NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2285 8.1076 123.5835 52.1812 19.9226 177.6058 *2 S 4.5637 7.6010 117.7096 58.0666 65.8339 176.7265 3 Q 4.0979 8.0454 119.8975 58.9281 28.3457 178.3533 4 E 4.3077 8.2179 119.6271 58.7689 29.5658 179.1513 5 A 4.0402 7.9296 120.4465 55.0957 18.4144 179.3060 6 F 4.3538 8.6219 119.4285 61.3381 39.0469 177.4033 7 E 3.8356 8.3942 118.4796 59.3194 29.2453 178.8269 8 N 4.3186 8.3471 117.2119 56.3253 39.0013 176.9527 9 K 3.9297 8.0004 121.0168 59.4766 32.1385 178.7201 10 L 3.8047 7.6128 118.2404 57.8781 41.9194 178.5838 11 Y 4.0767 8.2549 119.3129 60.6922 38.8565 177.8556 12 A 4.0541 8.2441 121.6278 55.5216 18.6122 179.2559 13 N 4.4315 8.2389 113.9878 55.5239 38.5655 177.1099 14 L 4.1065 7.5525 119.9326 56.4913 41.4636 178.4463 15 E 4.2109 7.7402 117.4232 58.0805 29.4433 177.7341 16 A 4.3815 7.5778 119.3118 51.2101 19.2186 176.7707 17 V 4.0874 7.6300 119.6748 61.1166 32.6221 174.6227 18 I 4.5854 8.0476 127.7775 59.4027 39.2671 174.8263 19 D 4.5362 8.7564 125.0177 52.5992 40.7158 175.3561 20 P 4.2462 0.0000 0.0000 65.4184 31.6935 178.8868 21 E 3.9904 8.1815 117.1915 58.4305 28.4179 177.6161 22 L 4.4920 7.5844 116.7054 53.4493 43.5467 177.8283 23 G 3.9933 8.4764 106.3208 45.8527 0.0000 173.4513 24 V 4.4705 7.0152 118.7676 59.9515 34.6883 174.8669 25 D 4.9653 8.3178 125.0216 52.9009 41.7281 177.5926 26 I 3.6507 8.3740 115.6245 63.9194 37.3771 178.8646 27 V 3.4020 7.6053 119.7129 66.1561 31.3304 177.7238 28 N 4.5165 8.5330 114.8097 55.9248 38.4360 177.1089 29 L 4.4117 7.8016 119.5036 55.5345 41.7146 177.6171 30 G 4.1822 7.8947 106.0019 47.3821 0.0000 174.5533 31 L 4.0694 8.0283 120.0945 55.2536 42.0557 177.1818 32 V 4.0715 7.6520 118.7265 61.6700 31.7835 174.6281 33 Y 4.7729 8.7971 126.4566 60.1247 38.7201 175.6442 34 D 4.8516 7.7108 117.1005 52.9262 45.0370 174.2848 35 V 4.9878 8.4025 123.8634 61.3639 34.5318 174.5737 36 T 4.9820 9.0713 117.2015 59.9237 71.9109 172.6610 37 A 5.9400 9.4441 126.5050 49.4202 22.1289 175.4576 38 D 4.7908 8.4860 119.9422 51.2833 41.6328 177.2242 39 E 3.9075 8.5980 116.6646 58.9193 29.3853 177.3539 40 N 4.5894 8.2317 115.4134 52.6820 38.8235 174.3752 41 N 4.2340 8.2593 115.2908 54.2401 37.0500 173.4199 42 N 5.2188 8.7824 115.2487 52.8963 40.2314 174.2254 43 A 5.3094 9.4390 123.8638 50.1121 22.8496 175.1183 44 V 4.6729 9.0078 121.1892 61.1975 34.3794 174.3358 45 I 4.8048 8.9976 129.6810 60.1931 38.9457 174.7954 46 T 5.2022 8.6166 124.5188 60.8270 70.3718 174.0995 *48 T 4.3072 8.5714 117.3986 61.9703 67.6876 175.5562 *50 T 3.7707 8.5320 106.6902 61.0128 70.3209 173.8446 51 S 4.7079 7.3715 113.9534 56.6481 65.6479 173.1647 52 I 2.9899 7.7785 121.8394 62.1052 37.9894 176.1425 53 G 3.8369 8.7159 115.0081 45.1804 0.0000 172.7883 54 C 4.0839 7.4665 120.0027 59.0094 31.7234 174.0521 55 P 4.4285 0.0000 0.0000 62.0916 30.2568 177.4290 *57 A 4.3797 8.2416 122.5352 52.2553 20.8157 180.0991 58 G 3.5679 7.9708 102.0519 47.9074 0.0000 175.6222 59 Q 3.9746 7.9764 121.5205 58.9130 29.1465 178.1444 60 I 3.6222 7.6367 120.4362 64.1863 37.1796 178.2804 61 V 3.5006 7.8735 119.0801 66.1262 31.3014 177.8961 62 S 4.0962 7.9236 114.7802 62.0767 62.7014 176.6199 63 D 4.3306 8.2471 121.2702 57.3453 40.5064 179.0447 64 V 3.5338 7.8831 118.6911 66.0691 31.4945 178.3399 65 K 3.9926 7.8697 117.7394 59.0220 31.8785 179.3940 66 K 3.8729 8.3680 120.3710 59.4564 32.1768 179.0302 67 V 3.5549 8.0437 118.8260 66.0658 31.4895 177.9973 68 L 3.9810 7.8349 118.9101 57.8481 41.2658 179.7439 69 S 4.2229 7.9104 113.0144 61.3310 63.0052 176.5331 70 T 4.0702 7.7931 