NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7868 8.2127 109.7367 45.4817 0.0000 173.9009 *2 L 4.1496 8.3075 128.1149 54.4421 43.9569 178.8651 3 K 3.9525 7.9618 118.5378 59.4645 31.9832 178.6563 4 I 3.6973 7.8211 120.1412 64.3229 36.9897 178.1503 5 L 3.9643 7.9390 120.4672 57.9817 41.8735 178.5935 6 A 4.0638 8.2586 121.1269 55.5437 18.3734 179.7964 7 T 3.8939 8.2174 108.4217 64.8548 68.4627 176.9327 8 Q 4.0183 8.4883 121.2724 58.7683 28.8079 178.5440 9 F 4.3062 8.6599 121.9835 61.4373 39.3794 176.6706 10 N 4.2521 8.6927 117.0464 56.4147 38.7904 176.8679 11 G 3.6516 8.0102 107.3742 47.6948 0.0000 175.5873 12 K 3.8195 7.6177 121.2596 59.0870 32.0759 178.6821 13 L 3.5449 7.2889 119.2165 58.0141 41.2526 179.6939 14 Q 3.9393 7.9891 117.1133 59.1465 28.5380 178.7012 15 T 3.9985 7.7562 110.4180 64.6145 68.7298 176.6972 16 L 4.0111 8.0270 122.3108 57.7540 41.3730 179.4403 17 T 3.7714 7.4297 108.8584 64.1224 68.8671 176.1141 18 K 4.2774 7.5304 118.1647 57.3014 32.5601 177.6677 19 Q 4.6639 8.4266 119.8016 55.4151 30.0774 177.1668 20 E 3.8472 8.2818 123.1019 59.6164 29.6047 177.7312 21 D 4.5646 8.1032 118.2395 57.6271 41.0872 178.4750 22 E 4.0445 8.1742 118.5100 59.3773 29.5057 179.3171 23 L 4.0090 7.9189 118.9203 57.7133 41.6035 179.3581 24 F 4.3444 8.5485 118.2286 60.8178 38.8956 177.3579 25 D 4.4426 8.3423 118.4675 57.2712 40.5830 178.9623 26 V 3.5353 7.6814 118.1707 66.1181 31.5105 178.2494 27 V 3.6186 7.8998 117.7964 66.1491 31.2629 178.1978 28 R 4.0089 8.5531 118.2524 59.0761 29.6582 178.7516 29 L 4.1337 7.6910 119.1145 58.2677 42.4928 178.8024 30 L 4.1522 8.0662 118.7003 57.7697 41.6922 179.3560 31 A 4.2053 8.5108 120.9541 55.1002 17.8774 179.5534 32 Q 3.9871 8.0235 116.9150 59.1517 28.5707 178.7729 33 A 4.3625 7.9272 122.8437 54.7134 18.2183 179.5505 34 L 4.1785 7.7489 115.3496 57.2419 41.8064 179.6561 35 V 3.6530 7.6133 112.2145 64.5676 31.9338 176.7740 36 G 4.1398 7.9548 109.5134 45.8459 0.0000 174.2874 37 Q 4.3783 8.6638 123.3838 55.6751 29.2835 175.5673 38 G 4.0687 7.7244 106.0344 45.8240 0.0000 172.7397 39 K 4.7583 9.4405 118.5320 54.3371 36.7242 175.6676 40 V 4.6574 8.1310 121.6706 61.8244 33.3487 174.0920 41 Y 5.2041 8.9271 125.7493 56.0910 40.9666 174.4485 42 L 4.9411 9.2388 127.1442 54.4623 43.8504 174.7435 43 D 5.3336 9.7579 126.9818 52.7303 43.1988 174.0558 44 A 5.4868 9.0632 127.9892 50.2735 21.5777 174.8648 45 Y 4.5992 9.0892 118.3649 56.1075 41.6135 176.6392 46 G 3.8376 9.0709 110.4734 46.4909 0.0000 176.4411 47 E 3.8131 8.7395 122.4660 59.1420 29.1241 178.0160 48 F 4.4407 7.8964 116.5337 59.0281 38.9935 176.8595 49 E 3.5332 8.4285 119.2799 58.8445 29.0127 178.9715 50 G 3.7492 7.8338 104.7010 46.8248 0.0000 175.1368 51 L 4.1056 7.7086 120.8524 57.2385 41.8557 178.2497 52 Y 4.6122 7.5033 117.2137 60.3889 38.5448 177.2818 53 P 5.1177 0.0000 0.0000 61.5746 30.1939 177.7314 *55 L 4.3210 7.7372 118.4068 54.3038 43.9284 178.7179 56 S 4.5484 7.7197 111.9488 59.2300 63.9562 175.0533 57 D 4.8345 8.4811 117.2126 53.2878 42.0732 175.9788 58 G 3.9776 7.7477 109.2122 43.7378 0.0000 173.0770 59 P 4.3691 0.0000 0.0000 64.7296 31.5334 176.9744 60 D 4.8548 7.7882 117.8062 53.7010 41.2747 176.1037 61 Q 4.0699 7.2610 117.6923 56.2860 28.7516 175.9891 *63 K 4.2769 8.1847 115.6398 56.3825 34.0176 177.2132 64 R 4.4655 7.6080 114.6966 55.9035 31.5900 175.0294 65 V 4.7216 7.6821 119.5416 61.5250 33.2281 174.4405 66 T 4.7729 8.6687 121.9629 59.8743 71.6587 172.5496 67 K 4.6249 8.6099 126.1528 56.0151 32.7930 176.2677 68 I 3.8824 8.8052 130.4562 62.3125 38.6928 175.5947 69 K 4.5674 8.3121 129.2725 52.3017 33.8093 174.1729 70 D 4.3659 8.4089 124.0013 55.2363 41.1225 176.8938 71 H 4.3981 8.9462 119.1184 55.8129 27.1372 174.8318 72 K 4.0717 7.4913 121.5572 55.7005 