NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.3456 8.3344 115.2887 57.3518 63.5504 172.9559 17 K 4.1558 8.5229 127.0461 55.2509 32.4669 172.4235 18 E 4.9034 9.9086 125.7036 54.9420 34.2581 173.3294 19 E 5.3039 8.6676 118.2007 54.9089 33.4374 174.9223 20 M 5.0817 9.1527 119.3794 53.8659 35.8851 173.1259 21 E 5.2666 9.9802 119.4061 54.4704 33.2411 174.2883 22 L 5.8132 9.2216 125.4462 52.2595 46.1759 175.3398 23 T 5.1253 8.6267 118.4350 61.7967 71.6344 172.6903 24 L 4.9584 9.1167 129.0164 53.7212 44.1888 175.6303 25 V 4.1511 8.8517 119.1912 59.1052 36.6343 173.7654 26 G 3.7267 7.4422 104.8244 43.5822 0.0000 173.5832 27 L 4.5160 8.2927 120.4538 54.1532 42.2846 177.1748 28 Q 3.7817 8.3109 118.4159 58.1031 28.6256 176.7707 29 Y 3.9562 8.2933 116.1190 58.4085 35.6269 170.6161 30 S 4.1805 7.6675 115.5524 60.3982 63.4449 174.8624 31 G 4.1807 8.5983 110.0550 45.6532 0.0000 175.6221 32 K 3.8623 8.5622 120.9767 59.8765 32.0289 179.2046 33 T 4.1272 7.7288 116.4914 66.1693 68.3639 176.8417 34 T 3.8715 7.9332 117.3229 66.5995 68.4586 175.9373 35 F 4.1868 8.4580 122.6049 61.3975 39.3460 177.1125 36 V 3.3237 7.7629 117.5539 66.1250 31.0573 177.4792 37 N 4.2190 7.8748 114.5638 56.4648 38.4900 177.2061 38 V 3.6764 7.7645 118.3729 66.1413 31.7134 177.8734 39 I 3.6770 7.4187 118.3195 64.1493 36.9391 177.2279 40 A 3.8228 8.3289 121.8514 53.0659 18.0522 178.3114 *52 V 3.7855 7.3732 110.6077 59.5756 33.9282 176.3457 53 G 2.7341 8.0451 108.1788 48.6086 0.0000 173.4601 54 F 5.4201 7.0041 112.8075 55.1472 41.5493 173.6161 55 N 4.9204 9.0962 118.2248 52.8757 42.5721 172.4917 56 M 4.7075 8.7727 126.1510 53.9357 34.0378 175.0449 57 R 4.6625 8.4686 123.5215 54.4124 35.2123 173.9173 58 K 4.9627 8.5264 120.8874 54.6592 34.4709 175.7783 59 V 4.4026 8.8056 124.5139 61.3281 34.8579 174.0115 60 T 5.0415 8.4888 123.8753 61.8862 70.3685 174.3449 61 K 4.4762 9.3209 125.7738 56.0571 36.4456 176.5842 62 G 3.7671 9.5633 111.7815 46.8807 0.0000 173.5006 63 N 4.3513 8.4118 113.6836 53.2444 37.8627 172.3716 64 V 4.8566 7.5666 116.5142 61.3879 34.6901 174.2862 65 T 4.8656 8.8370 124.8574 62.3718 70.2542 173.6753 66 I 4.6865 8.9771 128.9510 59.5212 39.2808 174.7984 67 K 4.5897 8.9877 130.2673 55.4463 33.6172 175.2706 68 I 4.9056 8.8005 128.6984 59.3128 40.3723 174.6526 69 W 4.8986 9.1091 127.5850 55.3364 30.6091 175.0915 70 D 5.0022 9.2716 127.3497 53.1756 41.6414 175.0079 71 I 4.5752 8.0122 127.3737 58.8408 39.4979 176.2642 72 G 3.7106 8.4209 114.2420 47.0212 0.0000 173.5965 73 G 4.8937 8.7192 109.8292 44.3192 0.0000 173.9700 74 Q 4.1440 8.1574 119.5710 55.3339 29.7341 175.4609 75 P 4.1008 0.0000 0.0000 66.0544 31.1251 179.0061 76 R 3.8912 7.6493 112.2908 58.1360 29.7533 177.5981 77 F 4.9329 7.9805 117.9068 58.2580 39.6859 177.8327 78 R 2.5726 7.6550 118.2555 58.3760 29.4395 178.7645 79 S 4.1710 7.8959 112.1323 60.7313 63.4740 174.7080 80 M 4.5216 8.1008 119.8151 55.6064 32.7737 177.9119 81 W 4.5685 8.2861 120.0505 59.9548 29.3281 177.6262 82 E 4.0180 8.4797 118.4269 59.6159 28.9079 178.8532 83 R 3.8676 8.0316 115.9352 59.6395 30.2344 178.3252 84 Y 3.6583 7.7906 114.6296 60.5464 38.0797 177.4646 85 C 4.3760 8.1088 117.4488 60.6015 28.4843 174.1453 86 R 4.0299 7.1718 119.7298 57.5304 29.9458 177.2957 87 G 3.9589 8.9004 110.2627 45.5259 0.0000 174.0163 88 V 4.0732 7.1977 112.3077 60.7896 32.4246 176.1448 89 N 4.6789 8.6260 119.8501 56.4520 39.1798 175.4897 90 A 4.9323 7.9339 117.5868 50.9422 23.0817 175.0838 91 I 4.8275 8.7274 121.3507 59.6443 39.7801 174.8845 92 V 4.5216 8.7994 127.6326 61.3731 33.5057 173.6679 93 Y 4.5778 8.7821 130.5190 56.0989 40.2610 173.8062 94 M 4.4559 8.4068 128.1759 54.5260 34.0504 174.8810 95 I 4.5282 