NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3498 8.2493 123.5834 52.5370 19.8293 176.2124 2 T 4.5639 8.4529 112.4178 61.1953 71.1293 172.4155 3 K 5.3180 8.3313 123.1251 54.9272 37.2604 176.1150 4 A 5.4246 9.1392 123.9530 50.9195 23.4661 175.0948 5 V 4.9697 8.8781 117.4639 60.9243 35.4200 173.2136 6 C 4.9756 9.1977 122.0240 57.9709 35.3727 172.6599 7 V 4.5317 8.4485 125.9603 61.5325 32.9439 174.1813 8 L 4.7927 8.9060 129.5377 53.8988 43.0714 176.2840 9 K 4.8463 9.0592 122.1826 55.3420 36.9411 175.8899 10 G 4.0835 8.0646 108.6613 46.1563 0.0000 172.8056 11 D 4.6720 8.8209 119.8412 54.5583 42.0221 176.4350 12 G 4.4227 7.5431 109.1895 43.8954 0.0000 171.4028 13 P 4.4667 0.0000 0.0000 63.2234 32.0125 175.2525 14 V 4.7961 7.7225 120.2722 61.8613 32.2721 174.8631 15 Q 4.7306 7.8711 123.9075 55.6790 31.9580 173.7040 16 G 4.2444 7.6353 105.3869 46.7109 0.0000 171.4801 17 I 5.1782 7.7286 119.1466 59.4491 40.9841 174.8764 18 I 4.6583 8.6595 126.9160 59.4904 40.2853 174.3523 19 N 4.8953 8.3111 124.0344 51.4060 41.0974 173.9694 20 F 5.3537 8.8085 119.8615 55.8599 43.4372 173.7722 21 E 5.2358 9.5999 122.5050 54.9564 33.4602 173.7728 22 Q 4.7966 9.4689 127.8170 54.2365 30.7276 174.4539 23 K 4.1231 9.0579 128.7608 58.5460 32.7501 176.9519 24 E 4.7567 7.8526 117.7786 54.0277 32.4126 176.9250 25 S 4.0889 8.9035 118.2306 60.9527 63.2163 174.6929 26 N 4.7679 8.1834 116.3041 52.6550 38.4448 174.0742 27 G 4.2401 7.7473 108.8252 42.5722 0.0000 171.4387 28 P 4.6804 0.0000 0.0000 62.7961 32.4889 175.7853 29 V 4.6518 8.8048 120.9987 61.1753 33.8759 174.7466 30 K 4.8285 9.5360 128.1459 56.0622 33.7532 176.0170 31 V 4.9049 9.1722 124.8625 60.8434 34.3063 174.2433 32 W 5.4387 8.5945 124.2371 54.7583 31.7987 175.3099 33 G 3.7740 7.6897 107.3639 46.3160 0.0000 170.9499 34 S 5.0432 7.7924 114.7915 57.2512 66.6908 174.5367 35 I 4.9960 8.7291 127.1783 59.3321 40.4239 174.8252 36 K 4.8292 9.3117 125.5837 55.5293 36.1142 177.0265 37 G 3.9444 8.8671 106.0444 46.5431 0.0000 173.5181 38 L 4.4009 7.6458 120.0635 53.2366 42.9501 176.5297 39 T 4.2673 8.0976 110.7420 61.1113 69.5838 174.0486 40 E 4.1643 8.5708 124.2495 57.4570 30.6511 175.0027 41 G 3.9850 8.4632 110.5021 43.9944 0.0000 172.3368 42 L 4.8968 8.2191 119.0698 54.7008 43.0188 176.5156 43 H 4.9577 9.2085 119.3260 53.7385 32.9513 173.3668 44 G 3.9881 9.2164 111.3724 46.7296 0.0000 172.4094 45 F 5.5432 9.2668 124.5306 56.8708 42.3583 173.0486 46 H 5.1373 9.1131 122.8788 54.0162 33.5852 172.7954 47 V 4.5202 8.4760 121.7715 62.1929 32.9117 174.8876 48 H 5.0432 9.2962 125.7517 54.6728 30.3799 176.0871 49 E 3.7010 9.0494 123.0518 58.8522 29.9793 177.2259 50 F 4.9469 8.2539 118.3201 55.8548 41.1113 176.3566 51 G 4.6733 8.4563 113.3287 44.4277 0.0000 174.3931 52 D 4.7720 7.9743 118.5575 52.7923 41.9736 174.7134 53 N 5.6060 8.6830 124.3632 52.3836 39.2443 176.6493 54 T 3.9443 8.5282 111.7091 63.7765 69.2792 174.3173 55 A 4.7302 8.0692 125.8389 51.4651 20.4014 176.0367 56 G 3.7689 7.7923 112.8159 47.7415 0.0000 176.7802 57 C 4.5065 8.5896 117.0045 59.1266 35.8326 175.8947 58 T 3.8829 7.8316 117.6704 66.3410 67.7555 175.9476 59 S 4.4502 7.8902 112.2002 59.2877 63.4583 175.3036 60 A 4.6963 7.4492 126.6868 54.4520 18.2965 178.7973 61 G 4.1134 8.2104 105.6430 44.3776 0.0000 170.6835 62 P 4.7623 0.0000 0.0000 61.8597 34.0092 175.0941 63 H 4.4739 8.4732 116.3707 55.9532 29.4908 175.5811 64 F 4.3194 9.1095 125.6200 57.8057 40.2276 175.2673 65 N 5.0401 7.7469 125.6072 51.7963 38.8465 173.0548 66 P 4.2225 0.0000 0.0000 64.6512 32.2397 177.7125 67 L 4.3097 7.5144 117.2732 53.7191 42.2828 176.1360 68 S 3.5970 7.4015 113.3629 59.8886 60.5239 171.3901 69 R 4.5915 8.2035 117.7951 54.3810 32.7586 176.5797 70 K 4.4009 8.8309 118.8498 55.3074 33.2800 176.3980 71 H 4.1224 8.3929 120.4970 56.5612 30.4557 175.0439 72 G 3.9728 7.2903 112.0299 45.6176 0.0000 172.4746 73 G 4.0035 8.8842 109.0788 43.4806 0.0000 173.3233 74 P 4.4070 0.0000 0.0000 64.4340 31.2606 177.3781 75 K 4.4333 7.8487 115.5444 56.0069 32.5189 176.0600 76 D 4.5980 7.6259 119.7257 53.8251 