32.4220 176.2066 73 T 2.4834 8.0565 123.5643 62.6068 68.9006 174.4252 74 L 4.1819 5.6200 125.8307 53.4192 44.0302 174.4618 75 H 4.9963 8.9231 116.3778 53.6243 32.1123 174.9454 76 A 4.7459 8.5120 121.5493 54.6317 18.2906 179.0331 77 V 3.9427 7.7703 108.0315 62.7574 32.2148 175.8114 78 D 4.9657 7.6376 119.4637 53.9321 42.0991 176.0256 79 R 4.9151 8.9593 118.2552 54.5832 34.5428 174.5171 80 V 4.8081 8.6865 122.9115 61.0856 34.1859 173.8551 81 L 5.0104 9.1800 130.6201 53.6932 43.9107 174.7669 82 I 5.8219 8.7616 127.6817 58.9628 40.0271 174.5816 83 F 5.1159 8.9871 124.7135 55.9067 41.9705 174.2056 84 T 5.3413 8.8523 117.6240 59.8121 70.5322 172.7935 85 P 4.8222 0.0000 0.0000 65.9052 31.9866 175.5338 86 D 4.6710 7.9460 117.0253 52.8667 41.8549 174.4891 87 T 4.4045 8.3483 107.3188 61.6470 68.8244 175.1759 88 E 4.3614 8.3551 121.8899 57.4170 30.6559 177.5354 89 R 4.0062 7.8719 119.4076 56.2204 31.5271 177.6231 90 S 4.1611 8.7104 118.8122 61.3670 63.0741 176.4589 91 D 4.3611 8.0531 122.5227 56.0750 39.1827 178.0128 92 L 3.6207 7.6250 122.5868 57.2052 42.0680 178.7211 93 L 3.8080 7.6807 118.4136 57.7985 41.4218 179.4436 94 A 3.8740 8.0345 120.5633 55.2009 18.1780 179.9373 95 S 3.5384 8.0146 113.6804 61.5182 62.8170 176.8775 96 L 3.5053 7.7864 121.6214 57.4832 41.2232 179.3559 97 A 3.8622 7.8297 120.7289 55.0725 18.1580 180.0124 98 R 3.0557 6.9804 116.3457 59.3162 30.0124 178.8471 99 Y 4.5218 7.1165 116.6243 61.2455 37.9127 178.4911 100 D 4.4630 8.5694 119.9624 57.3979 40.7488 178.6329 101 A 3.9216 7.6537 119.9296 54.9395 18.4861 179.1790 102 W 4.5835 8.2274 114.9680 57.1429 29.7180 176.3216 103 H 4.1879 7.9501 115.2400 57.1038 26.1829 173.9756 104 T 4.7849 8.2258 116.7880 61.9338 69.0806 173.6546 105 P 4.4370 0.0000 0.0000 62.6697 31.4981 175.0355 106 Y 5.3338 7.5615 119.2600 55.4296 41.9392 173.6154 107 S 5.0512 9.1053 117.0968 56.2684 64.5579 172.5311 108 I 4.7545 8.4063 127.8490 59.8273 39.3767 174.3888 109 I 4.5897 8.6927 129.0732 59.9044 38.9135 174.6005 110 T 5.0578 8.4447 122.3429 60.0710 69.5204 175.1702 111 L 4.4391 9.1319 127.9559 57.4086 42.8859 177.1240 112 G 4.1161 7.9958 108.7050 45.8650 0.0000 172.3911 113 D 5.0486 8.5124 121.9457 52.2805 43.6047 177.6575 114 V 3.6737 8.3067 120.7169 63.3235 31.9566 175.4124 115 T 4.7819 8.1098 116.0148 58.9202 73.1377 174.5965 116 E 3.9373 8.7585 120.6257 60.0936 29.7382 179.4362 117 T 4.0116 7.9024 114.9884 66.6199 68.5078 176.1041 118 L 4.0027 7.7983 121.6300 58.2298 41.9359 178.4304 119 E 4.2247 7.9913 115.8662 57.9331 29.4592 178.8129 120 R 4.1012 7.8017 118.4083 57.6770 30.4930 176.8497 121 S 4.2294 7.6685 113.9415 57.4421 62.9838 174.1013 122 I 3.7604 7.4477 127.0755 63.4718 38.2361 175.9193 123 A 4.7836 7.8850 122.0669 49.6078 19.0406 173.4722 124 P 4.9551 0.0000 0.0000 61.6323 33.9894 176.1629 125 L 4.5954 8.7295 122.2954 53.7043 45.4980 174.4400 126 A 4.9633 8.6274 128.5867 50.7626 19.4670 176.6045 127 L 4.0292 9.3061 123.7848 54.6360 42.4924 177.5944 128 K 3.8623 7.8157 117.8576 57.1443 30.3476 175.2849 129 F 5.0387 9.0682 117.9632 57.8815 39.8986 173.7600 130 D 5.0036 8.0871 115.5444 52.7800 40.2559 175.9650 131 K 4.5874 7.5868 117.3886 54.3369 35.7300 176.3316 132 G 3.7530 8.4474 110.2784 46.0737 0.0000 173.5356 133 L 4.2467 8.2872 119.2761 54.8336 42.4197 176.9972 134 L 4.6565 7.9019 119.5559 51.9562 43.4986 174.2031 135 P 4.7911 0.0000 0.0000 62.4783 32.2513 175.9034 136 A 4.7101 8.9266 124.7021 49.8691 21.8520 177.4194 137 E 3.8834 8.9621 118.4950 59.7798 29.6206 178.8244 138 D 4.3451 8.1160 117.2932 55.9472 40.8501 177.9923 139 G 3.9112 8.3026 106.1692 44.9179 0.0000 173.3999 140 S 4.6283 7.4886 114.4157 57.5794 65.4050 173.1451 141 R 4.9886 8.1896 118.1702 54.8399 33.5563 174.3587 142 H 4.8103 8.8175 