8.4318 125.9857 59.3823 41.7065 174.4994 96 D 4.8107 8.7593 125.8073 53.6432 40.7590 176.4671 97 A 4.0750 9.1470 130.1330 54.1950 18.6814 178.8911 98 A 4.2167 8.0051 117.3972 53.2511 19.5281 177.8116 99 D 4.7289 7.6679 117.6630 52.4321 39.9338 176.8479 100 R 4.0463 7.9530 122.5993 58.5978 30.8355 179.1366 101 E 4.0329 8.2081 116.4982 58.9233 29.6570 177.7990 102 K 4.3707 8.0329 116.5224 57.0440 32.9939 178.7606 103 I 3.7299 7.7642 120.8137 64.3008 36.9012 177.5491 104 E 3.9010 8.2833 119.3818 59.4334 29.4115 178.6903 105 A 4.0111 7.9729 120.1610 55.0868 18.5368 179.3584 106 S 4.2469 8.4740 111.9984 61.5177 62.5266 176.2100 107 R 3.9013 8.7518 121.7961 59.6730 29.7494 178.1161 108 N 4.3560 8.3625 116.1539 56.5897 38.5991 177.3516 109 E 4.0196 8.5216 119.9483 59.0842 29.5347 179.2772 110 L 3.6080 8.0047 120.5439 58.4280 41.9880 178.7887 111 H 4.0778 8.2753 116.2008 58.7669 28.3687 177.3182 112 N 4.3264 8.3203 118.4191 56.4587 39.1151 176.4287 113 L 4.2237 8.1020 121.7534 58.2291 42.1556 178.6052 114 L 4.2799 7.7745 115.9310 56.3515 41.7773 178.2122 115 D 4.7268 7.7351 118.1387 54.6514 41.1211 176.3778 116 K 4.1882 7.7765 120.7532 55.1270 32.2135 175.8267 117 P 4.2312 0.0000 0.0000 65.9879 31.0503 178.3863 118 Q 4.1179 8.0215 115.9248 57.8529 28.8667 176.4824 119 L 4.4324 8.1430 118.0596 54.1408 41.8395 175.9284 120 Q 4.0852 7.7094 120.6259 58.1431 29.0016 177.6077 121 G 3.9802 10.3756 114.0417 45.3921 0.0000 173.4198 122 I 3.9675 7.2608 121.6227 60.4835 37.5827 174.6014 123 P 4.7755 0.0000 0.0000 62.7944 32.8807 175.3886 124 V 4.8657 8.9234 122.2685 61.0098 35.0446 173.8270 125 L 4.2323 8.7682 129.9475 53.0669 44.1992 174.8579 126 V 4.5544 8.5928 127.5227 61.3754 33.4801 174.3251 127 L 4.9076 8.8187 128.3344 53.0624 44.4116 176.2216 128 G 4.1395 9.0894 113.6635 45.1223 0.0000 172.5241 129 N 5.0114 9.1931 126.5567 53.5267 41.2952 174.2392 130 K 4.3337 8.5805 116.9327 57.3842 29.0436 178.4810 131 R 3.9262 8.0002 121.7122 59.2584 29.7986 177.3037 132 D 4.4971 8.0497 116.5032 55.2132 39.9731 176.1382 133 L 4.3055 7.9320 121.1493 52.8515 42.5702 174.5006 134 P 4.2153 0.0000 0.0000 64.5237 31.4845 176.0684 135 N 4.4258 8.9905 117.9269 53.3105 37.5114 173.8979 136 A 4.1560 7.4452 120.2203 52.5213 18.8667 177.9576 137 L 4.1052 8.4487 124.2494 54.6839 42.3860 177.7905 138 D 4.7683 8.3107 122.6264 52.2675 42.6274 177.1538 139 E 3.9430 8.5538 117.7357 59.6236 29.3307 179.4253 140 K 3.9161 8.1111 117.9342 59.8196 32.1795 179.2351 141 Q 3.9993 8.7549 118.4254 58.7925 28.5039 178.8225 142 L 3.9857 8.1708 120.1856 57.8069 41.7185 179.4542 143 I 3.6643 7.9902 120.0286 64.4012 37.1271 178.1549 144 E 3.9123 8.3352 119.9654 59.4531 29.3601 179.0774 145 K 4.0646 8.3447 117.2865 59.3245 32.2660 177.9513 146 M 4.2310 8.3588 116.4955 54.9369 32.5031 175.3035 147 N 4.1822 7.9937 117.3203 54.3632 38.2767 175.9062 148 L 4.0697 7.9777 118.3190 57.6848 42.1657 180.3591 149 S 4.1825 8.0155 113.3581 60.9980 62.9187 175.2727 150 A 4.0348 7.6560 122.0343 54.0811 18.2607 177.4547 151 I 4.0833 7.5028 117.4422 60.8437 36.7376 175.4259 152 Q 4.5103 8.5182 123.8557 56.3471 30.1819 176.8102 153 D 4.7287 8.0779 116.4117 54.1950 40.0367 175.4814 154 R 4.7138 7.2371 114.0855 54.7486 33.1672 174.2857 155 E 4.2347 8.7959 121.2323 56.3054 30.7280 175.1252 156 I 5.1086 8.3904 126.3417 59.4267 41.2034 173.6231 157 C 4.8054 8.7231 128.1166 57.6578 35.3576 172.1076 158 C 4.9244 8.1126 123.0197 57.9636 34.0613 172.5079 159 Y 5.2553 8.5138 123.2983 56.2652 41.4032 174.4857 160 S 5.1204 9.0775 117.8453 57.4572 63.6452 173.0895 161 I 4.9285 8.7580 119.5064 59.3901 41.8686 174.0047 162 S 4.8048 8.9570 117.1930 56.7275 64.4044 174.4276 163 C 