118.7495 66.5719 68.5705 176.3424 71 N 4.7545 8.3890 116.1542 53.5325 40.2105 175.8042 72 V 4.3570 7.5737 120.7693 59.3292 31.3254 173.4466 73 P 4.3180 0.0000 0.0000 65.1312 31.5912 177.6383 74 E 4.2054 8.1429 115.5899 58.0485 29.8999 177.6097 75 V 4.3010 7.6898 112.2297 61.6893 33.7507 174.2413 76 N 4.5420 9.3871 121.4855 54.1514 38.6241 177.2809 77 E 4.3031 5.9000 125.8728 56.7321 32.0533 175.3235 78 I 5.1015 8.2386 125.2081 59.6748 40.5293 174.2710 79 E 4.6997 9.2701 126.0345 54.3457 32.4799 175.3119 80 V 4.6178 8.3480 121.9698 61.4662 33.5865 174.5648 81 N 4.6813 8.9987 129.2401 51.9516 39.7619 173.4070 82 V 3.9225 8.0088 126.5007 62.1211 32.1818 175.4558 83 V 4.2387 7.6480 119.3086 59.4555 35.3775 175.6992 84 W 5.1648 8.5625 117.7679 56.3960 30.5404 175.4051 85 N 5.1867 8.0653 115.8845 50.4017 41.3693 172.5988 86 P 4.5687 0.0000 0.0000 61.7212 32.1901 174.2773 87 P 4.7693 0.0000 0.0000 62.1023 32.0819 176.2298 88 W 4.4857 8.9070 131.0899 57.8142 31.4361 174.8750 89 S 4.0628 7.1527 116.7353 55.8827 65.4995 174.9799 90 K 3.3989 7.6389 119.4992 59.0501 32.2742 177.8823 91 E 4.0412 7.1997 118.1847 58.1319 29.8235 177.9710 92 R 4.0917 7.4045 120.4385 54.6680 28.6487 175.5771 *94 S 4.3008 7.7491 116.3996 57.4672 64.6000 175.5331 95 R 3.8830 8.4996 117.6314 57.6561 30.1071 177.5920 *97 A 4.3297 8.0690 120.9187 51.7965 20.7834 179.9562 98 K 4.0136 8.3069 115.3443 59.5736 31.5897 179.6899 99 I 3.7066 8.0011 119.8948 64.3029 36.9953 178.3678 100 A 3.9181 7.9257 121.0613 55.2858 18.1419 179.5365 101 L 4.1708 8.1915 116.3165 57.3536 41.7355 179.5895 102 G 3.7395 7.9347 104.8475 46.9464 0.0000 174.2959 103 I 4.3142 7.0871 119.8109 61.7941 39.0321 176.5306 104 R 4.2594 8.0294 120.8642 55.0002 28.5623 175.8407 105 D 4.7518 8.1628 120.1187 54.5028 42.1107 173.3509 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 0 A 8.11 4.23 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 *2 S 7.60 4.56 0.00 4.04 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 3 Q 8.05 4.10 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 4 E 8.22 4.31 0.00 2.10 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 2.33 2.29 0.00 5 A 7.93 4.04 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 6 F 8.62 4.35 0.00 3.17 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 7 E 8.39 3.84 0.00 2.26 1.97 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 2.45 2.45 0.00 8 N 8.35 4.32 0.00 2.90 3.01 0.00 0.00 6.86 6.26 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 9 K 8.00 3.93 0.00 1.93 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.48 7.81 10 L 7.61 3.80 0.00 1.60 1.56 0.58 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.25 4.08 0.00 3.11 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 12 A 8.24 4.05 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 13 N 8.24 4.43 0.00 2.83 2.83 0.00 0.00 7.06 6.50 0.00 0.00 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 L 7.55 4.11 0.00 1.56 1.50 0.78 0.58 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 15 E 7.74 4.21 0.00 2.04 1.97 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 2.42 2.22 0.00 16 A 7.58 4.38 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 17 V 7.63 4.09 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 0.98 0.00 0.00 0.86 0.00 0.00 18 I 8.05 4.59 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.90 0.00 0.00 19 D 8.76 4.54 0.00 2.56 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 20 P 0.00 4.25 0.00 2.19 2.05 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 21 E 8.18 3.99 0.00 2.04 