118.9719 54.6129 33.6258 171.4640 143 G 3.6883 8.6599 107.2117 45.7192 0.0000 171.5607 144 L 4.5620 7.5128 120.4388 52.8374 43.7183 175.6613 145 P 4.6811 0.0000 0.0000 62.0035 28.6868 177.0252 146 S 4.4925 7.7641 117.4413 62.4423 63.7432 175.9728 147 L 4.0066 7.9207 123.8624 57.4742 41.7978 178.2612 148 A 4.0578 8.1721 120.3067 55.3304 18.1111 179.2479 149 L 4.2605 8.4953 118.7310 58.3406 42.1530 179.2358 150 G 3.8004 8.6334 105.5295 48.0067 0.0000 175.4787 151 A 3.9250 8.6546 123.7911 54.5944 18.4159 179.3964 152 F 4.0585 8.6682 119.4972 61.6203 39.4426 177.4096 153 L 4.0010 8.4564 118.7464 57.6985 41.4023 179.3204 154 L 4.0395 8.3264 120.6776 58.2038 41.8980 178.9874 155 T 3.7414 8.0009 116.0144 66.8454 68.3605 175.7684 156 H 3.8532 7.7869 119.7658 59.2790 29.7520 177.2462 157 I 3.5448 7.7885 121.4443 64.3356 36.9870 178.2815 158 L 3.9166 8.2000 120.1017 58.2944 41.4019 179.9273 159 T 3.8051 8.0274 115.7224 66.5632 68.1435 176.7012 160 Q 3.8405 8.0108 120.8654 59.0987 29.1231 177.8981 161 L 4.0038 7.8449 119.3722 57.6784 41.8622 179.0285 162 Q 3.9809 8.0812 119.5518 58.8818 28.9710 178.2796 163 E 3.9923 7.9836 116.9309 57.5782 29.6566 178.2645 *165 T 3.0585 7.8629 115.9008 62.8050 70.5440 176.2516 166 E 3.9513 8.0281 119.9335 59.3580 29.6455 177.9209 167 E 4.0566 7.7813 117.2593 59.2667 29.7957 177.3302 168 W 4.5722 7.2766 121.0775 57.0072 29.1041 175.9343 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.21 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 *2 L 8.31 4.15 0.00 1.75 1.71 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.96 3.95 0.00 1.96 1.93 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.10 7.81 4 I 7.82 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.83 0.93 0.00 0.00 5 L 7.94 3.96 0.00 1.76 1.80 0.94 1.15 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 6 A 8.26 4.06 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 7 T 8.22 3.89 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 1.29 0.00 0.00 8 Q 8.49 4.02 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 9 F 8.66 4.31 0.00 3.22 3.23 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 0.00 10 N 8.69 4.25 0.00 2.96 2.92 0.00 0.00 7.12 8.69 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 11 G 8.01 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.62 3.82 0.00 1.84 1.51 0.00 1.41 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.92 7.81 13 L 7.29 3.54 0.00 1.58 1.33 0.54 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.99 3.94 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 15 T 7.76 4.00 4.20 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 1.22 0.00 0.00 16 L 8.03 4.01 0.00 1.79 1.70 0.79 0.44 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 17 T 7.43 3.77 4.21 0.00 0.00 0.00 0.00 0.00 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 18 K 7.53 4.28 0.00 1.93 1.89 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 19 Q 8.43 4.66 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 20 E 8.28 3.85 0.00 2.21 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 2.14 2.25 0.00 21 D 8.10 4.56 0.00 2.78 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 22 E 8.17 4.04 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 23 L 7.92 4.01 0.00 1.74 1.59 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.55 4.34 0.00 3.34 3.01 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 25 D 8.34 4.44 0.00 2.95 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 26 V 7.68 3.54 2.26 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 0.95 0.00 0.00 0.91 0.00 0.00 27 V 7.90 3.62 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 1.11 0.00 0.00 0.97 0.00 0.00 28 R 8.55 4.01 0.00 2.02 2.01 