NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5112 8.1749 117.3744 63.5733 70.0736 173.1315 2 S 4.5580 9.3925 121.0668 55.2697 66.6556 171.6062 3 I 5.2714 8.1730 118.0062 59.7269 41.2235 173.8794 4 M 4.8670 8.8052 119.2963 54.4716 34.8612 173.1755 5 A 5.1614 8.4599 120.9552 50.2879 22.4443 175.5607 6 V 4.5170 9.0756 122.2428 61.1949 34.6444 175.0364 7 T 4.8107 8.7315 118.2019 61.1593 70.2567 173.6120 8 F 4.9081 8.8296 117.6741 55.3185 41.2405 174.7315 9 K 3.7575 9.0637 121.1292 60.0061 31.5581 176.9468 10 D 4.6106 7.8583 114.1358 53.7346 42.5660 176.6668 11 G 4.3122 5.3800 111.6272 44.8682 0.0000 176.0413 12 V 5.1269 7.9007 120.7305 60.2367 33.8669 172.6644 13 I 4.6696 9.0174 122.7034 59.6025 40.5419 174.3725 14 L 5.1530 8.5379 125.3164 53.1323 44.1501 175.9575 15 G 4.3455 9.1043 108.5856 45.0961 0.0000 171.0401 16 A 5.1626 8.1838 120.3780 51.0140 22.1334 175.7539 17 D 4.7748 8.5615 120.6203 52.2059 41.7852 176.1725 18 S 4.9579 8.3105 110.2472 57.1249 64.2229 172.9223 19 R 5.0784 8.7690 121.3841 55.6835 31.7208 175.1962 20 T 4.7895 8.8410 116.4515 60.0276 71.3961 172.9658 21 T 5.1273 8.6565 115.5312 60.0505 71.9791 174.1952 22 T 4.4983 8.6287 113.4697 59.9140 69.6899 175.4942 23 G 3.9926 8.2277 122.4056 46.9193 0.0000 173.7534 24 A 4.2999 8.6135 126.8188 52.8893 19.4100 177.0458 25 Y 4.3236 7.8118 117.9222 56.9649 39.5841 174.4839 26 I 4.2899 7.2937 127.7205 59.7003 36.6863 175.4392 27 A 4.0757 8.2299 130.2164 54.4798 18.6718 177.6313 28 N 4.8412 7.8535 113.7907 52.4554 41.9141 174.6124 29 R 4.5913 8.6052 120.6269 56.2513 30.3898 176.2467 30 V 4.5890 8.2050 112.6502 61.4452 32.1673 176.2579 31 T 3.9865 8.4269 117.1192 63.9317 69.8124 173.6607 32 D 4.7319 8.6246 124.7452 52.7648 41.9126 175.5163 33 K 4.3999 8.6241 123.9182 56.5343 33.5672 176.0647 34 L 4.9244 8.0720 121.1555 53.7373 42.7503 175.9855 35 T 4.5900 8.8866 121.4012 61.4993 71.5379 173.8075 36 R 3.1997 7.8073 126.1148 55.1310 30.5852 176.2055 37 V 4.2176 7.5166 117.1440 61.2681 33.4943 174.7252 38 H 4.4605 7.6466 117.3978 55.2219 32.4501 173.8866 39 D 4.5366 8.4585 123.5740 57.2028 40.7282 179.6732 40 K 5.0173 8.1810 117.1768 56.1147 34.0066 175.6679 41 I 5.1777 8.4271 121.2044 59.8853 40.8725 174.7912 42 W 5.2967 9.7492 127.2342 54.8909 33.4105 174.1266 43 C 5.2999 9.4767 114.5930 57.2277 33.2339 172.6057 44 C 5.2742 9.2716 117.8854 58.1984 30.2875 173.0867 45 R 5.0817 8.5220 123.0002 54.5664 31.9660 175.7597 46 S 4.5702 8.8343 116.4277 56.7804 66.8428 173.7224 47 G 4.1077 8.9749 105.7285 44.4157 0.0000 175.2809 48 S 4.2598 9.6792 120.2984 57.5220 63.1120 174.7305 49 A 3.9775 8.8268 129.6158 55.1988 18.2682 179.3943 50 A 3.9596 7.9488 118.8116 55.3831 18.4504 179.4568 51 D 4.2874 8.4666 117.9360 57.8480 40.9707 179.1891 52 T 3.9448 8.1847 110.4199 64.7836 68.6133 176.5532 53 Q 3.9330 8.2644 120.5965 58.8357 28.8303 178.3039 54 A 3.9989 7.9449 121.7085 55.3048 18.2770 179.7137 55 I 3.5763 8.1079 118.0328 64.4427 37.2440 178.2195 56 A 4.0026 8.4452 121.8753 55.5731 18.2514 179.1682 57 D 4.3413 8.6581 117.3763 57.9155 40.8436 179.4841 58 I 3.8420 7.7910 120.0567 64.1618 37.0571 178.6781 59 V 3.3870 7.9511 119.5954 65.8711 31.2785 177.7538 60 Q 4.0764 8.3604 119.7163 59.3553 28.8581 177.6404 61 Y 4.0790 8.0355 120.3507 61.1399 38.7758 177.8539 62 H 3.7504 8.4458 117.2273 58.9089 28.7766 177.9034 63 L 4.0107 8.3631 120.8218 57.2255 41.3683 179.2638 64 E 3.9125 8.1231 119.8533 59.1835 29.1878 178.5574 65 L 3.8481 7.6474 120.3918 57.8170 41.9340 178.3147 66 Y 3.8695 8.0685 119.8741 60.9093 38.5938 177.9523 67 T 4.4885 7.9151 116.6662 66.4622 68.7110 176.2619 68 S 4.1535 7.7941 115.3477 61.2137 62.8143 176.0886 69 Q 4.0633 6.9362 118.2375 56.8654 29.4509 176.2410 70 Y 4.4207 7.4144 115.3002 57.8309 39.0061 175.4448 *72 G 4.0556 7.5099 108.9680 45.1712 0.0000 172.1654 73 T 4.1800 8.5728 115.2000 63.6366 68.7070 172.4446 74 P 4.5214 0.0000 0.0000 61.7422 32.8338 176.6220 75 S 4.3719 8.1040 115.0810 58.3592 65.1830 175.4027 76 T 3.8780 8.3865 119.8119 66.8305 68.1670 176.4561 77 E 3.9336 8.0688 120.7659 59.6210 29.7930 178.8434 78 T 3.8000 7.9752 115.6204 66.4083 68.4057 176.5484 79 A 3.9107 7.9960 122.5420 55.1829 18.4002 179.6182 80 A 4.1629 8.2572 119.2593 55.2090 18.2767 179.8557 81 S 4.0475 8.0404 112.1249 61.4362 62.4491 176.5213 82 V 3.5428 7.7882 121.0088 65.7743 31.1752 178.0510 83 F 3.9946 8.2550 117.6282 60.3407 38.7780 177.3171 84 K 3.9330 8.4200 119.3857 59.6342 31.9910 177.8915 85 E 3.9923 8.4691 119.8258 59.6462 29.2845 179.0029 86 L 4.0087 7.7716 118.0348 58.1735 41.5049 179.4356 