NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3883 8.3293 119.1287 55.4071 28.9498 173.7731 4 N 4.8599 8.1673 119.4610 51.9186 39.0311 173.0986 5 K 5.1718 8.8608 119.1802 55.4991 34.9601 176.9861 6 I 4.9010 9.0200 123.5876 59.9672 41.7649 174.2701 7 T 5.3316 8.7405 121.1319 61.8826 71.2235 173.5719 8 A 4.6324 9.3058 128.2285 51.8146 22.3467 176.2472 9 G 4.1112 9.8414 109.5867 46.5678 0.0000 174.6215 10 G 3.9563 8.5695 104.9119 45.2894 0.0000 173.9872 11 L 4.6512 8.2155 122.3580 53.2615 44.0515 175.7509 12 E 4.9732 8.0837 119.2275 55.5545 31.7258 175.1937 13 F 5.1692 9.5959 121.6295 55.0196 43.6302 173.8602 14 L 5.3477 9.2136 121.4819 52.9400 44.8140 175.7892 15 V 4.3449 8.1828 122.7976 60.0195 33.4604 175.1614 16 R 4.3730 7.5480 117.4114 55.0843 32.9736 173.9587 17 F 4.5036 8.6353 119.3461 56.9421 39.6890 175.3808 18 A 4.3561 8.8830 125.1892 52.5045 19.0037 176.7224 19 A 4.7708 9.2927 123.0839 49.2646 22.3893 175.8809 20 P 4.2733 0.0000 0.0000 66.2692 31.0588 178.8117 21 T 4.1274 7.8285 105.5323 63.5329 69.0863 174.9640 22 D 4.6372 8.2730 121.9077 54.8450 41.1356 178.0094 23 R 3.8958 7.7870 120.3885 59.5224 30.1173 178.2684 24 L 3.9914 7.8679 118.1434 57.8222 41.6821 179.5324 25 K 4.0391 8.0091 117.9352 59.2974 31.7854 179.3443 26 I 3.6912 7.5919 119.3574 64.4331 37.1521 177.5864 27 N 4.4454 8.1420 116.1901 56.7470 38.6619 176.7142 28 D 4.5480 8.1298 119.8227 57.1647 40.8846 179.3841 29 L 4.2777 7.7166 118.2198 55.5644 41.9043 178.6837 *31 I 3.9569 7.6902 118.8304 60.9032 39.1271 177.7040 32 D 4.3208 8.1148 119.1214 57.2471 40.7974 178.4789 33 T 4.0160 7.8893 116.3773 66.5020 68.5401 176.4528 34 A 3.9690 7.3678 122.1246 55.2264 18.4102 179.6920 35 R 3.8851 8.0849 116.4865 59.1400 30.0877 179.0935 36 W 4.3803 8.2924 128.0728 60.5284 30.5049 177.7611 37 L 3.8518 8.0159 117.9404 57.7697 41.4439 179.2847 38 K 4.1159 8.0493 119.0778 59.6530 31.9947 178.6193 39 E 4.0498 8.5638 118.1150 59.4572 29.5403 179.0888 40 S 4.4436 8.3721 112.2478 58.7150 63.3823 175.1676 41 G 3.8861 7.6570 110.4137 46.3160 0.0000 174.1777 42 S 4.5500 7.5887 111.9657 57.7171 63.4808 174.6366 43 T 4.0364 7.7623 118.3193 64.3939 68.8826 173.2991 44 Q 4.8006 8.5115 123.8721 53.2043 32.0414 176.8220 45 W 4.3348 8.6835 117.1381 59.6686 27.9108 178.5479 46 S 3.3450 7.0534 114.8428 61.1212 62.2624 176.1103 47 D 4.2069 7.8914 122.3867 57.1318 40.3045 178.7247 48 I 3.7393 7.6102 119.0395 64.1252 37.2260 177.8512 49 L 4.0320 7.7043 120.1538 58.6651 42.0850 178.4873 50 H 4.1586 8.0003 115.0678 57.8447 29.1388 177.1816 51 G 3.9636 8.1498 108.7047 44.7915 0.0000 171.8310 52 F 4.6246 8.5572 116.3363 55.6154 42.2463 176.0233 53 D 4.7684 8.6214 126.3967 53.9959 39.3929 176.4250 54 V 3.8273 7.4895 114.5942 64.6131 32.4361 178.2233 55 H 4.4439 8.1767 115.7156 57.8489 29.0513 175.6447 56 N 5.0618 8.0956 116.1770 52.5632 39.4931 176.2119 57 I 3.7432 7.9353 121.4731 64.2705 37.8368 177.5473 58 E 3.9793 8.1270 119.1941 59.1889 29.3748 178.8055 59 Q 3.9347 8.0261 119.1725 59.2113 29.1431 178.1722 60 R 3.9404 8.0413 119.0290 59.4527 30.1358 179.1198 61 I 3.7113 7.9216 119.3522 64.4327 36.9326 177.9937 62 E 3.9438 8.1162 118.8447 59.1923 29.5429 178.1137 63 L 4.3196 7.9238 115.8853 54.1674 42.0643 176.9129 64 G 3.6693 7.8259 107.0071 46.9665 0.0000 174.0669 65 E 4.8567 8.4135 116.6669 54.7930 31.1672 175.6438 66 V 4.6801 7.8987 120.2934 61.1340 34.7412 173.7945 67 A 4.5545 8.7096 129.9571 50.3336 21.1230 175.2450 68 L 5.0094 8.3872 122.6573 52.8555 45.1246 175.8808 69 F 4.8411 9.1053 120.8556 55.9355 41.9991 173.8911 70 E 5.4246 9.1934 124.0746 54.3858 33.0585 176.3201 71 T 4.1240 8.3807 112.7357 61.0029 70.0295 175.4384 72 E 3.7720 7.8631 122.0557 59.5737 29.5086 178.8971 73 A 3.9980 7.7311 119.5338 53.3911 