NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7314 8.3393 109.7356 45.3980 0.0000 174.0097 *2 S 4.3978 7.7663 114.1882 57.7669 65.3815 173.2606 3 D 4.4587 8.5403 121.4859 57.8032 40.4252 179.2529 4 T 3.9348 7.9419 115.9921 66.4606 68.4375 176.6837 5 V 3.7129 7.8808 119.8516 66.0594 31.6528 177.9028 6 L 3.8519 8.0331 118.6472 58.2382 41.3832 179.7692 7 T 4.0650 8.4502 115.9643 66.6234 68.3973 176.8611 8 G 3.6957 8.5135 108.0490 47.7945 0.0000 175.4082 9 L 3.9804 8.3750 123.0314 57.7614 42.1661 178.8332 10 L 3.5198 7.9063 120.2358 58.1413 41.9344 178.5195 11 D 4.4560 8.2761 118.9636 57.8209 40.6709 179.0669 12 T 4.0832 7.9818 117.4448 65.9966 68.4303 176.7630 13 V 3.1356 7.6310 120.0764 65.8107 31.3743 178.2133 14 W 4.0357 7.8920 118.4509 59.5840 28.4655 178.5188 15 Q 4.0169 8.2866 118.2946 59.1557 28.1356 179.0177 16 Q 3.8895 8.1202 119.1097 58.7931 28.4858 178.5365 17 F 4.4950 7.6187 118.0301 60.6313 39.2074 177.4989 18 G 3.9096 8.4775 105.4044 48.1606 0.0000 175.7597 19 R 4.0070 8.1404 120.8735 58.8973 29.5184 179.3335 20 G 3.8025 8.2020 106.5624 47.1093 0.0000 175.2714 21 T 4.1717 7.7184 109.4094 62.7689 69.3076 175.2943 22 K 4.3737 7.7554 119.9733 56.2739 34.3777 175.5243 23 D 4.5713 7.7066 117.1345 52.1673 42.4564 175.5635 24 R 3.9968 8.7609 126.7339 58.8462 30.2023 177.2885 25 H 4.6204 8.5155 115.7395 56.3840 30.8417 174.4857 26 H 4.3933 8.1093 119.8996 55.4368 30.5626 174.2618 27 P 4.2196 0.0000 0.0000 65.4970 31.3996 178.0689 28 A 4.3286 8.2903 119.6941 53.5941 18.8218 179.0278 29 R 4.2018 8.1307 116.3761 58.4330 30.7211 175.6034 30 H 5.6840 7.6882 112.5097 52.6854 27.9065 171.8228 31 P 4.7380 0.0000 0.0000 62.9117 33.7666 176.5551 32 T 4.9321 8.7794 118.3925 62.0120 70.8828 173.4420 33 L 5.1019 8.6955 128.6324 53.2414 44.3959 174.7109 34 A 5.3297 8.9821 128.5138 50.4997 21.8472 175.4499 35 T 4.8872 8.6098 110.4018 59.7537 73.1306 172.8179 36 I 4.2722 8.3513 122.8594 60.6348 37.6791 176.0244 37 G 3.7458 8.1680 120.2752 44.5774 0.0000 172.9197 38 T 4.0761 8.3063 108.6418 64.0270 69.8289 174.8335 39 D 4.5376 7.8301 120.2813 51.2370 41.6353 172.3880 40 G 3.7634 7.9882 108.5006 43.0789 0.0000 168.9754 41 P 4.9451 0.0000 0.0000 62.8145 32.4388 175.1991 42 D 5.0450 8.8392 119.4259 52.9235 45.1043 173.8383 43 L 5.4997 8.4059 121.4701 55.3601 43.4776 174.4583 44 R 4.5614 8.0212 113.9776 55.5868 32.3263 173.9309 45 T 4.5738 8.5011 117.5040 63.8084 69.4974 173.8056 46 L 4.9258 8.5460 124.0760 52.7765 46.6825 175.5350 47 V 4.5163 8.4103 120.6682 62.1550 32.3418 175.2311 48 L 3.9094 8.9310 131.5577 55.5252 41.6843 176.4439 49 R 4.4385 8.6918 125.9333 57.7471 31.5837 176.5889 50 A 4.6974 7.3857 117.5388 50.9238 22.6684 175.1529 51 A 5.0659 8.2894 120.2357 50.5959 22.8497 176.1335 52 S 4.1876 9.2649 115.8718 56.8050 65.1259 174.0346 53 H 2.0000 8.6089 127.7960 58.3354 29.7944 177.0865 54 A 3.6895 7.6082 120.3704 54.8886 18.1510 177.9321 55 E 4.1086 7.8934 112.1922 55.7638 30.5458 175.8520 56 A 3.5711 7.1081 121.7694 53.6536 16.8434 176.3745 57 T 5.3188 7.8106 109.6889 60.5990 72.6610 173.7706 58 L 4.9403 8.6105 122.6115 52.8562 45.3394 174.9175 59 E 4.9613 8.7164 124.1312 54.3700 32.3565 174.6604 60 F 5.2492 9.0962 124.2446 56.0506 43.4745 173.3861 61 H 5.5435 8.8352 117.2954 54.8592 31.3687 173.5323 62 T 4.7468 8.9550 115.9507 61.2469 71.9563 171.2869 63 D 5.4066 8.7206 122.8374 52.9462 41.7130 176.6626 64 A 3.9022 9.1460 130.4238 55.4326 18.4350 177.9239 65 A 4.3100 8.4870 116.3155 52.8051 18.9634 