NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3248 8.1233 123.5788 51.8033 19.4034 177.0122 3 L 3.6520 7.8271 123.0379 56.7839 42.0086 173.7496 4 V 3.2611 8.2803 113.1570 64.4584 31.9458 177.9381 5 D 4.4324 7.9352 118.2805 57.1601 40.6712 178.8556 6 G 3.4992 8.1835 106.5808 47.5504 0.0000 175.3378 7 F 4.1859 8.6173 123.5953 61.2658 39.4145 177.2687 8 L 3.8256 8.0594 118.3867 57.5811 41.4443 179.4390 9 E 3.8747 8.1762 118.5210 59.3301 29.2089 179.2090 10 L 3.7718 7.7259 117.8758 58.0186 42.0335 179.2747 11 E 3.9795 8.3664 118.5744 58.9523 29.1044 178.7350 12 R 4.2195 7.6486 116.7403 56.1847 30.7520 176.7561 13 S 4.5821 7.0620 112.7362 59.1235 63.3987 174.7431 14 S 4.3232 9.2764 118.4425 59.6108 63.3006 174.3525 15 G 3.9550 7.2687 106.5584 44.5468 0.0000 173.0817 16 K 4.0021 8.2480 118.8513 59.3924 32.1431 178.9539 17 L 3.9384 8.0084 120.1599 58.3455 41.9178 178.4664 18 E 3.9321 8.1711 118.4078 58.9849 29.6785 178.1851 19 W 4.0412 8.4936 128.8053 60.5674 30.7024 177.9864 20 S 4.2713 9.0398 114.2339 61.4919 62.3197 176.2671 21 A 3.9712 8.1059 124.4747 54.7771 17.9124 179.5851 22 I 3.5075 7.5689 117.1373 64.4638 37.2823 178.1000 23 L 3.8125 7.3039 119.5250 58.1644 42.1518 178.6118 24 Q 4.2268 8.3512 118.3491 58.8057 28.6081 179.5475 25 K 4.1043 8.0720 115.8339 57.2189 31.7652 178.5639 *27 A 4.4915 7.9501 124.6657 52.5482 20.6941 180.1132 28 S 4.6952 8.7179 111.5164 61.5244 63.0726 176.5981 29 D 4.3650 8.5148 118.9960 57.2943 40.6155 177.9617 30 L 4.1205 7.9330 119.3812 56.2309 42.3258 176.9823 31 G 3.7944 7.9071 105.2324 45.2398 0.0000 173.2992 32 F 4.9041 8.8893 120.5107 55.9891 40.3011 176.6977 33 S 4.5850 8.5375 119.9094 59.5086 64.2833 174.6735 34 K 5.1670 8.1758 119.0023 54.5999 36.2040 175.1680 35 I 5.2544 9.6384 123.5086 59.3691 42.1380 173.3941 36 L 4.9480 9.0125 129.9529 53.0674 45.4014 174.5611 37 F 5.1803 9.6145 129.0395 56.4812 41.6596 174.0904 38 G 4.3932 8.7635 113.8311 44.3133 0.0000 171.1648 39 L 5.1937 9.0878 124.9588 53.4078 46.0679 174.6501 40 L 5.4138 9.5656 126.5312 52.2005 45.6048 174.4107 41 P 4.1434 0.0000 0.0000 61.3901 33.1406 175.3748 42 K 4.3184 8.0696 120.3799 57.5933 32.2279 176.5494 43 D 4.5490 8.7163 123.3788 54.5212 38.7115 173.7586 44 S 4.5510 7.5599 114.0431 57.1203 63.2832 173.6429 45 Q 3.9257 8.0062 124.6616 55.7617 29.4684 175.8672 46 D 4.5018 7.6791 117.1340 54.1416 39.8537 176.1840 47 Y 4.3370 7.2257 119.0598 61.3278 38.3864 178.3050 48 E 4.3330 8.2746 117.4716 57.8842 29.9258 177.0746 49 N 4.8338 8.0618 116.3395 52.6519 39.5821 174.4630 50 A 4.4083 8.0454 119.2144 51.5891 19.8990 177.8331 51 F 4.3490 9.1894 122.4448 58.1151 40.3062 174.3678 52 I 4.9007 7.7304 126.5254 59.3941 40.2021 175.1154 53 V 4.2358 9.8013 126.1727 61.5920 35.0537 175.4221 54 G 3.7168 7.8778 111.5136 44.4535 0.0000 173.6159 55 N 5.1491 8.2197 120.8846 52.4331 37.9552 174.0771 56 Y 4.4279 8.4951 115.6178 58.6026 38.6697 175.3007 57 P 4.2917 0.0000 0.0000 63.2643 32.6258 177.2498 58 A 4.0559 8.9523 124.0977 55.4781 18.3158 179.5083 59 A 3.9863 8.0778 118.6241 54.8894 18.4575 179.5892 60 W 4.4016 8.1708 126.3811 60.9219 31.0190 178.0244 61 R 3.7470 8.2546 118.0691 59.4508 29.4409 178.8731 62 E 3.8865 8.4430 118.1525 59.6011 29.4771 178.6741 63 H 4.0331 8.0533 118.1543 59.4899 29.8971 176.1724 64 Y 3.4513 7.6541 121.4501 60.8876 38.5859 178.2093 65 D 4.5170 8.0775 119.6647 57.3645 40.7536 179.0351 66 R 3.9102 8.0227 115.5761 58.7788 29.5823 177.8650 67 A 4.0845 8.1602 119.2247 50.9700 19.1502 177.0226 68 G 3.8863 7.7047 105.5232 46.3451 0.0000 175.8484 69 Y 4.1373 7.6164 118.5940 