41.4558 176.3847 77 E 3.9020 8.6822 123.3082 58.6727 29.6932 176.2946 78 E 4.2818 7.9751 120.9125 55.2160 28.8726 174.6886 79 R 4.8689 7.6280 120.1849 55.6323 32.3628 174.6751 80 H 4.4963 9.1491 116.7676 55.3457 29.5155 176.7772 81 V 3.4561 8.2564 122.1049 66.1637 31.7017 177.0403 82 G 3.8846 8.3971 105.4183 46.9665 0.0000 173.6253 83 D 4.9037 8.2680 123.0753 52.9978 39.9017 176.1558 84 L 4.5203 8.4390 119.4019 53.4981 42.5042 177.8967 85 G 4.1173 8.6111 107.4012 45.9144 0.0000 173.4048 86 N 5.5633 8.5877 120.4087 51.5038 42.0671 174.1518 87 V 4.2189 8.5934 115.4834 60.4202 34.5396 175.0084 88 T 4.9827 8.1816 118.2637 61.8460 71.2577 173.1332 89 A 4.6809 9.0768 129.7371 51.0882 20.7135 177.3308 90 D 5.0482 8.6915 122.1979 51.9867 41.6196 177.0994 91 K 4.3702 8.4225 116.4794 59.3505 32.6051 177.1391 92 D 4.5809 8.3685 118.3713 53.9635 40.9675 177.0524 93 G 4.2523 8.4381 107.9368 44.8572 0.0000 172.7953 94 V 4.6760 7.8276 119.6207 60.9455 33.7220 174.4158 95 A 5.1713 8.9558 130.6874 49.5787 20.0163 174.8675 96 D 4.8556 8.4791 121.0251 54.8798 42.1101 176.3016 97 V 4.2938 8.8583 123.3027 61.1992 34.4174 174.6392 98 S 5.1365 8.6576 122.8601 57.3449 63.7960 172.1920 99 I 4.8960 9.3184 120.4173 58.9432 41.7265 173.7368 100 E 5.3109 8.7485 120.3121 54.6615 32.8592 175.3008 101 D 4.8372 9.3638 122.3288 52.5844 44.9206 175.7769 102 S 4.7767 8.8634 119.6338 58.3512 63.6344 174.4382 103 V 4.2516 8.0015 121.0986 64.1300 32.9617 176.4500 104 I 4.0000 7.9917 111.6609 61.1753 37.8647 174.6627 105 S 4.6632 8.1922 115.2799 57.3699 65.5259 173.5851 106 L 4.5172 8.9884 122.3006 54.2072 41.4786 176.2436 107 S 4.4053 7.8876 113.0681 58.3388 64.7928 174.9904 108 G 3.8682 8.4960 108.8017 44.7637 0.0000 173.5641 109 D 4.6206 8.7663 117.2044 56.9332 41.0756 176.4245 110 H 4.8091 7.7611 117.3453 54.2165 29.8865 175.7542 *112 I 3.7440 8.1618 116.9842 59.8026 39.2633 175.5457 113 I 3.6838 7.3359 122.7226 62.9385 37.5916 176.2460 114 G 3.8006 9.3263 113.1370 45.4295 0.0000 172.7185 115 R 4.9742 7.4954 118.9380 54.5903 34.1067 174.4185 116 T 4.9789 8.0308 115.6046 62.0380 70.8851 173.9749 117 L 4.7689 8.5932 129.0284 54.2959 43.9079 175.4521 118 V 5.0204 8.9578 125.8721 61.0269 35.0210 174.2210 119 V 5.0884 8.6664 126.8551 60.4590 33.8367 174.5739 120 H 5.3124 8.8355 120.5280 53.8865 30.9305 174.2332 121 E 4.2740 9.1494 122.2848 59.3783 30.1122 176.2882 122 K 4.5970 8.4303 116.5945 55.5210 36.3869 175.5279 123 A 4.5141 8.5021 121.9783 52.2138 18.9868 176.4925 124 D 4.7020 9.2477 122.6393 54.2132 41.9344 176.3949 125 H 4.4186 9.1010 121.8476 56.2151 28.9901 176.2505 126 L 3.4206 9.5567 119.6525 55.7973 39.1127 175.6110 127 G 4.0661 8.9075 106.8903 45.5216 0.0000 174.4822 128 K 4.2278 7.6258 118.3380 56.8123 31.9861 177.8102 *136 K 4.3512 8.1077 122.3899 56.0512 33.6151 176.4579 137 T 3.9540 7.9399 106.3739 60.9985 70.1083 175.6170 138 G 3.4186 7.7405 110.0257 43.9329 0.0000 172.3941 139 N 4.1659 7.7481 116.4623 54.7088 37.7985 173.9686 140 A 4.6686 7.3564 116.3906 50.8170 19.5675 179.6152 141 G 4.0246 7.9077 106.7143 45.3253 0.0000 173.8177 142 S 4.4070 8.6882 113.8927 58.3372 64.7316 174.2153 143 R 4.3152 8.3865 120.1240 55.6249 29.0060 176.3994 144 L 4.3388 8.9868 126.0555 57.2010 43.1569 177.1279 145 A 4.8591 7.6997 117.9605 51.3544 22.8227 174.0136 146 C 5.5268 8.4960 113.5344 56.0785 46.2900 172.6245 147 G 4.6070 8.0401 104.2533 46.2619 0.0000 172.5121 148 V 4.5185 8.2919 120.7119 62.2364 32.7434 175.4627 149 I 4.1719 8.8573 129.5527 60.9890 38.0351 175.3003 150 G 4.4499 9.0141 114.6850 43.9324 0.0000 172.3947 151 I 4.4682 8.3220 121.8089 61.1862 37.6904 175.3661 152 A 4.8366 8.4716 127.3346 49.6742 22.4192 176.0230 153 Q 4.0738 8.5558 118.6963 56.4432 29.2200 175.9655 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 A 8.25 4.35 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 2 T 8.45 4.56 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 1.27 0.00 0.00 3 K 8.33 5.32 0.00 1.92 1.76 0.00 1.73 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.51 7.81 4 A 9.14 