177.7257 66 S 4.5235 8.0519 112.0212 56.7082 64.4593 173.5203 67 P 4.1737 0.0000 0.0000 65.8651 30.9832 178.9599 68 K 3.6949 7.9329 116.8994 59.9784 32.2151 179.2440 69 V 3.5699 7.6544 118.9884 65.6160 31.2763 177.8233 70 A 3.9882 7.9273 120.1139 55.4477 18.1662 179.0714 71 H 4.2174 8.4309 114.9095 59.2871 28.6062 178.1767 72 I 4.1479 7.4573 121.4843 63.8965 36.9916 178.1422 73 R 4.0639 8.0231 118.2596 59.4972 29.9634 178.7399 74 R 4.4531 7.6183 116.4120 57.2065 30.5237 176.4130 75 D 4.3852 8.2703 118.9741 53.0153 43.1323 174.8835 76 A 4.4658 8.6114 128.4089 53.0315 19.7461 176.6254 77 R 4.5040 8.1393 116.1307 56.1429 30.6548 176.5907 78 V 4.8520 9.0569 116.6587 59.4594 36.3797 174.3609 79 A 5.3318 8.7425 122.2652 50.4678 22.8610 175.2705 80 I 5.1696 8.8904 120.0610 59.8914 41.6800 174.1637 81 H 5.5242 9.2519 124.5949 54.7188 33.7070 172.0552 82 I 4.9232 8.7512 124.6168 59.3546 41.6394 173.7157 83 W 5.2263 8.9184 135.0000 55.9310 32.3467 176.0098 84 I 4.1272 8.3907 129.2171 58.3661 36.2876 174.4819 85 P 2.9700 0.0000 0.0000 64.6775 31.7521 179.9033 86 K 3.8899 7.6163 116.9904 58.2396 32.0673 177.2022 87 A 4.4158 7.6086 118.9970 51.0145 20.0337 176.2165 88 S 3.9105 7.5807 111.6359 59.7751 61.3047 172.0042 89 L 5.4166 7.8117 118.3419 53.0829 45.4684 176.3151 90 Q 5.2850 9.2072 125.1813 54.5159 31.3960 174.0996 91 V 4.8990 8.9176 126.5758 61.1595 34.3395 174.1670 92 R 5.2026 9.1274 126.6272 54.3892 32.9922 174.6146 93 A 5.3398 9.3926 125.6657 49.9974 22.6630 174.4334 94 K 5.0097 8.8602 121.8614 55.0610 34.7315 175.0190 95 A 5.1700 8.8642 126.5408 51.1481 23.6913 174.7521 96 I 4.7888 8.7016 120.1035 59.8482 39.1412 174.9406 97 A 5.0743 8.8025 129.9450 50.7091 20.0328 176.3306 98 K 4.6445 9.2440 122.7714 54.7008 35.1758 175.3544 99 I 4.8278 8.3219 124.6516 59.8793 38.6759 175.0153 100 L 5.0279 8.7010 126.4528 51.7371 45.9703 174.3367 101 P 4.5437 0.0000 0.0000 62.7601 31.9362 176.4943 102 G 3.3614 8.2227 109.7110 45.7331 0.0000 172.9163 103 D 4.6891 8.4774 120.9202 52.7382 41.3772 175.4583 104 P 4.5222 0.0000 0.0000 65.5737 31.1219 178.1223 105 N 4.4021 8.2094 116.3328 56.1884 38.8329 176.9554 106 L 4.1663 7.9485 119.9866 57.7541 41.8925 178.8377 107 F 3.3789 8.2775 120.3825 61.2995 38.9298 177.1314 108 A 3.9629 7.8940 118.9128 54.8790 18.2372 179.0171 109 Q 4.0632 7.5830 114.4666 56.6682 29.3329 176.7542 110 L 4.0905 6.7098 120.2853 53.4818 42.4068 175.8704 111 P 4.3545 0.0000 0.0000 62.5116 33.0677 177.4087 112 E 3.8534 8.7368 119.8584 59.7850 29.4541 179.4273 113 A 4.1068 7.8727 118.7747 55.0446 18.8969 179.1398 114 A 4.1493 7.8485 118.7019 55.2900 18.3492 180.5949 115 R 3.6635 7.6592 112.7727 57.3327 30.1087 177.5403 *117 N 4.7709 8.1587 118.7762 53.6735 40.4058 175.9698 118 Y 4.3471 7.9721 113.2848 59.8865 38.0082 176.4903 119 Q 4.9654 7.5995 117.3126 54.3257 30.7247 175.5359 120 G 4.2077 7.5874 109.4972 44.0952 0.0000 172.1679 121 P 4.6997 0.0000 0.0000 61.4750 32.2297 176.1819 122 V 3.6715 8.1724 119.7213 62.1688 31.8640 173.6993 123 P 4.3526 0.0000 0.0000 64.5580 31.5142 176.7767 124 G 3.9715 8.8800 110.5618 45.5087 0.0000 173.7260 125 T 4.0219 7.4982 117.2701 62.4524 68.9177 172.7684 126 P 4.3159 0.0000 0.0000 62.7866 31.9492 176.2344 127 L 4.3620 8.2172 122.4531 53.4091 42.6337 175.0443 128 P 4.5351 0.0000 0.0000 62.6874 32.3317 175.3291 129 A 4.6863 7.8905 120.8178 50.7017 22.1790 175.8483 130 E 4.3992 8.5531 119.5411 55.6748 31.0776 175.2209 131 P 4.7043 0.0000 0.0000 61.6653 33.8220 175.4590 