18.6227 177.9664 74 G 3.9771 8.1285 103.9142 44.8332 0.0000 173.9601 75 A 4.0490 7.9903 123.4423 51.7165 18.8532 177.5587 76 L 4.6113 8.3212 123.8284 54.1334 41.1543 176.1496 77 A 4.3585 8.3988 129.9994 53.7676 19.1447 177.5413 78 G 4.3515 7.7088 101.7712 45.0567 0.0000 171.9966 79 A 5.7587 7.9184 121.2209 50.2943 22.3229 175.1367 *81 I 4.1381 8.0968 117.1570 61.7838 38.7544 175.5192 82 I 4.7881 8.5954 129.2190 59.2301 39.0680 175.0102 83 R 4.1984 8.9546 127.7220 56.1000 30.4817 178.1263 84 K 3.8142 9.3661 123.7273 57.2229 32.8013 176.9913 85 T 4.8606 7.4449 107.7645 58.5436 71.7797 171.8966 86 P 3.8962 0.0000 0.0000 62.4030 31.9507 177.0273 87 S 4.4181 8.6771 116.5991 58.2028 65.2070 175.0027 88 D 4.3453 8.5561 120.3882 57.0795 40.4264 178.7874 89 W 4.0708 8.1652 128.5601 60.5734 30.9249 177.5369 90 D 4.4293 8.1992 118.8910 57.7831 40.0463 179.0945 91 T 3.8341 7.9431 116.1373 66.5877 68.2229 176.3068 92 D 4.2020 7.6933 118.8019 57.2392 41.3243 177.7539 93 L 3.6528 7.6505 120.1055 57.4347 42.3392 178.2675 94 W 4.0749 8.3711 117.4720 55.5929 29.6709 177.6401 95 E 3.5372 8.4655 118.9282 57.3475 28.6922 178.6702 96 D 4.4752 8.8897 127.7694 57.8738 40.8591 176.9017 97 L 4.2594 8.2393 118.1551 55.9728 41.9729 178.6721 98 A 4.1710 8.0382 121.7933 54.5318 18.3820 178.7112 99 I 3.9903 7.6969 107.9808 62.7579 38.2330 176.3747 100 D 4.5137 7.9352 121.5326 53.7915 41.1675 175.8394 101 K 4.2155 8.6053 123.8282 56.8686 33.0177 175.3765 102 A 4.7696 8.4559 126.9985 51.3377 22.1244 174.5706 103 Y 5.1549 8.4200 117.8131 56.8102 40.7775 174.4441 104 Y 5.0357 8.9650 120.6420 56.1946 40.8039 174.8664 105 L 4.6952 8.9582 125.9195 54.9397 41.7760 176.5741 106 H 4.5341 9.2641 122.4290 57.9091 29.5606 176.4667 107 R 4.4650 7.7748 115.4389 55.1183 32.7989 173.6915 108 I 4.3640 8.0384 124.8411 59.2480 40.1850 174.8407 *110 V 4.0246 7.9841 120.1959 62.5425 32.1631 175.2961 111 S 4.4575 8.8923 122.0217 58.1320 63.6725 175.4086 112 R 3.3582 8.4921 120.8353 59.2656 29.8541 179.1595 113 A 3.6687 7.7657 119.0395 54.1834 18.4018 177.8450 114 F 4.8426 7.6744 113.1145 57.3880 39.6194 175.8466 115 S 4.4894 7.6720 117.0460 59.2016 63.4478 174.9033 116 G 4.0368 9.0112 109.4628 45.8889 0.0000 173.8224 117 I 4.5756 7.1878 111.5406 60.0527 38.2729 175.5318 118 S 3.7276 8.2704 114.0999 60.0058 60.4671 174.5889 119 L 3.8953 7.2899 120.7889 57.9612 42.1783 179.0617 120 S 3.9901 7.9627 112.3297 61.0867 63.3778 175.5073 121 K 4.1328 7.8066 119.2837 59.4727 32.0908 179.0441 122 Q 4.5395 7.7651 117.7875 56.3300 28.4587 178.4103 *124 I 4.1727 7.9359 120.3090 61.6602 39.2531 177.6674 125 Y 4.5488 8.3303 122.0262 60.1240 38.4219 177.7861 126 F 4.0769 8.7654 121.5768 61.2430 39.4516 176.9265 127 A 4.0127 8.1789 119.8144 55.1756 18.1807 179.1264 128 E 3.8657 8.3353 117.0247 59.6236 29.5449 179.7043 129 K 3.6560 7.7859 118.5276 59.2423 31.8223 179.0511 130 L 3.8861 7.5975 119.7109 58.0602 42.2488 178.8167 131 G 3.5355 8.3415 105.9826 47.8693 0.0000 175.5902 132 I 3.6504 7.5690 121.3414 63.7827 37.1565 179.2904 133 E 4.0123 7.8054 116.8524 56.4554 29.5960 176.9541 *135 S 4.1279 7.9823 110.7709 57.6390 64.3495 173.8440 136 V 3.8798 7.6450 121.0653 60.8541 32.0870 173.9991 137 P 4.1142 0.0000 0.0000 64.8339 32.5805 175.9721 138 F 5.4695 7.4128 115.4660 55.7391 43.7239 173.5954 139 I 4.9407 8.4910 122.8036 59.8334 39.3728 175.0602 140 R 5.3691 8.6517 125.2843 54.6766 34.2165 174.2108 141 L 4.9814 8.9317 120.1588 55.3427 44.1157 173.0905 142 D 5.7245 8.7857 118.6346 52.0257 42.5638 174.8994 143 C 4.9781 9.2610 119.5674 57.6181 35.2467 172.9617 144 I 3.5285 8.6237 126.1357 61.2308 37.8727 176.5306 145 E 2.8796 8.5953 127.4126 58.3625 29.3948 177.8367 146 S 4.3373 7.6785 111.5511 58.2532 63.9888 174.2496 147 N 4.5949 