59.7524 38.1435 178.4676 70 A 3.5661 7.6576 121.5030 54.2673 18.3206 178.3656 71 R 4.2115 7.6717 112.0249 56.8533 30.6942 177.0468 72 V 3.9083 7.1095 116.4257 63.7498 33.5927 175.1919 73 D 3.4848 7.9328 120.9263 53.9452 41.6691 175.5521 74 P 4.3548 0.0000 0.0000 65.1529 31.4142 178.4625 75 T 3.9207 8.1329 110.2268 64.5209 68.5930 176.9035 76 V 3.4630 7.5782 120.9159 65.7830 31.3552 178.0891 77 S 4.0688 7.8830 113.5822 61.6971 62.7105 175.5098 78 H 4.1962 8.2841 121.8299 59.4380 29.3425 176.8255 79 C 4.1244 7.9096 117.1874 63.1071 28.0226 176.0785 80 T 4.0964 7.7421 109.7799 63.9178 68.3917 175.4844 81 Q 4.5319 7.8093 118.5721 55.1548 30.3227 174.9783 82 S 4.5777 7.1099 112.2114 57.3233 65.2883 173.7738 83 V 4.2639 8.2651 115.9927 61.2052 32.1746 176.1992 84 L 4.5992 7.7737 120.6581 52.3341 43.0400 174.8309 85 P 4.3027 0.0000 0.0000 62.6820 31.9907 175.3003 86 I 4.3767 8.0752 120.2867 59.2670 40.2627 174.4337 87 F 4.6737 8.9356 128.0313 56.6227 40.3047 176.4698 88 W 4.9005 9.1920 123.6209 56.3458 28.0335 175.3921 89 E 5.0257 8.6340 123.3082 53.3703 32.9115 175.4296 90 P 4.1818 0.0000 0.0000 65.9161 31.5334 178.9815 91 S 4.2242 8.1133 111.4020 60.9315 62.9113 175.3718 92 I 3.6589 7.5603 113.5171 62.4467 37.5780 175.4222 93 Y 4.4497 7.4805 119.0921 56.9541 37.2714 174.5347 94 Q 4.4049 9.2220 125.0064 57.0953 30.8917 177.6996 95 T 4.3496 7.7011 107.6448 60.6557 71.4380 175.8341 96 R 3.9878 8.3910 119.9986 59.4785 30.1370 179.3676 97 K 4.0069 8.0896 117.6946 59.7343 32.0599 179.2422 98 Q 4.1866 8.2392 118.2478 59.1284 28.6023 178.4501 99 H 4.2058 8.4246 117.4512 58.8601 28.8380 177.2490 100 E 3.9196 8.2486 120.9781 59.3156 29.4304 178.3590 101 F 3.7143 8.6171 120.8582 61.2936 39.3263 176.6542 102 F 3.2900 8.4374 120.2945 61.3062 39.1636 176.9866 103 E 3.5965 8.0210 117.8681 59.1601 29.0244 179.3273 104 E 3.7672 7.8195 118.4209 59.0658 29.5878 179.1052 105 A 2.0000 7.2163 121.0738 54.4689 18.1840 179.7016 106 S 3.4832 7.2701 113.6892 61.6072 62.5884 176.8201 107 A 3.7999 7.0605 121.2303 54.7730 18.0463 178.5513 108 A 4.1203 6.6325 116.7443 51.9853 18.5767 178.2155 109 G 3.6848 7.8769 106.7091 45.8777 0.0000 175.2244 110 L 4.5767 6.9623 121.1185 53.1872 40.3467 176.3024 111 V 3.8998 7.5310 120.7145 63.1849 32.7019 176.7304 112 Y 5.0679 7.8378 118.7664 54.7517 39.9579 175.8298 113 G 3.2589 7.9022 110.2287 45.8278 0.0000 170.5861 114 L 4.4147 6.3860 117.9364 54.9509 44.4462 174.8984 115 T 5.4962 8.1807 115.3716 60.4300 72.5956 171.1580 *117 P 4.4873 0.0000 0.0000 63.0639 32.8533 176.2076 118 L 4.6995 8.4091 122.4353 53.3002 44.7119 175.3601 119 H 5.1291 8.8093 120.1209 53.9496 31.6641 173.6803 120 G 3.9182 9.0706 113.3522 44.3397 0.0000 173.3740 121 A 4.1178 8.5574 121.9858 54.3159 18.4598 178.6984 122 R 4.4870 8.4421 114.5959 56.1352 30.6330 177.2927 123 G 3.9324 8.2550 105.1197 45.5079 0.0000 173.9011 124 E 4.4155 7.9851 119.5370 56.4870 30.8083 175.4293 125 L 5.0066 8.7699 125.9704 53.4783 44.7357 175.5771 126 G 4.2890 8.8719 112.1366 45.6849 0.0000 170.8720 127 A 4.8391 8.7661 120.6075 50.1427 22.7911 175.2572 128 L 5.0548 8.5700 124.1369 53.6691 44.2277 174.9307 129 S 5.2525 9.3663 123.4857 56.9689 65.8122 173.6355 130 L 5.0971 8.5489 122.8970 53.2021 45.6332 175.3019 131 S 5.1728 9.7032 119.0676 56.4961 65.0320 172.8908 132 V 4.7170 8.5232 125.1425 59.9131 33.6882 174.9787 133 E 4.3903 8.7619 123.2608 55.5545 30.0510 175.7147 134 A 4.8427 8.3873 125.4899 50.2144 22.4433 175.6229 135 E 4.1611 9.8892 120.7854 59.1387 29.9338 177.4120 136 N 4.9785 7.3092 115.9093 51.3370 41.1536 175.2471 137 R 