NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6022 8.3649 120.5315 54.1641 42.2952 174.2392 3 I 4.3345 8.1812 124.1293 59.4243 38.9593 173.4811 4 R 4.4479 9.7058 127.1716 54.4943 33.1473 174.0854 5 Y 4.9209 8.2896 120.9912 56.2702 40.2373 175.0444 6 F 4.7888 9.3756 122.3853 55.8115 42.7477 175.6636 7 G 3.9581 8.8703 111.4061 46.9187 0.0000 173.8324 8 T 4.3203 8.0888 113.9758 62.7183 69.4853 174.9469 9 T 4.4758 8.4635 116.3243 58.6400 71.3018 173.4087 10 P 4.3126 0.0000 0.0000 64.6641 31.4331 177.4119 11 R 4.4800 7.2048 115.8698 57.3631 31.8222 175.0069 12 Y 4.8163 7.5068 113.4114 56.0806 41.2056 172.8267 13 S 5.0172 8.3985 116.4207 56.8299 65.0740 175.1085 14 E 4.0300 8.5039 123.9022 59.1464 30.3196 177.0587 15 A 5.1834 8.1763 119.4142 50.2997 23.2383 175.4660 16 V 4.9332 9.1383 120.2424 61.0844 35.4648 174.6104 17 G 4.7405 9.3685 113.7166 44.5620 0.0000 171.4221 18 A 4.9870 9.2701 125.1719 51.1516 23.1068 175.9190 19 N 4.2987 9.8612 121.5010 54.6121 37.7975 174.7193 20 G 4.2010 8.1536 107.0169 45.7470 0.0000 173.6796 21 L 4.6047 7.5259 118.8945 54.6988 43.3282 176.4126 22 I 5.1250 8.5886 122.2251 59.6776 41.3005 174.2457 23 F 5.0142 9.5362 126.3307 55.7190 40.9414 175.1020 24 L 4.8554 8.6118 124.4279 53.9494 42.6755 177.4161 25 S 4.2833 8.9374 118.3729 58.2369 63.6615 176.3502 26 G 4.3952 8.1649 108.4673 44.8631 0.0000 173.1411 *28 V 3.4721 7.9958 111.4983 59.9851 32.5132 173.6450 29 P 4.2710 0.0000 0.0000 63.0202 31.4531 176.4162 30 E 4.5230 9.3711 122.1869 56.7095 30.7481 175.5952 31 N 4.9468 7.8744 114.1671 52.3775 42.7794 174.9151 32 G 4.1436 8.9115 104.2245 46.2756 0.0000 172.7977 33 E 4.5059 9.2442 118.3201 57.7561 31.6313 178.1401 34 T 4.2845 7.8634 108.1507 60.6884 71.2201 174.9993 35 A 3.9768 8.6435 123.4103 55.6450 18.3932 180.0023 36 A 3.9326 8.1668 118.6464 55.3070 18.4886 179.7474 37 E 3.9281 8.1351 117.0557 59.7928 29.5568 179.7185 38 Q 4.1729 8.3081 118.1278 59.0471 28.7517 178.8095 39 T 3.7894 8.2032 116.8848 66.5804 68.6432 176.4408 40 A 3.9729 7.8166 122.1956 55.0896 18.3724 179.2652 41 D 4.1806 7.8091 116.0026 57.4926 41.3853 178.6339 42 V 3.4953 8.0526 119.1588 66.0546 31.5398 178.0269 43 L 3.4521 8.2101 118.8022 57.3317 41.3351 179.3747 44 A 4.0509 7.7661 120.5886 55.1438 18.2896 179.7344 45 Q 4.0031 8.0613 116.6160 59.0524 28.7026 178.8948 46 I 3.8748 7.8403 120.9011 64.5507 37.1605 178.0802 47 D 4.5142 8.2859 119.6518 57.5126 40.7079 179.1983 48 R 3.7527 7.8376 117.8795 59.1643 30.0833 179.2793 49 W 4.2207 8.1427 118.6417 59.6189 29.0349 178.5988 50 L 3.9885 8.4101 119.0433 57.8479 40.9451 179.4520 51 A 4.1512 8.0051 120.6227 55.2503 18.0602 179.5852 52 E 3.9673 7.8485 116.1924 59.2156 29.5925 178.3357 53 C 3.9276 7.5937 114.2956 58.8594 28.7185 173.7450 54 G 3.7710 7.8557 109.3876 46.6447 0.0000 173.2331 55 S 5.0248 8.3289 114.4534 56.4969 65.7057 171.2735 56 D 4.6614 7.9518 118.9540 51.9737 41.5947 175.9570 57 K 3.7873 8.4457 117.6137 59.2703 32.3075 177.4835 58 A 4.2028 7.6543 120.4347 52.9449 18.9318 177.0553 59 H 4.8067 8.3028 113.4009 55.1826 29.8934 173.1514 60 V 4.2335 7.7943 119.7247 62.6156 32.2451 175.5847 61 L 4.4104 8.9725 127.6287 56.8953 43.2670 176.3748 62 D 5.2880 7.8410 116.4483 52.8335 45.2747 174.1709 63 A 5.1128 9.1439 126.4910 50.5866 22.7528 174.8142 64 V 4.3355 8.8063 123.7237 61.3977 33.6861 174.5503 65 I 4.5642 8.5154 129.3849 59.8302 39.3201 174.0939 66 Y 5.1184 8.9861 126.1911 56.5192 39.7901 174.7722 67 L 5.1331 8.6055 124.3412 52.8354 44.1031 177.4069 68 R 4.0213 8.7815 124.7950 59.2998 30.7156 175.1896 69 D 5.1770 7.1309 116.0917 51.5751 44.0367 174.9295 *71 G 3.9193 8.5764 104.9646 45.6854 0.0000 173.1793 72 D 4.6652 8.1197 118.9460 54.4635 41.1087 177.3510 73 Y 4.2769 8.1543 120.4858 61.0229 39.1720 177.3185 74 A 3.9501 8.1815 121.6823 55.2890 18.4167 179.1797 75 E 3.9787 7.8996 111.9380 57.3987 29.3128 