7.6021 120.6859 52.4470 38.4713 174.8056 148 E 4.0231 8.4613 128.4025 59.5209 29.5983 179.2057 149 T 3.8920 7.8034 108.2319 64.5331 69.0489 176.0523 150 L 3.8105 7.7704 121.9948 57.8024 42.4455 178.2684 151 N 4.6883 8.2116 116.4186 56.4052 38.4794 178.7225 152 Q 4.1241 8.0437 118.0453 56.3956 28.7734 178.1536 *154 Y 4.7670 7.9033 119.7550 58.2210 40.1874 177.9279 155 V 4.0375 7.9445 118.7443 65.4608 31.8613 178.0367 156 R 3.9805 8.2123 119.1275 59.4372 29.6942 177.0246 157 Y 3.9500 8.1559 118.3646 58.9148 39.0611 176.5561 158 G 4.2372 8.1164 106.5635 44.9652 0.0000 173.7785 159 F 4.5673 8.8431 119.6527 57.5570 40.4137 174.2310 160 Q 4.9737 9.4032 122.2245 53.7983 31.1797 174.9580 161 F 4.1950 9.2973 126.3125 58.8619 39.7227 174.6028 162 S 4.3178 8.6426 120.3663 57.1737 64.9192 173.3710 163 G 3.8290 5.3800 106.4965 42.5954 0.0000 172.7645 164 K 5.1276 7.5259 118.3319 55.0560 35.7470 175.7572 165 K 4.3036 9.4251 119.8228 57.0086 35.4594 174.8785 166 N 4.4060 10.1235 121.8277 54.4699 36.2817 175.3303 167 G 4.1265 8.7150 104.8271 45.2849 0.0000 173.3820 168 F 5.2289 8.3446 118.1256 55.8040 42.5937 173.9619 169 Y 5.3522 9.2259 119.3382 56.7811 40.2399 174.6700 170 L 4.7094 8.2635 123.9525 53.5275 43.7802 175.2488 171 Y 5.5879 9.3159 120.8981 56.3210 42.1059 174.5259 172 Q 5.3488 9.5510 120.7033 54.5099 32.7704 173.5248 173 K 4.7317 9.1629 123.5886 54.6058 34.5087 174.6820 174 E 4.7969 8.8891 127.4246 56.1738 30.0813 176.0845 175 L 4.5591 8.5843 127.9124 53.4622 43.6693 177.8354 176 S 4.2414 8.4745 117.1313 58.5370 62.2080 174.1244 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 3 Q 8.33 4.39 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.39 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 N 8.17 4.86 0.00 2.96 3.07 0.00 0.00 6.00 6.32 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 5 K 8.86 5.17 0.00 1.95 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.01 7.81 6 I 9.02 4.90 2.09 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 1.12 0.00 0.00 7 T 8.74 5.33 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 1.34 0.00 0.00 8 A 9.31 4.63 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 9 G 9.84 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 10 G 8.57 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 11 L 8.22 4.65 0.00 1.89 1.15 1.25 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.08 4.97 0.00 1.65 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 2.26 1.90 0.00 13 F 9.60 5.17 0.00 2.99 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 14 L 9.21 5.35 0.00 1.45 1.46 0.87 0.84 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 15 V 8.18 4.34 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 0.52 0.00 0.00 -1.13 0.00 0.00 16 R 7.55 4.37 0.00 1.80 1.88 0.00 2.72 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 17 F 8.64 4.50 0.00 3.04 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 18 A 8.88 4.36 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 19 A 9.29 4.77 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.27 0.00 2.17 2.15 0.00 3.61 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 2.13 2.18 0.00 21 T 7.83 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 1.21 0.00 0.00 22 D 8.27 4.64 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 23 R 7.79 3.90 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 24 L 7.87 3.99 0.00 1.73 1.70 0.92 0.87 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 25 K 8.01 4.04 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 26 I 7.59 3.69 2.03 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 0.59 0.96 0.00 0.00 27 N 8.14 4.45 0.00 2.87 2.90 0.00 0.00 7.14 8.26 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 28 D 8.13 4.55 0.00 2.87 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 29 L 7.72 4.28 0.00 1.81 1.78 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *31 I 7.69 3.96 1.97 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 1.26 0.60 0.88 0.00 0.00 32 D 8.11 4.32 0.00 2.83 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 33 T 7.89 4.02 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 1.37 0.00 0.00 34 A 7.37 3.