3.3962 8.4777 119.7883 59.2166 30.0710 178.0535 138 A 3.9079 7.8631 120.1055 55.0635 18.4328 178.8637 139 E 3.7662 8.8622 117.8813 59.3964 29.4696 178.6413 140 A 3.9228 7.3747 119.1064 55.4249 18.4240 179.0266 141 N 4.4004 8.0384 113.4447 56.4981 38.9437 177.3855 142 R 4.1148 8.1050 119.5436 59.2668 30.0351 179.6973 143 F 4.0199 7.9545 116.9298 58.9811 38.7611 176.1009 *145 E 4.2702 8.1915 120.2328 55.6116 31.1296 177.8934 146 S 4.1623 7.7916 113.1009 60.4140 63.1586 175.8328 147 V 4.2675 6.9912 113.5583 60.5123 32.0376 177.0704 148 L 4.0787 7.5143 121.9312 57.9250 41.7540 177.0336 149 P 4.3702 0.0000 0.0000 66.0334 31.3599 178.3985 150 T 4.1139 7.8793 112.9553 66.5801 68.6848 176.0282 151 L 4.2220 8.3133 122.4483 57.7167 41.2081 179.0422 152 W 4.1864 8.4941 124.9176 58.1874 30.2923 177.0264 *154 L 4.5308 7.8434 120.9316 54.5454 43.3393 178.8128 155 K 4.0882 8.3584 118.6070 60.3233 32.1344 178.8159 156 D 4.3601 7.6889 116.7067 57.0655 40.7610 178.2023 157 Y 4.0519 7.8314 116.6129 61.0744 37.8658 178.4172 158 A 4.1261 8.8668 121.8930 55.0791 18.5096 179.3413 159 L 4.4134 8.5159 119.0704 58.5891 42.0291 178.9497 160 Q 4.0844 8.3113 118.2675 59.3845 29.1904 177.9628 161 S 5.1887 8.2827 115.6398 60.9139 62.5650 176.1103 162 G 3.1532 9.2284 109.0417 47.7394 0.0000 175.3657 163 A 4.0757 8.6992 123.6730 54.8787 18.1769 179.9528 164 G 3.5465 7.6700 103.1400 47.0996 0.0000 175.3122 165 L 3.8806 7.1251 121.1408 57.3536 42.3654 178.0492 166 A 2.5800 7.1521 119.8440 54.4098 18.0716 176.9017 167 F 4.8396 7.1543 111.2776 59.0350 42.1677 175.2126 168 E 4.1671 8.0873 124.9020 56.8372 29.2453 177.1022 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 A 8.12 4.32 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 3 L 7.83 3.65 0.00 1.64 1.30 1.15 0.65 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 4 V 8.28 3.26 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 0.82 0.00 0.00 0.90 0.00 0.00 5 D 7.94 4.43 0.00 2.80 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 6 G 8.18 3.50 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 0.00 7 F 8.62 4.19 0.00 2.75 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 8 L 8.06 3.83 0.00 1.85 1.64 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.18 3.87 0.00 2.10 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 2.27 2.29 0.00 10 L 7.73 3.77 0.00 1.61 1.61 0.66 -0.39 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 11 E 8.37 3.98 0.00 1.71 1.78 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 1.47 1.47 0.00 12 R 7.65 4.22 0.00 1.89 1.89 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 13 S 7.06 4.58 0.00 4.13 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 14 S 9.28 4.32 0.00 3.96 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 15 G 7.27 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 0.00 0.00 0.00 16 K 8.25 4.00 0.00 1.91 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.53 1.59 7.81 17 L 8.01 3.94 0.00 1.82 1.69 0.95 0.88 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 18 E 8.17 3.93 0.00 2.11 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 2.39 2.37 0.00 19 W 8.49 4.04 0.00 3.58 3.33 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 20 S 9.04 4.27 0.00 4.13 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 21 A 8.11 3.97 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 22 I 7.57 3.51 1.72 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 1.31 0.65 0.70 0.00 0.00 23 L 7.30 3.81 0.00 0.72 1.37 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.35 4.23 