87 C 4.2415 8.1816 115.5020 62.7262 28.3753 175.3997 88 Y 4.2621 8.8166 121.5429 60.8189 38.3525 177.4143 89 E 3.8818 8.2098 118.8702 58.3031 30.2183 176.7837 90 N 5.0417 7.8072 116.4787 52.3663 39.4385 176.4876 91 K 4.0357 7.6994 120.3763 60.2166 32.7222 177.9414 92 D 4.2873 7.9333 118.7440 57.0512 40.9249 177.4226 *94 N 5.1317 7.8887 113.2201 52.4729 40.2108 173.7232 95 L 5.0541 7.4916 116.4368 53.3141 45.0199 176.7796 96 T 4.6565 8.6971 117.5424 61.5115 70.3943 171.4522 97 A 4.9602 8.3874 125.4869 50.0575 22.4696 175.2426 98 G 4.0735 9.1520 111.0951 43.9747 0.0000 172.0208 99 I 5.0013 8.2847 126.8542 59.0189 40.2303 175.2585 100 I 4.3138 8.4208 127.3177 59.6230 39.1683 174.6046 101 V 4.5923 8.2771 126.9643 61.1481 33.2379 174.7407 102 A 4.7886 9.3264 129.2423 50.3567 22.2979 175.0437 103 G 4.6335 8.7064 107.7800 44.4227 0.0000 171.1133 104 Y 4.6609 9.0542 122.3958 55.5332 40.7179 175.2106 105 D 4.2562 7.8760 125.0556 54.1623 41.4706 175.4668 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 T 8.17 4.51 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 2 S 9.39 4.56 0.00 3.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 5.27 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.92 0.00 0.00 4 M 8.81 4.87 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.46 5.16 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 6 V 9.08 4.52 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 1.07 0.00 0.00 0.93 0.00 0.00 7 T 8.73 4.81 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 8 F 8.83 4.91 0.00 3.23 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 9 K 9.06 3.76 0.00 1.81 2.08 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.53 7.81 10 D 7.86 4.61 0.00 2.51 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 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 7.90 5.13 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 0.77 0.00 0.00 1.04 0.00 0.00 13 I 9.02 4.67 1.82 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 1.39 0.50 0.83 0.00 0.00 14 L 8.54 5.15 0.00 1.42 1.56 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.10 4.35 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 0.00 16 A 8.18 5.16 1.20 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 17 D 8.56 4.77 0.00 2.70 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 18 S 8.31 4.96 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.77 5.08 0.00 1.77 2.04 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.84 4.79 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 1.21 0.00 0.00 21 T 8.66 5.13 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 22 T 8.63 4.50 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 1.27 0.00 0.00 23 G 8.23 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 24 A 8.61 4.30 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 25 Y 7.81 4.32 0.00 3.02 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 26 I 7.29 4.29 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.79 0.00 0.00 27 A 8.23 4.08 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 28 N 7.85 4.84 0.00 2.79 2.60 0.00 0.00 6.76 7.53 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 29 R 8.61 4.59 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.20 4.59 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.43 3.99 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 1.23 0.00 0.00 32 D 8.62 4.73 0.00 2.70 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 33 K 8.62 4.40 0.00 1.78 1.98 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.07 4.92 0.00 1.85 1.86 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.89 4.59 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 1.17 0.00 0.00 36 R 7.81 3.20 0.00 0.67 1.08 0.00 3.05 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 37 V 7.52 4.22 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 0.84 0.00 0.00 1.12 0.00 0.00 38 H 7.65 4.46 0.00 3.14 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.46 4.54 0.00 2.73 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 40 K 8.18 5.02 0.00 1.85 1.98 0.00 1.80 0.00 0.00 2.14 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.43 5.18 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 1.03 0.00 0.00 42 W 9.75 5.30 0.00 3.19 3.27 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 43 C 9.48 5.30 0.00 2.72 2.87 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 44 C 9.27 5.27 0.00 2.82 2.86 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 45 R 8.52 5.08 0.00 1.73 1.86 0.00 3.19 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.83 