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 2.32 2.25 0.00 22 L 7.58 4.49 0.00 1.54 1.64 0.82 1.13 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 23 G 8.48 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 V 7.02 4.47 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 1.13 0.00 0.00 1.01 0.00 0.00 25 D 8.32 4.97 0.00 3.07 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 26 I 8.37 3.65 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.84 0.00 0.00 27 V 7.61 3.40 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 0.37 0.00 0.00 28 N 8.53 4.52 0.00 2.72 2.91 0.00 0.00 7.19 8.66 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 29 L 7.80 4.41 0.00 1.79 1.75 0.69 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.89 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 0.00 0.00 0.00 31 L 8.03 4.07 0.00 1.62 1.66 0.64 0.01 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 32 V 7.65 4.07 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 0.92 0.00 0.00 0.79 0.00 0.00 33 Y 8.80 4.77 0.00 3.05 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 34 D 7.71 4.85 0.00 2.75 2.49 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 35 V 8.40 4.99 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 0.89 0.00 0.00 1.09 0.00 0.00 36 T 9.07 4.98 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 1.27 0.00 0.00 37 A 9.44 5.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.79 0.00 2.92 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 39 E 8.60 3.91 0.00 2.07 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 0.00 2.26 2.27 0.00 40 N 8.23 4.59 0.00 2.88 2.87 0.00 0.00 6.98 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 41 N 8.26 4.23 0.00 2.83 2.88 0.00 0.00 7.01 7.63 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 42 N 8.78 5.22 0.00 2.91 2.75 0.00 0.00 6.70 7.15 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 43 A 9.44 5.31 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 44 V 9.01 4.67 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 0.97 0.00 0.00 0.94 0.00 0.00 45 I 9.00 4.80 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.86 0.00 0.00 46 T 8.62 5.20 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 1.26 0.00 0.00 *48 T 8.57 4.31 3.74 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 1.06 0.00 0.00 *50 T 8.53 3.77 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 0.13 0.00 0.00 51 S 7.37 4.71 0.00 3.99 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 52 I 7.78 2.99 0.63 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.24 0.61 0.00 0.00 53 G 8.72 3.84 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 0.00 0.00 0.00 54 C 7.47 4.08 0.00 3.01 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 55 P 0.00 4.43 0.00 2.07 2.05 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 *57 A 8.24 4.38 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 58 G 7.97 3.57 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 0.00 0.00 0.00 59 Q 7.98 3.97 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 60 I 7.64 3.62 1.93 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 1.45 0.42 0.81 0.00 0.00 61 V 7.87 3.50 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 0.99 0.00 0.00 0.90 0.00 0.00 62 S 7.92 4.10 0.00 4.05 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 63 D 8.25 4.33 0.00 2.87 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 64 V 7.88 3.53 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 0.97 0.00 0.00 0.87 0.00 0.00 65 K 7.87 3.99 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.58 