4.1943 9.3210 126.5778 62.8063 28.3559 176.4014 164 K 3.9127 8.2397 119.5054 59.2299 31.8070 177.0672 165 E 4.4499 8.2935 114.7441 55.0571 29.7876 175.8801 166 K 3.8048 7.2993 117.5068 57.3072 30.4265 174.6568 167 D 4.6208 8.2748 117.6859 53.9708 42.0314 175.7951 168 N 4.4515 8.9031 121.8293 54.5604 36.4981 176.2853 169 I 3.9070 7.6844 121.9546 64.4596 37.1370 177.8022 170 D 4.4031 8.0765 119.5965 57.4509 40.7650 178.8030 171 I 3.7672 7.6645 113.0112 64.0534 37.5597 178.2153 172 T 4.1749 7.6865 116.9332 66.5801 68.3016 176.1172 173 L 4.0994 8.2027 122.1760 58.2962 42.1094 178.6691 174 Q 4.0152 8.3783 119.4470 59.0247 28.7666 178.1840 175 W 4.3232 8.2864 128.0157 60.5101 31.0255 177.5101 176 L 4.4396 8.4983 118.8776 58.2970 41.2816 179.4431 177 I 3.7324 8.1261 119.6569 64.7756 36.8806 178.1753 178 Q 4.1569 8.0595 116.7759 57.6358 27.4228 177.0857 179 H 4.6474 7.9506 118.0582 55.3034 29.4921 176.1920 180 S 4.0021 7.8238 116.7434 58.8627 63.3378 174.3579 181 K 4.1505 7.2685 125.7856 56.9605 32.2863 175.4124 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 16 S 8.33 4.35 0.00 3.84 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 17 K 8.52 4.16 0.00 1.88 1.71 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 18 E 9.91 4.90 0.00 2.03 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 2.40 2.27 0.00 19 E 8.67 5.30 0.00 1.83 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 2.20 2.27 0.00 20 M 9.15 5.08 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 21 E 9.98 5.27 0.00 2.09 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 2.50 2.58 0.00 22 L 9.22 5.81 0.00 1.68 1.61 1.08 0.70 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 23 T 8.63 5.13 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 24 L 9.12 4.96 0.00 1.74 1.71 0.81 0.97 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 25 V 8.85 4.15 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 -0.25 0.00 0.00 0.62 0.00 0.00 26 G 7.44 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 0.00 0.00 0.00 27 L 8.29 4.52 0.00 1.77 1.68 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.31 3.78 0.00 1.40 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.95 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 29 Y 8.29 3.96 0.00 3.23 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 30 S 7.67 4.18 0.00 3.86 3.95 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 31 G 8.60 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 32 K 8.56 3.86 0.00 1.75 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.40 7.81 33 T 7.73 4.13 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 1.19 0.00 0.00 34 T 7.93 3.87 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 1.25 0.00 0.00 35 F 8.46 4.19 0.00 3.11 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 36 V 7.76 3.32 2.18 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 0.94 0.00 0.00 1.03 0.00 0.00 37 N 7.87 4.22 0.00 2.88 2.85 0.00 0.00 7.06 7.14 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 38 V 7.76 3.68 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 0.80 0.00 0.00 1.00 0.00 0.00 39 I 7.42 3.68 1.56 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 0.51 -0.21 0.72 0.00 0.00 40 A 8.33 3.82 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 *52 V 7.37 3.79 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 0.63 0.00 0.00 0.68 0.00 0.00 53 G 8.05 2.73 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 0.00 0.00 0.00 54 F 7.00 5.42 0.00 2.97 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 55 N 9.10 4.92 0.00 2.71 2.59 0.00 0.00 6.98 7.81 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 56 M 8.77 4.71 0.00 1.68 0.