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.08 3.89 0.00 2.04 2.20 0.00 3.11 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 1.65 1.76 0.00 36 W 8.29 4.38 0.00 3.48 3.31 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 37 L 8.02 3.85 0.00 1.88 1.76 1.13 0.99 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 38 K 8.05 4.12 0.00 1.94 2.00 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 39 E 8.56 4.05 0.00 2.27 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 0.00 2.40 2.52 0.00 40 S 8.37 4.44 0.00 3.95 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 41 G 7.66 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 42 S 7.59 4.55 0.00 3.82 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 43 T 7.76 4.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 Q 8.51 4.80 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 45 W 8.68 4.33 0.00 3.55 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 46 S 7.05 3.35 0.00 3.89 3.22 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 47 D 7.89 4.21 0.00 2.89 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 48 I 7.61 3.74 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.51 0.97 0.00 0.00 49 L 7.70 4.03 0.00 1.62 1.46 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.00 4.16 0.00 3.01 3.03 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.15 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 52 F 8.56 4.62 0.00 2.98 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 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0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.90 0.00 0.00 62 E 8.12 3.94 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 63 L 7.92 4.32 0.00 1.69 1.64 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.83 3.67 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 65 E 8.41 4.86 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 2.29 2.16 0.00 66 V 7.90 4.68 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 1.14 0.00 0.00 0.99 0.00 0.00 67 A 8.71 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.39 5.01 0.00 1.40 1.45 0.88 0.88 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 69 F 9.11 4.84 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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7.77 3.67 0.71 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 0.00 114 F 7.67 4.84 0.00 3.16 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 0.00 115 S 7.67 4.49 0.00 4.21 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 0.00 116 G 9.01 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 0.00 0.00 0.00 117 I 7.19 4.58 2.05 0.00 0.00 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 1.62 0.98 1.00 0.00 0.00 118 S 8.27 3.73 0.00 4.05 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 0.00 119 L 7.29 3.90 0.00 1.56 1.49 0.18 0.42 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 0.00 120 S 7.96 3.99 0.00 3.93 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 0.00 121 K 7.81 4.13 0.00 2.18 2.09 0.00 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0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.34 3.54 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 0.00 0.00 0.00 132 I 7.57 3.65 1.90 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 1.32 