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 29 L 7.69 4.13 0.00 1.77 1.91 0.94 1.02 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 30 L 8.07 4.15 0.00 1.90 1.72 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.51 4.21 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.02 3.99 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 33 A 7.93 4.36 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 34 L 7.75 4.18 0.00 2.13 1.97 0.89 0.85 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 35 V 7.61 3.65 1.80 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 0.33 0.00 0.00 0.94 0.00 0.00 36 G 7.95 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 37 Q 8.66 4.38 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 38 G 7.72 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 39 K 9.44 4.76 0.00 1.23 1.21 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.31 7.81 40 V 8.13 4.66 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 1.04 0.00 0.00 0.95 0.00 0.00 41 Y 8.93 5.20 0.00 2.93 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 42 L 9.24 4.94 0.00 1.90 1.82 1.22 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 D 9.76 5.33 0.00 2.98 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 44 A 9.06 5.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.09 4.60 0.00 3.11 2.97 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 46 G 9.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.74 3.81 0.00 1.85 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 2.14 2.27 0.00 48 F 7.90 4.44 0.00 3.42 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 49 E 8.43 3.53 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 50 G 7.83 3.75 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 0.00 0.00 0.00 51 L 7.71 4.11 0.00 1.36 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0.00 1.35 0.99 7.81 70 D 8.41 4.37 0.00 2.44 2.27 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 71 H 8.95 4.40 0.00 3.35 3.50 0.00 5.69 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 72 K 7.49 4.07 0.00 1.58 1.53 0.00 1.74 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.30 7.81 73 T 8.06 2.48 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 0.48 0.00 0.00 74 L 5.62 4.18 0.00 1.63 1.65 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.92 5.00 0.00 3.13 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.51 4.75 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 77 V 7.77 3.94 2.11 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 0.78 0.00 0.00 0.97 0.00 0.00 78 D 7.64 4.97 0.00 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0.00 3.49 3.44 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.23 4.78 4.55 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 1.31 0.00 0.00 105 P 0.00 4.44 0.00 2.05 1.87 0.00 3.78 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 106 Y 7.56 5.33 0.00 3.04 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 0.00 107 S 9.11 5.05 0.00 3.90 3.76 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 0.00 108 I 8.41 4.75 1.91 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 1.37 0.70 0.88 0.00 0.00 109 I 8.69 4.59 0.96 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.25 0.68 0.00 0.00 110 T 8.44 5.06 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 1.32 0.00 0.00 111 L 9.13 4.44 0.00 2.09 1.89 1.11 1.16 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 120 R 7.80 4.10 0.00 2.15 2.22 0.00 3.18 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 121 S 7.67 4.23 0.00 4.08 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 0.00 122 I 7.45 3.76 1.76 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 1.19 0.77 0.81 0.00 0.00 123 A 7.88 4.78 