5.42 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 5 V 8.88 4.97 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 0.79 0.00 0.00 0.96 0.00 0.00 6 C 9.20 4.98 0.00 3.11 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 7 V 8.45 4.53 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.91 4.79 0.00 1.67 1.59 1.04 0.44 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 9 K 9.06 4.85 0.00 1.65 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.06 4.08 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 0.00 0.00 0.00 11 D 8.82 4.67 0.00 2.67 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 12 G 7.54 4.42 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 0.00 13 P 0.00 4.47 0.00 2.22 2.28 0.00 3.68 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 2.17 1.94 0.00 14 V 7.72 4.80 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 0.91 0.00 0.00 15 Q 7.87 4.73 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 16 G 7.64 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 0.00 0.00 0.00 0.00 17 I 7.73 5.18 1.80 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 1.31 1.00 0.80 0.00 0.00 18 I 8.66 4.66 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.42 0.00 0.00 19 N 8.31 4.90 0.00 1.44 1.42 0.00 0.00 6.43 8.07 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 20 F 8.81 5.35 0.00 2.93 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 21 E 9.60 5.24 0.00 2.53 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 2.30 2.40 0.00 22 Q 9.47 4.80 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 23 K 9.06 4.12 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.48 7.81 24 E 7.85 4.76 0.00 2.00 1.79 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 2.29 2.20 0.00 25 S 8.90 4.09 0.00 3.97 4.01 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 26 N 8.18 4.77 0.00 2.73 2.85 0.00 0.00 6.67 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 27 G 7.75 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 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.13 2.11 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 29 V 8.80 4.65 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 1.39 0.00 0.00 1.08 0.00 0.00 30 K 9.54 4.83 0.00 1.91 1.81 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.43 7.81 31 V 9.17 4.90 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 0.88 0.00 0.00 1.13 0.00 0.00 32 W 8.59 5.44 0.00 3.47 3.15 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 33 G 7.69 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 34 S 7.79 5.04 0.00 3.96 3.63 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 35 I 8.73 5.00 1.77 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 1.25 0.42 0.90 0.00 0.00 36 K 9.31 4.83 0.00 1.71 1.88 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.36 1.33 7.81 37 G 8.87 3.94 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 38 L 7.65 4.40 0.00 1.80 1.38 0.79 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.10 4.27 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 1.24 0.00 0.00 40 E 8.57 4.16 0.00 2.03 1.87 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 2.38 2.57 0.00 41 G 8.46 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 0.00 0.00 0.00 42 L 8.22 4.90 0.00 1.51 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.21 4.96 0.00 3.00 3.30 0.00 5.63 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 44 G 9.22 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 45 F 9.27 5.54 0.00 2.99 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 46 H 9.11 5.14 0.00 3.19 2.95 0.00 5.67 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 47 V 8.48 4.52 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 0.94 0.00 0.00 0.86 0.00 0.00 48 H 9.30 5.04 0.00 3.06 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.05 3.70 0.00 1.68 1.13 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 1.47 2.03 0.00 50 F 8.25 4.95 0.00 3.41 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 51 G 8.46 4.67 