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 57 R 8.47 4.66 0.00 1.64 1.63 0.00 3.07 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 58 K 8.53 4.96 0.00 1.54 1.65 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.28 7.81 59 V 8.81 4.40 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 0.95 0.00 0.00 0.84 0.00 0.00 60 T 8.49 5.04 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 1.27 0.00 0.00 61 K 9.32 4.48 0.00 1.70 1.64 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 62 G 9.56 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 63 N 8.41 4.35 0.00 2.99 2.92 0.00 0.00 6.45 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 64 V 7.57 4.86 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 0.85 0.00 0.00 0.98 0.00 0.00 65 T 8.84 4.87 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 1.19 0.00 0.00 66 I 8.98 4.69 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.96 0.00 0.00 67 K 8.99 4.59 0.00 1.78 1.70 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 1.13 7.81 68 I 8.80 4.91 1.79 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 1.26 0.99 0.96 0.00 0.00 69 W 9.11 4.90 0.00 3.42 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 70 D 9.27 5.00 0.00 2.75 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 71 I 8.01 4.58 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.93 0.00 0.00 72 G 8.42 3.71 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 0.00 0.00 0.00 73 G 8.72 4.89 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 0.00 0.00 0.00 74 Q 8.16 4.14 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 75 P 0.00 4.10 0.00 2.05 2.05 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 76 R 7.65 3.89 0.00 1.66 1.80 0.00 2.53 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 77 F 7.98 4.93 0.00 3.40 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 78 R 7.66 2.57 0.00 1.42 1.01 0.00 2.82 0.00 0.00 2.82 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.45 0.00 79 S 7.90 4.17 0.00 3.97 3.95 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 80 M 8.10 4.52 0.00 2.48 2.39 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.77 0.00 81 W 8.29 4.57 0.00 3.60 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 82 E 8.48 4.02 0.00 2.12 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 2.42 2.47 0.00 83 R 8.03 3.87 0.00 1.65 1.75 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 84 Y 7.79 3.66 0.00 3.00 2.96 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 85 C 8.11 4.38 0.00 3.21 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 86 R 7.17 4.03 0.00 1.88 1.83 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 87 G 8.90 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 88 V 7.20 4.07 2.35 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 0.86 0.00 0.00 1.12 0.00 0.00 89 N 8.63 4.68 0.00 2.85 3.11 0.00 0.00 6.69 7.44 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 90 A 7.93 4.93 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 91 I 8.73 4.83 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.92 0.00 0.00 92 V 8.80 4.52 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 0.70 0.00 0.00 0.97 0.00 0.00 93 Y 8.78 4.58 0.00 3.01 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 94 M 8.41 4.46 0.00 1.86 1.62 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 95 I 8.43 4.53 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.98 0.00 0.00 96 D 8.76 4.81 0.00 2.77 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 97 A 9.15 4.08 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 98 A 8.01 4.22 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 