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.96 0.00 2.08 2.24 0.00 3.73 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 1.95 1.96 0.00 125 L 8.73 4.60 0.00 1.67 1.39 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.63 4.96 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 0.00 127 L 9.31 4.03 0.00 1.70 1.81 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.82 3.86 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 129 F 9.07 5.04 0.00 2.99 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 0.00 130 D 8.09 5.00 0.00 2.79 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 0.00 131 K 7.59 4.59 0.00 1.64 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.32 7.81 132 G 8.45 3.75 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 0.00 0.00 0.00 133 L 8.29 4.25 0.00 1.73 1.75 1.18 1.22 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 0.00 134 L 7.90 4.66 0.00 1.65 1.59 0.93 1.00 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 0.00 135 P 0.00 4.79 0.00 1.92 1.96 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 136 A 8.93 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.96 3.88 0.00 1.96 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 2.32 2.35 0.00 138 D 8.12 4.35 0.00 2.68 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 0.00 139 G 8.30 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.49 4.63 0.00 3.85 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 0.00 141 R 8.19 4.99 0.00 1.59 1.79 0.00 3.43 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 142 H 8.82 4.81 0.00 3.02 3.11 0.00 5.68 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 0.00 143 G 8.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.51 4.56 0.00 1.44 1.51 0.46 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.68 0.00 2.31 2.03 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 146 S 7.76 4.49 0.00 4.18 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 0.00 147 L 7.92 4.01 0.00 1.81 1.68 0.93 1.03 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 0.00 148 A 8.17 4.06 1.23 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 0.00 0.00 0.00 149 L 8.50 4.26 0.00 1.98 2.07 0.59 0.56 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 0.00 150 G 8.63 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 0.00 151 A 8.65 3.93 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 0.00 152 F 8.67 4.06 0.00 3.35 3.37 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 0.00 153 L 8.46 4.00 0.00 2.15 1.89 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.33 4.04 0.00 1.66 1.68 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.00 3.74 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 1.16 0.00 0.00 156 H 7.79 3.85 0.00 2.80 3.25 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 0.00 157 I 7.79 3.54 1.89 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 1.51 0.61 0.91 0.00 0.00 158 L 8.20 3.92 0.00 1.63 1.82 0.90 0.69 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 0.00 159 T 8.03 3.81 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 1.14 0.00 0.00 160 Q 8.01 3.84 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 161 L 7.84 4.00 0.00 1.70 1.61 0.90 1.27 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 0.00 162 Q 8.08 3.98 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 163 E 7.98 3.99 0.00 2.16 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 2.27 2.31 0.00 *165 T 7.86 3.06 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 1.07 0.00 0.00 166 E 8.03 3.95 0.00 1.99 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 2.28 2.25 0.00 167 E 7.78 4.06 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 168 W 7.28 4.57 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.