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 52 D 7.97 4.77 0.00 2.62 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 53 N 8.68 5.61 0.00 2.72 2.77 0.00 0.00 7.30 7.54 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 54 T 8.53 3.94 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 1.24 0.00 0.00 55 A 8.07 4.73 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 56 G 7.79 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 57 C 8.59 4.51 0.00 2.98 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 58 T 7.83 3.88 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 1.23 0.00 0.00 59 S 7.89 4.45 0.00 4.02 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 60 A 7.45 4.70 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 61 G 8.21 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 62 P 0.00 4.76 0.00 2.07 2.23 0.00 3.74 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 2.02 0.00 63 H 8.47 4.47 0.00 2.81 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.11 4.32 0.00 2.90 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 65 N 7.75 5.04 0.00 2.46 2.42 0.00 0.00 6.95 7.71 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 66 P 0.00 4.22 0.00 2.04 1.93 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 67 L 7.51 4.31 0.00 1.51 1.63 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.40 3.60 0.00 3.95 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 69 R 8.20 4.59 0.00 1.86 1.94 0.00 3.28 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 70 K 8.83 4.40 0.00 1.72 1.70 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 71 H 8.39 4.12 0.00 3.20 3.21 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.29 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 0.00 0.00 0.00 73 G 8.88 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 0.00 0.00 0.00 74 P 0.00 4.41 0.00 2.24 2.36 0.00 3.39 0.00 0.00 4.43 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 75 K 7.85 4.43 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 76 D 7.63 4.60 0.00 2.80 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 77 E 8.68 3.90 0.00 1.92 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 2.28 2.23 0.00 78 E 7.98 4.28 0.00 2.05 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 2.31 2.46 0.00 79 R 7.63 4.87 0.00 1.95 1.88 0.00 2.87 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 80 H 9.15 4.50 0.00 3.44 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.26 3.46 1.56 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 0.86 0.00 0.00 0.60 0.00 0.00 82 G 8.40 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 0.00 0.00 0.00 83 D 8.27 4.90 0.00 2.74 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 84 L 8.44 4.52 0.00 1.63 1.83 0.75 0.89 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 85 G 8.61 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 0.00 0.00 0.00 0.00 86 N 8.59 5.56 0.00 2.60 2.70 0.00 0.00 6.70 7.68 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 87 V 8.59 4.22 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 -0.16 0.00 0.00 0.79 0.00 0.00 88 T 8.18 4.98 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 1.20 0.00 0.00 89 A 9.08 4.68 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 90 D 8.69 5.05 0.00 2.89 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 91 K 8.42 4.37 0.00 1.88 1.99 0.00 1.17 0.00 0.00 0.79 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.37 4.58 0.00 2.81 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 93 G 8.44 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 0.00 0.00 0.00 0.00 94 V 7.83 4.68 2.33 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 1.04 0.00 0.00 0.97 0.00 0.00 95 A 8.96 5.17 1.13 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 0.00 0.00 96 D 8.48 4.86 0.00 2.56 2.61 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 97 V 8.86 4.29 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 1.02 0.00 0.00 0.68 0.00 0.00 98 S 8.66 5.14 0.00 3.91 3.73 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 