132 D 4.4718 8.5713 118.7980 52.7114 42.8484 174.1152 133 A 4.5652 8.3425 130.0771 51.4312 16.5371 176.6253 134 T 4.4679 7.4666 116.4314 59.8790 70.0376 173.0590 135 P 3.7475 0.0000 0.0000 65.2733 31.5298 178.3723 136 N 4.4295 7.9272 113.4741 54.9531 38.6892 176.1463 137 R 3.9964 8.1405 118.2363 58.4394 30.5891 176.0502 138 F 4.5483 7.9627 121.8669 58.5874 40.1002 174.2917 139 T 4.9266 8.3848 121.8491 61.8623 73.1143 173.1179 140 R 4.8583 8.8525 124.2530 54.8696 32.5790 175.4352 141 L 5.0464 9.1760 123.7290 53.3191 44.1551 175.6360 142 I 4.4353 8.7063 126.6620 60.0742 38.9847 175.0125 143 C 5.0405 9.1670 126.8570 58.6159 29.8504 173.2947 144 H 5.0828 9.4044 123.7297 54.5329 29.1121 175.0662 145 L 4.9285 8.8383 125.0852 54.9573 41.7278 177.5563 146 S 4.7623 9.5437 117.4657 58.7219 65.6763 173.3669 147 E 5.1735 8.1410 120.3918 54.9367 33.3173 173.5993 148 I 5.1715 9.5125 126.5139 59.6993 41.0000 173.6771 149 D 5.4644 9.8193 128.2435 52.4754 43.4055 175.0412 150 V 4.9055 9.1409 126.6091 59.8670 34.2369 174.1759 151 L 5.0686 8.8001 127.6677 53.6528 44.3143 174.3898 152 H 5.3309 9.6127 126.4282 54.0210 31.8206 174.1233 153 L 4.3613 8.5735 132.3246 53.9375 39.1744 175.5326 154 T 4.4064 7.1372 113.8396 60.8063 70.1849 172.7539 155 T 4.4406 8.2283 118.6691 61.3441 69.5704 172.4136 156 P 4.6457 0.0000 0.0000 61.4803 32.8529 175.3901 157 H 4.5300 8.6299 115.5781 56.6386 29.2146 175.2166 158 Q 4.8308 9.0881 120.6195 54.1908 32.7183 174.5382 159 R 5.3177 8.7481 121.1454 54.8558 33.9207 173.4373 160 A 5.0928 9.2172 126.8514 50.0452 22.9843 174.7552 161 V 4.8874 8.3089 119.7416 61.2367 34.9640 173.9337 162 Y 5.1111 9.3618 125.0954 56.5765 41.3855 174.7630 163 T 4.6299 8.2417 119.0930 61.0838 72.6476 173.4075 164 A 3.3555 7.2995 128.3192 51.2091 18.6781 175.9581 165 P 4.3834 0.0000 0.0000 63.7133 32.3995 177.2406 166 D 4.3940 7.9473 118.7448 54.9763 39.6708 176.9582 167 W 3.9867 8.2392 116.8951 57.2466 27.3278 175.6043 168 R 4.1052 8.4796 117.7319 57.2679 29.2836 177.9322 169 G 3.3109 8.9874 104.8550 45.1690 0.0000 172.3602 170 I 4.4557 7.7265 115.1345 58.3390 41.2426 174.5385 171 W 4.8546 8.5444 125.1474 57.0307 29.5165 175.7725 172 V 4.6579 8.7321 117.1629 59.0610 35.3115 175.3715 173 S 4.2590 8.5971 116.8179 57.3851 62.8274 172.2084 174 P 4.4795 0.0000 0.0000 63.1096 31.0305 176.0433 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 8.34 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 *2 S 7.77 4.40 0.00 4.17 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 3 D 8.54 4.46 0.00 2.84 2.81 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 0.00 0.00 0.00 4 T 7.94 3.93 4.31 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 1.26 0.00 0.00 5 V 7.88 3.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 1.10 0.00 0.00 6 L 8.03 3.85 0.00 1.91 1.64 0.48 -0.86 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 7 T 8.45 4.07 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 G 8.51 3.70 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 0.00 0.00 0.00 9 L 8.37 3.98 0.00 1.99 1.98 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.91 3.52 0.00 0.90 1.60 0.45 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.28 4.46 0.00 2.92 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 12 T 7.98 4.08 4.34 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 1.14 0.00 0.00 13 V 7.63 3.14 1.77 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 0.02 0.00 0.00 0.74 0.00 0.00 14 W 7.89 4.04 