99 D 7.67 4.73 0.00 2.92 2.60 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 0.00 100 R 7.95 4.05 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 101 E 8.21 4.03 0.00 2.14 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 2.33 2.35 0.00 102 K 8.03 4.37 0.00 2.04 1.89 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.59 7.81 103 I 7.76 3.73 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.94 0.00 0.00 104 E 8.28 3.90 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 2.40 2.40 0.00 105 A 7.97 4.01 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 0.00 106 S 8.47 4.25 0.00 4.09 4.15 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 0.00 107 R 8.75 3.90 0.00 1.99 2.15 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 108 N 8.36 4.36 0.00 2.95 2.87 0.00 0.00 7.12 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 0.00 109 E 8.52 4.02 0.00 2.35 2.29 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 2.60 2.50 0.00 110 L 8.00 3.61 0.00 0.46 1.46 0.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.28 4.08 0.00 3.20 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.32 4.33 0.00 2.74 2.91 0.00 0.00 7.19 8.44 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 0.00 113 L 8.10 4.22 0.00 2.24 1.95 1.19 0.68 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 0.00 114 L 7.77 4.28 0.00 1.61 1.67 0.80 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 0.00 115 D 7.74 4.73 0.00 2.83 2.73 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 0.00 116 K 7.78 4.19 0.00 1.85 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.57 7.81 117 P 0.00 4.23 0.00 2.21 2.33 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 118 Q 8.02 4.12 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.22 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 119 L 8.14 4.43 0.00 1.81 1.70 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.71 4.09 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 121 G 10.38 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 0.00 122 I 7.26 3.97 1.91 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 1.25 0.71 1.00 0.00 0.00 123 P 0.00 4.78 0.00 2.23 2.09 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 124 V 8.92 4.87 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 0.86 0.00 0.00 0.96 0.00 0.00 125 L 8.77 4.23 0.00 0.27 0.94 -0.32 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.59 4.55 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 0.92 0.00 0.00 0.82 0.00 0.00 127 L 8.82 4.91 0.00 1.34 1.36 0.30 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 128 G 9.09 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 0.00 129 N 9.19 5.01 0.00 2.78 2.91 0.00 0.00 7.20 6.71 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 0.00 130 K 8.58 4.33 0.00 2.04 1.93 0.00 2.37 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.38 7.81 131 R 8.00 3.93 0.00 1.90 2.04 0.00 3.26 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 132 D 8.05 4.50 0.00 2.97 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 0.00 133 L 7.93 4.31 0.00 1.85 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.22 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 135 N 8.99 4.43 0.00 2.89 3.06 0.00 0.00 7.03 7.96 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 0.00 136 A 7.45 4.16 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 0.00 137 L 8.45 4.11 0.00 1.64 1.62 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.31 4.77 0.00 2.95 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 0.00 139 E 8.55 3.94 0.00 2.11 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 2.67 2.54 0.00 140 K 8.11 3.92 