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 25 K 8.07 4.10 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 *27 A 7.95 4.49 1.44 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 0.00 0.00 0.00 28 S 8.72 4.70 0.00 4.03 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 29 D 8.51 4.37 0.00 2.68 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 30 L 7.93 4.12 0.00 1.78 2.21 1.01 1.29 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 31 G 7.91 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 0.00 0.00 0.00 0.00 32 F 8.89 4.90 0.00 3.36 3.12 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 33 S 8.54 4.59 0.00 3.89 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 34 K 8.18 5.17 0.00 1.86 1.96 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.48 7.81 35 I 9.64 5.25 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.49 1.08 0.00 0.00 36 L 9.01 4.95 0.00 0.27 0.88 0.48 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.61 5.18 0.00 3.29 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 38 G 8.76 4.39 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 0.00 39 L 9.09 5.19 0.00 1.58 1.53 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.57 5.41 0.00 1.72 1.51 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.14 0.00 1.63 0.79 0.00 3.63 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 1.82 1.60 0.00 42 K 8.07 4.32 0.00 1.88 1.68 0.00 1.77 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.41 7.81 43 D 8.72 4.55 0.00 2.82 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 44 S 7.56 4.55 0.00 3.75 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 45 Q 8.01 3.93 0.00 1.51 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.40 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 46 D 7.68 4.50 0.00 2.69 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 47 Y 7.23 4.34 0.00 3.07 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 48 E 8.27 4.33 0.00 2.10 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 2.46 2.50 0.00 49 N 8.06 4.83 0.00 2.84 2.79 0.00 0.00 6.92 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 50 A 8.05 4.41 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 51 F 9.19 4.35 0.00 3.07 3.03 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 7.73 4.90 1.71 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 1.13 0.88 0.76 0.00 0.00 53 V 9.80 4.24 2.37 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 1.15 0.00 0.00 0.78 0.00 0.00 54 G 7.88 3.72 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 0.00 0.00 0.00 55 N 8.22 5.15 0.00 2.88 2.91 0.00 0.00 6.93 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 56 Y 8.50 4.43 0.00 2.98 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 57 P 0.00 4.29 0.00 2.30 2.08 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 58 A 8.95 4.06 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 59 A 8.08 3.99 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 60 W 8.17 4.40 0.00 3.42 3.35 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 61 R 8.25 3.75 0.00 2.06 1.96 0.00 3.28 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 62 E 8.44 3.89 0.00 2.16 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 2.33 2.41 0.00 63 H 8.05 4.03 0.00 3.31 3.38 0.00 5.63 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 Y 7.65 3.45 0.00 2.21 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 65 D 8.08 4.52 0.00 2.73 2.70 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 66 R 8.02 3.91 0.00 1.89 2.06 0.00 3.02 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 