0.00 3.24 3.13 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 15 Q 8.29 4.02 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 16 Q 8.12 3.89 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 17 F 7.62 4.50 0.00 3.12 2.91 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 18 G 8.48 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 19 R 8.14 4.01 0.00 1.69 1.72 0.00 3.26 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 20 G 8.20 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 21 T 7.72 4.17 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 1.24 0.00 0.00 22 K 7.76 4.37 0.00 1.87 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.32 7.81 23 D 7.71 4.57 0.00 2.69 2.65 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 24 R 8.76 4.00 0.00 1.88 2.05 0.00 3.27 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 25 H 8.52 4.62 0.00 3.12 3.39 0.00 5.75 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 26 H 8.11 4.39 0.00 3.41 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 2.10 2.08 0.00 3.07 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 28 A 8.29 4.33 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 29 R 8.13 4.20 0.00 2.04 2.05 0.00 3.06 0.00 0.00 3.37 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.12 0.00 30 H 7.69 5.68 0.00 3.08 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.74 0.00 2.24 2.10 0.00 3.99 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 32 T 8.78 4.93 4.31 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 1.21 0.00 0.00 33 L 8.70 5.10 0.00 1.32 1.27 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.98 5.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.61 4.89 4.30 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 1.23 0.00 0.00 36 I 8.35 4.27 1.86 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 1.26 0.56 0.88 0.00 0.00 37 G 8.17 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 38 T 8.31 4.08 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 1.23 0.00 0.00 39 D 7.83 4.54 0.00 2.57 2.55 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 40 G 7.99 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 0.00 0.00 0.00 41 P 0.00 4.95 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 42 D 8.84 5.04 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 5.50 0.00 1.70 1.56 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.02 4.56 0.00 1.79 1.98 0.00 3.23 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 45 T 8.50 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 L 8.55 4.93 0.00 1.15 1.52 0.66 0.72 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 47 V 8.41 4.52 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 0.78 0.00 0.00 1.04 0.00 0.00 48 L 8.93 3.91 0.00 1.71 1.62 0.50 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.69 4.44 0.00 1.57 1.81 0.00 3.41 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.09 0.00 50 A 7.39 4.70 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.29 5.07 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 52 S 9.26 4.19 0.00 3.76 3.58 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 53 H 8.61 2.00 0.00 2.53 2.75 0.00 5.75 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 54 A 7.61 3.69 1.11 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 55 E 7.89 4.11 0.00 1.87 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 2.24 2.15 0.00 56 A 7.11 3.57 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 