177.9325 *77 N 4.4695 8.2641 117.0693 52.9116 40.6332 176.8545 78 G 3.6742 8.0432 104.6234 47.9164 0.0000 175.9596 79 V 3.7406 7.4128 120.5782 65.2203 31.5672 177.8698 80 W 4.2624 8.2234 127.6142 60.8394 30.4640 177.3361 81 D 4.4011 8.7658 117.4345 57.5250 40.3481 178.5108 82 A 4.1567 7.6218 118.4886 53.9303 18.5301 178.8919 83 W 4.2764 7.5254 126.4520 58.9569 31.4407 177.4347 84 V 2.6856 6.8108 110.4655 60.9136 31.7078 175.7669 85 A 3.8474 7.7504 125.4243 51.1002 18.3425 177.1908 86 A 4.1149 8.2945 126.2383 54.1171 18.7930 178.0739 87 G 4.0419 8.9524 109.2627 45.9492 0.0000 173.7505 88 R 4.6620 7.6492 118.7363 55.6963 31.2924 175.5721 89 T 4.0653 7.9133 107.9163 60.7076 69.8194 172.5654 90 P 4.7619 0.0000 0.0000 61.6934 33.3184 175.3787 91 A 4.2704 8.5997 121.9408 52.2987 19.2296 176.7747 92 R 5.1643 8.4714 120.2360 54.7326 33.8719 174.0521 93 A 4.6848 8.5721 125.0505 50.4174 23.1269 174.6651 94 C 5.0435 8.5866 120.7357 57.7876 34.1809 173.3844 95 V 4.5193 8.3738 118.8041 59.3742 36.3430 174.3949 96 E 5.0443 8.6245 123.1021 55.3116 30.7242 174.7816 97 A 4.7380 8.8785 128.7832 50.3737 22.3670 176.1918 98 R 4.0286 8.7804 121.3987 56.2207 30.7967 175.9474 99 L 4.7323 8.0674 119.7043 52.4716 44.5712 177.3673 100 A 4.0122 8.7684 121.6842 54.4587 18.5590 177.9983 101 R 4.2940 6.3700 114.2396 53.2391 33.2353 174.8350 102 P 4.1976 0.0000 0.0000 65.8651 31.4146 177.9106 103 E 4.1053 7.8014 115.5961 58.0685 29.7196 176.8773 104 W 4.7328 7.7069 119.5198 56.8147 29.2454 176.1578 105 R 4.6961 9.7795 123.1703 56.6864 31.1916 176.6491 106 V 5.0654 7.5702 117.4306 60.3028 34.6168 173.5966 107 E 4.6646 9.5773 124.1598 54.5942 33.1791 173.8081 108 I 4.9015 8.5016 126.9955 59.4269 39.8065 174.5247 109 K 4.6141 9.1067 129.3065 54.7992 34.2150 174.8582 110 I 5.0893 8.4370 127.4238 59.8407 40.7327 174.4574 111 T 4.8768 9.1238 122.2416 61.8129 71.6499 173.0739 112 A 5.2136 9.0934 127.8483 50.0213 23.2159 174.3970 113 V 4.9146 8.2665 116.7995 59.9350 34.4939 176.0359 114 K 4.4470 8.3406 120.9200 56.0496 32.9868 177.2435 115 R 4.0824 8.0269 122.0135 55.9779 30.8614 176.7635 116 D 4.4876 8.5735 121.6959 54.7189 40.9306 176.2809 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 8.36 4.60 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 3 I 8.18 4.33 1.68 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 1.26 0.61 0.23 0.00 0.00 4 R 9.71 4.45 0.00 1.63 1.33 0.00 2.91 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 5 Y 8.29 4.92 0.00 2.74 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 6 F 9.38 4.79 0.00 3.01 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 7 G 8.87 3.96 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 0.00 0.00 0.00 8 T 8.09 4.32 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 1.06 0.00 0.00 9 T 8.46 4.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 10 P 0.00 4.31 0.00 2.03 2.14 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 11 R 7.20 4.48 0.00 1.87 2.10 0.00 3.51 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 12 Y 7.51 4.82 0.00 3.23 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 13 S 8.40 5.02 0.00 3.96 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 14 E 8.50 4.03 0.00 1.16 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 2.19 1.84 0.00 15 A 8.18 5.18 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 16 V 9.14 4.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.09 0.00 0.00 17 G 9.37 4.74 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 18 A 9.27 4.99 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 19 N 9.86 4.30 0.00 2.82 2.87 0.00 0.00 7.21 7.98 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 20 G 8.15 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.53 4.60 0.00 2.00 1.56 1.07 0.37 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 22 I 8.59 5.13 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.89 0.00 0.00 23 F 9.54 5.01 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.61 4.86 0.00 1.68 1.60 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.94 4.28 0.00 3.72 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 26 G 8.16 4.40 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 0.00 *28 V 8.00 3.47 0.67 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 0.43 0.00 0.00 0.23 0.00 0.00 29 P 0.00 4.27 0.00 1.87 1.90 0.00 2.