67 A 8.16 4.08 0.31 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 68 G 7.70 3.89 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 69 Y 7.62 4.14 0.00 1.59 1.92 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 70 A 7.66 3.57 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 71 R 7.67 4.21 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 72 V 7.11 3.91 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 0.58 0.00 0.00 0.90 0.00 0.00 73 D 7.93 3.48 0.00 2.11 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 0.00 0.00 0.00 0.00 74 P 0.00 4.35 0.00 2.08 2.18 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.00 75 T 8.13 3.92 4.37 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 1.24 0.00 0.00 76 V 7.58 3.46 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 0.48 0.00 0.00 0.88 0.00 0.00 77 S 7.88 4.07 0.00 4.05 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 78 H 8.28 4.20 0.00 3.36 3.56 0.00 5.79 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 79 C 7.91 4.12 0.00 3.17 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 80 T 7.74 4.10 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 1.34 0.00 0.00 81 Q 7.81 4.53 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 82 S 7.11 4.58 0.00 3.67 3.47 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 0.00 83 V 8.27 4.26 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 0.83 0.00 0.00 1.02 0.00 0.00 84 L 7.77 4.60 0.00 1.74 1.74 1.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.30 0.00 1.41 1.44 0.00 3.70 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.28 0.00 86 I 8.08 4.38 1.29 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 1.27 1.70 0.91 0.00 0.00 87 F 8.94 4.67 0.00 3.03 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 88 W 9.19 4.90 0.00 3.47 3.34 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 89 E 8.63 5.03 0.00 2.07 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 2.50 2.37 0.00 90 P 0.00 4.18 0.00 2.17 2.02 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 91 S 8.11 4.22 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 92 I 7.56 3.66 1.63 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 1.05 -0.36 0.92 0.00 0.00 93 Y 7.48 4.45 0.00 2.99 2.88 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 94 Q 9.22 4.40 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 95 T 7.70 4.35 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 1.24 0.00 0.00 96 R 8.39 3.99 0.00 1.91 2.06 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 97 K 8.09 4.01 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.57 7.81 98 Q 8.24 4.19 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 99 H 8.42 4.21 0.00 3.39 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.25 3.92 0.00 2.10 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 0.00 2.39 2.38 0.00 101 F 8.62 3.71 0.00 2.75 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 0.00 102 F 8.44 3.29 0.00 1.75 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 0.00 103 E 8.02 3.60 0.00 2.07 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 0.00 2.64 2.52 0.00 104 E 7.82 3.77 0.00 2.15 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 0.00 2.38 2.51 0.00 105 A 7.22 2.00 0.40 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 7.27 3.48 0.00 3.29 3.40 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 0.00 107 A 7.06 3.80 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 0.00 108 A 6.63 4.