57 T 7.81 5.32 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 1.08 0.00 0.00 58 L 8.61 4.94 0.00 1.31 0.98 0.13 -0.20 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 59 E 8.72 4.96 0.00 1.85 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 2.08 2.19 0.00 60 F 9.10 5.25 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.84 5.54 0.00 3.18 3.34 0.00 5.72 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 62 T 8.96 4.75 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 63 D 8.72 5.41 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.15 3.90 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 65 A 8.49 4.31 1.35 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 0.00 0.00 66 S 8.05 4.52 0.00 3.98 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 67 P 0.00 4.17 0.00 2.09 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 68 K 7.93 3.69 0.00 1.92 2.00 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 69 V 7.65 3.57 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 1.12 0.00 0.00 1.02 0.00 0.00 70 A 7.93 3.99 1.39 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 71 H 8.43 4.22 0.00 3.33 3.50 0.00 5.64 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 72 I 7.46 4.15 2.01 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 1.56 1.58 0.94 0.00 0.00 73 R 8.02 4.06 0.00 1.95 2.02 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 74 R 7.62 4.45 0.00 2.15 1.99 0.00 3.27 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 75 D 8.27 4.39 0.00 2.61 2.49 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 76 A 8.61 4.47 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 77 R 8.14 4.50 0.00 1.85 1.92 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 78 V 9.06 4.85 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 0.87 0.00 0.00 1.04 0.00 0.00 79 A 8.74 5.33 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 80 I 8.89 5.17 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.99 0.00 0.00 81 H 9.25 5.52 0.00 3.20 3.11 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.75 4.92 1.93 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 1.23 0.81 1.00 0.00 0.00 83 W 8.92 5.23 0.00 3.28 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 0.00 0.00 0.00 0.00 84 I 8.39 4.13 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.75 0.00 0.00 85 P 0.00 2.97 0.00 1.95 1.89 0.00 3.06 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 86 K 7.62 3.89 0.00 1.62 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.28 7.81 87 A 7.61 4.42 1.16 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 0.00 0.00 88 S 7.58 3.91 0.00 4.17 4.17 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 89 L 7.81 5.42 0.00 1.55 1.53 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 9.21 5.28 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 91 V 8.92 4.90 2.10 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 1.00 0.00 0.00 0.79 0.00 0.00 92 R 9.13 5.20 0.00 1.84 1.86 0.00 3.18 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 93 A 9.39 5.34 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 94 K 8.86 5.01 0.00 1.90 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 95 A 8.86 5.17 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 96 I 8.70 4.79 1.94 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 1.21 0.88 0.95 0.00 0.00 97 A 8.80 5.07 1.27 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 124 G 8.