 1.18 0.00 0.00 74 W 8.75 4.97 0.00 3.11 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 75 V 9.29 4.67 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 0.73 0.00 0.00 0.95 0.00 0.00 76 K 9.17 4.89 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.18 7.81 77 S 7.48 4.78 0.00 4.04 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 78 V 8.30 3.57 1.90 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 0.73 0.00 0.00 0.39 0.00 0.00 79 D 8.05 4.37 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.00 0.00 2.24 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 2.35 0.00 81 A 7.99 4.01 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 82 I 8.07 3.85 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.97 0.00 0.00 83 A 8.09 4.00 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 84 A 8.00 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 85 C 7.98 4.21 0.00 3.14 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 86 G 8.16 3.69 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 0.00 0.00 0.00 87 D 8.48 4.72 0.00 2.62 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 88 V 7.70 4.59 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 0.91 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 90 E 7.81 4.92 0.00 1.92 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 0.00 2.17 2.39 0.00 91 I 8.90 4.42 1.86 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 1.20 0.59 0.81 0.00 0.00 92 M 8.65 4.74 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 93 V 9.06 4.40 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 0.80 0.00 0.00 0.27 0.00 0.00 94 I 8.93 4.77 2.18 0.00 0.00 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 1.34 0.85 1.00 0.00 0.00 95 G 8.00 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.18 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.89 4.10 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 0.00 98 R 7.98 4.03 0.00 1.87 2.03 0.00 3.51 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 99 V 7.66 3.70 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 1.15 0.00 0.00 0.99 0.00 0.00 100 Y 8.03 4.47 0.00 3.08 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 0.00 101 E 8.22 4.12 0.00 2.17 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 2.36 2.48 0.00 102 Q 8.07 4.06 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 103 F 8.32 4.56 0.00 3.22 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 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1.35 1.15 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.62 4.88 4.19 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 0.97 0.00 0.00 114 H 9.21 5.08 0.00 2.97 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.40 4.62 1.50 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.20 0.40 0.00 0.00 116 D 8.45 4.85 0.00 2.61 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 0.00 117 A 7.61 4.77 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 0.00 118 E 9.01 4.66 0.00 2.01 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 2.30 2.32 0.00 119 V 8.13 4.45 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 0.79 0.00 0.00 1.01 0.00 0.00 120 E 8.77 4.33 0.00 2.00 1.88 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 2.31 2.31 0.00 121 G 8.14 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 0.00 122 D 8.67 4.52 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 123 T 7.63 4.46 4.27 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 1.29 0.00 0.00 124 H 8.65 5.56 0.00 3.07 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.25 4.39 0.00 3.04 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 0.00 126 P 0.00 4.30 0.00 1.91 1.92 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 127 D 8.64 4.49 0.00 2.65 2.62 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 0.00 0.00 0.00 0.00 128 Y 8.13 4.90 0.00 3.01 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 0.00 129 E 8.91 4.34 0.00 2.32 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 2.36 1.89 0.00 130 P 0.00 4.72 0.00 2.14 2.36 0.00 3.64 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 131 D 8.10 4.88 0.00 2.68 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 0.00 132 D 8.98 5.01 0.00 2.92 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 0.00 133 W 7.94 5.70 0.00 3.26 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 0.00 134 E 9.51 4.61 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 2.29 2.29 0.00 135 S 8.87 4.73 0.00 4.08 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 0.00 136 V 8.96 4.46 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 0.88 0.00 0.00 0.99 0.00 0.00 137 F 8.01 5.02 0.00 3.22 2.92 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 0.00 138 S 7.39 4.79 0.00 3.78 3.51 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 0.00 139 E 9.04 4.30 0.00 1.52 1.72 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 2.10 2.23 0.00 140 F 8.63 4.62 0.00 2.90 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 0.00 141 H 6.91 4.36 0.00 1.40 2.28 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.30 4.71 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.51 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 0.00 144 D 8.72 4.49 0.00 2.88 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 0.00 145 A 8.71 3.75 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 0.00 146 Q 7.77 4.52 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 147 N 8.47 5.19 0.00 2.90 2.74 0.00 0.00 6.59 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 0.00 148 S 8.82 4.18 0.00 4.00 4.07 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 0.00 0.00 0.00 149 H 7.68 5.02 0.00 2.91 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.59 4.42 0.00 3.92 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.25 5.02 0.00 2.52 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 0.00 152 C 8.80 4.75 0.00 2.97 2.75 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 0.00 0.00 0.00 0.00 153 F 8.40 4.85 0.00 2.74 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 0.00 0.00 0.00 154 E 9.62 5.30 0.00 2.01 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 2.25 2.53 0.00 155 I 8.87 5.10 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 0.63 0.00 0.00 156 L 8.97 5.44 0.00 1.47 1.71 0.69 0.94 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 0.00 157 E 9.25 5.31 0.00 1.94 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 2.25 2.26 0.00 158 R 8.85 3.52 0.00 0.67 1.46 0.00 3.11 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.00 159 R 7.93 4.22 0.00 2.05 1.81 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.