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.56 7.81 141 Q 8.75 4.00 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 142 L 8.17 3.99 0.00 1.84 1.71 0.92 0.82 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 0.00 143 I 7.99 3.66 2.01 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 1.00 0.91 0.00 0.00 144 E 8.34 3.91 0.00 2.03 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 2.31 2.35 0.00 145 K 8.34 4.06 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 146 M 8.36 4.23 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 147 N 7.99 4.18 0.00 2.92 2.75 0.00 0.00 7.13 6.64 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 0.00 148 L 7.98 4.07 0.00 1.74 1.66 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.02 4.18 0.00 3.86 3.93 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 0.00 150 A 7.66 4.03 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 0.00 151 I 7.50 4.08 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.87 0.00 0.00 152 Q 8.52 4.51 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 153 D 8.08 4.73 0.00 2.81 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 0.00 154 R 7.24 4.71 0.00 1.96 1.91 0.00 3.05 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 155 E 8.80 4.23 0.00 2.15 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 2.68 2.47 0.00 156 I 8.39 5.11 1.85 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 1.14 1.10 0.89 0.00 0.00 157 C 8.72 4.81 0.00 2.90 1.67 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 0.00 158 C 8.11 4.92 0.00 2.82 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 0.00 159 Y 8.51 5.26 0.00 2.82 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 0.00 160 S 9.08 5.12 0.00 3.90 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 0.00 161 I 8.76 4.93 2.01 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 1.09 0.91 0.99 0.00 0.00 162 S 8.96 4.80 0.00 3.87 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 0.00 163 C 9.32 4.19 0.00 3.11 3.04 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 0.00 164 K 8.24 3.91 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 165 E 8.29 4.45 0.00 2.00 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 2.27 2.26 0.00 166 K 7.30 3.80 0.00 1.79 1.85 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 167 D 8.27 4.62 0.00 2.74 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 0.00 168 N 8.90 4.45 0.00 3.03 2.77 0.00 0.00 7.15 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 0.00 169 I 7.68 3.91 1.90 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 1.60 1.00 0.95 0.00 0.00 170 D 8.08 4.40 0.00 2.68 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 0.00 171 I 7.66 3.77 1.53 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 0.80 0.00 0.00 172 T 7.69 4.17 4.65 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 1.43 0.00 0.00 173 L 8.20 4.10 0.00 2.11 1.74 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.38 4.02 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 175 W 8.29 4.32 0.00 3.70 3.53 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 0.00 176 L 8.50 4.44 0.00 2.13 1.90 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 177 I 8.13 3.73 2.02 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 1.55 1.10 0.92 0.00 0.00 178 Q 8.06 4.16 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.35 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 179 H 7.95 4.65 0.00 3.02 3.08 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 7.82 4.00 0.00 4.01 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 0.00 181 K 7.27 4.15 0.00 2.08 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.