0.59 0.84 0.00 0.00 133 E 7.81 4.01 0.00 2.26 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 2.32 2.23 0.00 *135 S 7.98 4.13 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 0.00 136 V 7.65 3.88 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 0.31 0.00 0.00 0.39 0.00 0.00 137 P 0.00 4.11 0.00 0.82 1.80 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 138 F 7.41 5.47 0.00 2.79 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 0.00 139 I 8.49 4.94 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 1.13 0.00 0.00 140 R 8.65 5.37 0.00 0.67 1.09 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.94 0.00 141 L 8.93 4.98 0.00 1.61 1.63 -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.79 5.72 0.00 2.83 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 0.00 143 C 9.26 4.98 0.00 3.30 3.24 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 0.00 144 I 8.62 3.53 1.43 0.00 0.00 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 1.19 0.64 0.86 0.00 0.00 145 E 8.60 2.88 0.00 1.16 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 2.26 2.08 0.00 146 S 7.68 4.34 0.00 3.97 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 0.00 147 N 7.60 4.59 0.00 2.92 2.74 0.00 0.00 7.13 7.31 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 0.00 148 E 8.46 4.02 0.00 2.14 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 2.40 1.94 0.00 149 T 7.80 3.89 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 1.18 0.00 0.00 150 L 7.77 3.81 0.00 1.56 1.68 0.52 0.85 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 0.00 151 N 8.21 4.69 0.00 3.14 3.13 0.00 0.00 7.07 6.90 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 0.00 152 Q 8.04 4.12 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 *154 Y 7.90 4.77 0.00 2.54 2.38 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 0.00 155 V 7.94 4.04 2.31 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 1.17 0.00 0.00 1.19 0.00 0.00 156 R 8.21 3.98 0.00 2.00 2.02 0.00 3.38 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 157 Y 8.16 3.95 0.00 3.23 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 0.00 158 G 8.12 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 0.00 159 F 8.84 4.57 0.00 3.26 3.22 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 0.00 160 Q 9.40 4.97 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 161 F 9.30 4.19 0.00 2.95 2.95 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 0.00 162 S 8.64 4.32 0.00 3.46 3.66 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 0.00 0.00 0.00 0.00 163 G 5.38 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 7.53 5.13 0.00 2.21 2.06 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.50 7.81 165 K 9.43 4.30 0.00 1.63 1.47 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.31 7.81 166 N 10.12 4.41 0.00 3.12 3.33 0.00 0.00 7.17 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 0.00 167 G 8.71 4.13 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 0.00 168 F 8.34 5.23 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.23 5.35 0.00 2.92 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 0.00 170 L 8.26 4.71 0.00 0.87 0.18 0.61 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 9.32 5.59 0.00 2.89 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 0.00 172 Q 9.55 5.35 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 173 K 9.16 4.73 0.00 0.79 1.22 0.00 1.14 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.32 7.81 174 E 8.89 4.80 0.00 2.19 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 2.31 1.91 0.00 175 L 8.58 4.56 0.00 1.44 1.46 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.47 4.24 0.00 3.63 3.64 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.