7.81 66 K 8.37 3.87 0.00 1.90 1.89 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 V 8.04 3.55 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 0.99 0.00 0.00 0.93 0.00 0.00 68 L 7.83 3.98 0.00 1.72 1.67 0.86 0.82 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 69 S 7.91 4.22 0.00 4.05 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 70 T 7.79 4.07 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 1.21 0.00 0.00 71 N 8.39 4.75 0.00 2.78 2.98 0.00 0.00 6.84 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 72 V 7.57 4.36 2.23 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 1.25 0.00 0.00 0.90 0.00 0.00 73 P 0.00 4.32 0.00 2.10 2.14 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 74 E 8.14 4.21 0.00 1.98 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 2.33 2.43 0.00 75 V 7.69 4.30 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 0.86 0.00 0.00 1.10 0.00 0.00 76 N 9.39 4.54 0.00 2.73 2.49 0.00 0.00 6.92 7.23 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 77 E 5.90 4.30 0.00 2.05 1.82 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 2.31 2.30 0.00 78 I 8.24 5.10 1.87 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 1.41 0.95 0.89 0.00 0.00 79 E 9.27 4.70 0.00 1.98 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 2.19 2.21 0.00 80 V 8.35 4.62 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 0.71 0.00 0.00 0.88 0.00 0.00 81 N 9.00 4.68 0.00 2.83 2.66 0.00 0.00 6.46 8.29 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 82 V 8.01 3.92 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 0.11 0.00 0.00 0.76 0.00 0.00 83 V 7.65 4.24 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 0.91 0.00 0.00 0.88 0.00 0.00 84 W 8.56 5.16 0.00 3.31 3.18 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 85 N 8.07 5.19 0.00 2.77 2.76 0.00 0.00 7.03 8.02 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 86 P 0.00 4.57 0.00 2.18 2.04 0.00 3.69 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 1.78 1.76 0.00 87 P 0.00 4.77 0.00 2.34 2.24 0.00 3.84 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 2.06 2.02 0.00 88 W 8.91 4.49 0.00 3.32 3.28 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 89 S 7.15 4.06 0.00 3.69 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 90 K 7.64 3.40 0.00 1.82 1.86 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.35 7.81 91 E 7.20 4.04 0.00 1.83 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 2.21 2.33 0.00 92 R 7.40 4.09 0.00 1.85 1.98 0.00 3.18 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 *94 S 7.75 4.30 0.00 4.07 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 95 R 8.50 3.88 0.00 1.88 1.97 0.00 3.21 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 *97 A 8.07 4.33 1.43 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 0.00 0.00 98 K 8.31 4.01 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 99 I 8.00 3.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.92 0.00 0.00 100 A 7.93 3.92 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 0.00 101 L 8.19 4.17 0.00 1.75 1.79 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.93 3.74 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 0.00 103 I 7.09 4.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.92 0.00 0.00 104 R 8.03 4.26 0.00 1.78 1.89 0.00 3.29 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 105 D 8.16 4.75 0.00 2.81 2.65 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 * Residues marked with a * may have inaccurate shift predictions.