4.57 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.68 4.26 0.00 3.83 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.83 3.98 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 50 A 7.95 3.96 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 51 D 8.47 4.29 0.00 2.70 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 52 T 8.18 3.94 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 1.31 0.00 0.00 53 Q 8.26 3.93 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 54 A 7.94 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 55 I 8.11 3.58 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.03 0.00 0.00 56 A 8.45 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.34 0.00 2.82 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 58 I 7.79 3.84 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.02 0.00 0.00 59 V 7.95 3.39 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 60 Q 8.36 4.08 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 61 Y 8.04 4.08 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 62 H 8.45 3.75 0.00 3.39 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.01 0.00 1.62 1.65 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.12 3.91 0.00 2.13 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 2.26 2.30 0.00 65 L 7.65 3.85 0.00 1.35 1.48 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.07 3.87 0.00 3.29 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 67 T 7.92 4.49 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 1.28 0.00 0.00 68 S 7.79 4.15 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 6.94 4.06 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 70 Y 7.41 4.42 0.00 2.30 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 *72 G 7.51 4.06 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 0.00 0.00 0.00 73 T 8.57 4.18 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 1.27 0.00 0.00 74 P 0.00 4.52 0.00 1.70 1.06 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 75 S 8.10 4.37 0.00 4.03 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 0.00 76 T 8.39 3.88 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 1.26 0.00 0.00 77 E 8.07 3.93 0.00 2.00 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 2.35 2.38 0.00 78 T 7.98 3.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 79 A 8.00 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.26 4.16 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 81 S 8.04 4.05 0.00 4.02 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 0.00 82 V 7.79 3.54 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 0.78 0.00 0.00 0.88 0.00 0.00 83 F 8.26 3.99 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.42 3.93 0.00 1.96 2.02 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.47 3.99 0.00 2.30 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 2.33 2.48 0.00 86 L 7.77 4.01 0.00 1.95 1.73 0.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.18 4.24 0.00 3.06 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 88 Y 8.82 4.26 0.00 2.93 3.07 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 89 E 8.21 3.88 0.00 2.32 1.98 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 2.36 2.33 0.00 90 N 7.81 5.04 0.00 2.88 2.74 0.00 0.00 6.56 7.56 0.00 0.00 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 K 7.70 4.04 0.00 1.85 2.10 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.35 7.81 92 D 7.93 4.29 0.00 2.73 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 *94 N 7.89 5.13 0.00 2.73 2.89 0.00 0.00 7.07 7.85 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 95 L 7.49 5.05 0.00 1.67 1.55 0.99 0.75 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 96 T 8.70 4.66 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 1.22 0.00 0.00 97 A 8.39 4.96 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 98 G 9.15 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 99 I 8.28 5.00 1.69 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.43 0.00 0.00 100 I 8.42 4.31 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.18 0.89 0.00 0.00 101 V 8.28 4.59 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 0.82 0.00 0.00 0.43 0.00 0.00 102 A 9.33 4.79 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 0.00 103 G 8.71 4.63 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 0.00 0.00 0.00 104 Y 9.05 4.66 0.00 2.96 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 0.00 105 D 7.88 4.26 0.00 2.46 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.