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 3.68 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 0.00 0.00 0.00 110 L 6.96 4.58 0.00 1.19 1.25 -0.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.53 3.90 1.73 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 0.34 0.00 0.00 0.04 0.00 0.00 112 Y 7.84 5.07 0.00 3.46 2.94 0.00 0.00 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0.00 0.00 0.00 0.00 130 L 8.55 5.10 0.00 0.67 0.65 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 131 S 9.70 5.17 0.00 4.19 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 0.00 132 V 8.52 4.72 2.25 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 0.95 0.00 0.00 0.65 0.00 0.00 133 E 8.76 4.39 0.00 1.94 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 2.32 0.00 134 A 8.39 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.89 4.16 0.00 2.06 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 2.37 2.37 0.00 136 N 7.31 4.98 0.00 2.95 2.90 0.00 0.00 6.37 7.66 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 0.00 137 R 8.48 3.40 0.00 2.10 2.01 0.00 3.32 0.00 0.00 3.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 138 A 7.86 3.91 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 0.00 139 E 8.86 3.77 0.00 2.02 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 2.22 2.29 0.00 140 A 7.37 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.04 4.40 0.00 2.80 2.82 0.00 0.00 7.13 8.48 0.00 0.00 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 R 8.10 4.11 0.00 2.03 2.00 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 143 F 7.95 4.02 0.00 3.08 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 *145 E 8.19 4.27 0.00 2.10 1.92 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 2.26 2.31 0.00 146 S 7.79 4.16 0.00 4.05 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 0.00 147 V 6.99 4.27 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 0.54 0.00 0.00 0.45 0.00 0.00 148 L 7.51 4.08 0.00 1.89 1.81 1.12 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.37 0.00 2.10 2.12 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 150 T 7.88 4.11 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 1.29 0.00 0.00 151 L 8.31 4.22 0.00 2.00 1.89 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.49 4.19 0.00 3.80 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 *154 L 7.84 4.53 0.00 1.97 1.96 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.36 4.09 0.00 2.04 2.01 0.00 1.24 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.19 1.65 7.81 156 D 7.69 4.36 0.00 2.59 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 0.00 157 Y 7.83 4.05 0.00 3.29 3.06 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 0.00 158 A 8.87 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.41 0.00 2.02 2.05 1.06 1.11 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 0.00 160 Q 8.31 4.08 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 161 S 8.28 5.19 0.00 4.24 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 0.00 162 G 9.23 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 0.00 0.00 0.00 163 A 8.70 4.08 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 0.00 164 G 7.67 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.13 3.88 0.00 1.06 0.99 0.75 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.15 2.58 -0.61 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 0.00 167 F 7.15 4.84 0.00 3.01 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 0.00 168 E 8.09 4.17 0.00 1.96 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 2.34 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.