0.00 0.00 0.00 99 I 9.32 4.90 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.96 0.00 0.00 100 E 8.75 5.31 0.00 1.86 1.89 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 2.24 2.29 0.00 101 D 9.36 4.84 0.00 2.82 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 0.00 102 S 8.86 4.78 0.00 3.90 3.86 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 0.00 103 V 8.00 4.25 2.22 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 0.82 0.00 0.00 0.95 0.00 0.00 104 I 7.99 4.00 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.00 0.00 0.00 105 S 8.19 4.66 0.00 3.74 3.86 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 0.00 106 L 8.99 4.52 0.00 1.85 1.63 1.00 0.50 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 0.00 107 S 7.89 4.41 0.00 3.88 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 0.00 108 G 8.50 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 0.00 0.00 0.00 109 D 8.77 4.62 0.00 2.74 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 0.00 110 H 7.76 4.81 0.00 3.30 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.16 3.74 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.24 0.95 0.00 0.00 113 I 7.34 3.68 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.37 0.84 0.00 0.00 114 G 9.33 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 0.00 0.00 0.00 115 R 7.50 4.97 0.00 1.56 1.75 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.00 116 T 8.03 4.98 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 1.25 0.00 0.00 117 L 8.59 4.77 0.00 1.83 1.57 0.55 0.65 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 0.00 118 V 8.96 5.02 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 0.75 0.00 0.00 0.83 0.00 0.00 119 V 8.67 5.09 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 0.73 0.00 0.00 0.99 0.00 0.00 120 H 8.84 5.31 0.00 3.29 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.15 4.27 0.00 2.01 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 2.36 2.31 0.00 122 K 8.43 4.60 0.00 1.78 1.88 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 123 A 8.50 4.51 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 0.00 124 D 9.25 4.70 0.00 2.67 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 0.00 125 H 9.10 4.42 0.00 3.39 3.56 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.56 3.42 0.00 1.83 1.87 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.91 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 0.00 128 K 7.63 4.23 0.00 1.87 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.38 7.81 *136 K 8.11 4.35 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.42 7.81 137 T 7.94 3.95 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 1.15 0.00 0.00 138 G 7.74 3.42 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 0.00 139 N 7.75 4.17 0.00 2.83 2.87 0.00 0.00 7.05 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 0.00 140 A 7.36 4.67 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 0.00 141 G 7.91 4.02 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 0.00 0.00 0.00 142 S 8.69 4.41 0.00 3.92 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 0.00 143 R 8.39 4.32 0.00 1.68 1.85 0.00 3.24 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 144 L 8.99 4.34 0.00 1.68 1.69 0.92 0.74 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 0.00 145 A 7.70 4.86 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 0.00 146 C 8.50 5.53 0.00 3.04 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 0.00 147 G 8.04 4.61 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 0.00 0.00 0.00 148 V 8.29 4.52 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 0.82 0.00 0.00 0.97 0.00 0.00 149 I 8.86 4.17 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 1.10 0.45 0.48 0.00 0.00 150 G 9.01 4.45 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 0.00 151 I 8.32 4.47 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.47 4.84 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 0.00 153 Q 8.56 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.