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 30 E 9.37 4.52 0.00 1.99 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 2.27 2.18 0.00 31 N 7.87 4.95 0.00 2.77 2.66 0.00 0.00 7.13 7.65 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 32 G 8.91 4.14 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 0.00 0.00 0.00 33 E 9.24 4.51 0.00 2.03 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 2.27 2.23 0.00 34 T 7.86 4.28 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 1.23 0.00 0.00 35 A 8.64 3.98 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 36 A 8.17 3.93 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 37 E 8.14 3.93 0.00 2.21 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 0.00 2.34 2.36 0.00 38 Q 8.31 4.17 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 39 T 8.20 3.79 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 1.22 0.00 0.00 40 A 7.82 3.97 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 41 D 7.81 4.18 0.00 2.78 2.79 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 42 V 8.05 3.50 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 0.88 0.00 0.00 0.81 0.00 0.00 43 L 8.21 3.45 0.00 1.17 0.18 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.77 4.05 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 45 Q 8.06 4.00 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 46 I 7.84 3.87 1.95 0.00 0.00 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 1.59 0.75 1.13 0.00 0.00 47 D 8.29 4.51 0.00 2.99 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 48 R 7.84 3.75 0.00 1.78 1.54 0.00 2.93 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 49 W 8.14 4.22 0.00 3.47 3.23 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 50 L 8.41 3.99 0.00 1.92 1.64 1.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.01 4.15 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 52 E 7.85 3.97 0.00 2.14 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 2.17 2.19 0.00 53 C 7.59 3.93 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.86 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 0.00 0.00 0.00 55 S 8.33 5.02 0.00 3.71 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 56 D 7.95 4.66 0.00 2.83 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 57 K 8.45 3.79 0.00 0.79 1.61 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.07 0.89 7.81 58 A 7.65 4.20 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 59 H 8.30 4.81 0.00 3.28 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.79 4.23 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 0.98 0.00 0.00 1.09 0.00 0.00 61 L 8.97 4.41 0.00 1.67 1.66 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.84 5.29 0.00 2.75 2.43 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 63 A 9.14 5.11 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 V 8.81 4.34 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 0.34 0.00 0.00 0.87 0.00 0.00 65 I 8.52 4.56 1.60 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.05 0.77 0.00 0.00 66 Y 8.99 5.12 0.00 2.85 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 67 L 8.61 5.13 0.00 1.62 1.72 1.04 0.60 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 68 R 8.78 4.02 0.00 2.01 2.02 0.00 3.24 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 69 D 7.13 5.18 0.00 2.71 2.51 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 *71 G 8.58 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 72 D 8.12 4.67 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.15 4.28 0.00 2.78 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 74 A 8.18 3.95 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 75 E 7.90 3.98 0.00 2.06 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 2.32 2.29 0.00 *77 N 8.26 4.47 0.00 2.79 2.76 0.00 0.00 6.91 7.95 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 78 G 8.04 3.67 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 0.00 0.00 0.00 79 V 7.41 3.74 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 1.03 0.00 0.00 1.03 0.00 0.00 80 W 8.22 4.26 0.00 3.49 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 81 D 8.77 4.40 0.00 2.74 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 82 A 7.62 4.16 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 83 W 7.53 4.28 0.00 3.16 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 6.81 2.69 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 -0.26 0.00 0.00 0.74 0.00 0.00 85 A 7.75 3.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.11 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 87 G 8.95 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 88 R 7.65 4.66 0.00 1.63 1.75 0.00 3.07 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 89 T 7.91 4.07 4.32 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 1.22 0.00 0.00 90 P 0.00 4.76 0.00 2.24 2.38 0.00 3.95 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 2.41 2.26 0.00 91 A 8.60 4.27 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.47 5.16 0.00 1.84 1.71 0.00 2.21 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.00 93 A 8.57 4.68 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 94 C 8.59 5.04 0.00 2.86 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 95 V 8.37 4.52 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 0.64 0.00 0.00 0.96 0.00 0.00 96 E 8.62 5.04 0.00 2.03 1.83 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 2.48 2.36 0.00 97 A 8.88 4.74 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 98 R 8.78 4.03 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.07 4.73 0.00 1.93 1.88 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.77 4.01 1.26 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 0.00 0.00 101 R 6.37 4.29 0.00 0.67 1.24 0.00 3.08 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 102 P 0.00 4.20 0.00 1.95 2.06 0.00 3.44 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 103 E 7.80 4.11 0.00 2.04 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 2.32 2.35 0.00 104 W 7.71 4.73 0.00 3.41 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.78 4.70 0.00 1.76 2.01 0.00 3.34 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 106 V 7.57 5.07 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 0.61 0.00 0.00 0.92 0.00 0.00 107 E 9.58 4.66 0.00 2.03 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 0.00 2.29 2.23 0.00 108 I 8.50 4.90 1.86 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 1.16 0.75 0.96 0.00 0.00 109 K 9.11 4.61 0.00 2.00 1.78 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 110 I 8.44 5.09 1.95 0.00 0.00 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 1.44 1.06 0.99 0.00 0.00 111 T 9.12 4.88 4.12 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 0.62 0.00 0.00 112 A 9.09 5.21 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 0.00 113 V 8.27 4.91 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 0.80 0.00 0.00 0.97 0.00 0.00 114 K 8.34 4.45 0.00 1.71 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.56 7.81 115 R 8.03 4.08 0.00 1.65 1.79 0.00 3.08 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 1.18 1.36 0.00 116 D 8.57 4.49 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.