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.50 4.02 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 0.00 126 P 0.00 4.32 0.00 2.04 1.99 0.00 3.67 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 2.03 2.11 0.00 127 L 8.22 4.36 0.00 1.63 1.59 0.92 1.06 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 0.00 128 P 0.00 4.54 0.00 2.18 2.04 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 129 A 7.89 4.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.55 4.40 0.00 1.95 1.88 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 2.40 2.31 0.00 131 P 0.00 4.70 0.00 2.16 2.09 0.00 3.35 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 132 D 8.57 4.47 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.34 4.57 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 0.00 134 T 7.47 4.47 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 1.22 0.00 0.00 135 P 0.00 3.75 0.00 1.96 1.74 0.00 3.56 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 136 N 7.93 4.43 0.00 2.66 2.83 0.00 0.00 6.94 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 8.14 4.00 0.00 2.07 2.33 0.00 3.34 0.00 0.00 3.38 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 138 F 7.96 4.55 0.00 2.23 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.38 4.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 140 R 8.85 4.86 0.00 1.75 1.79 0.00 2.95 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 141 L 9.18 5.05 0.00 1.74 1.72 0.95 0.74 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 0.00 142 I 8.71 4.44 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.79 0.00 0.00 143 C 9.17 5.04 0.00 2.98 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 0.00 144 H 9.40 5.08 0.00 3.20 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.84 4.93 0.00 1.86 2.03 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 146 S 9.54 4.76 0.00 3.80 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 0.00 147 E 8.14 5.17 0.00 2.01 1.82 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 2.37 2.47 0.00 148 I 9.51 5.17 2.16 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.92 0.00 0.00 149 D 9.82 5.46 0.00 2.74 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 0.00 150 V 9.14 4.91 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 0.98 0.00 0.00 1.00 0.00 0.00 151 L 8.80 5.07 0.00 1.87 1.63 1.04 0.47 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 0.00 152 H 9.61 5.33 0.00 3.27 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.57 4.36 0.00 1.63 1.57 1.14 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.14 4.41 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 1.13 0.00 0.00 155 T 8.23 4.44 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 0.00 156 P 0.00 4.65 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 157 H 8.63 4.53 0.00 3.01 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 9.09 4.83 0.00 2.08 2.09 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 2.10 2.30 0.00 159 R 8.75 5.32 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 160 A 9.22 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.31 4.89 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 0.98 0.00 0.00 0.94 0.00 0.00 162 Y 9.36 5.11 0.00 3.33 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 0.00 163 T 8.24 4.63 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 1.08 0.00 0.00 164 A 7.30 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.38 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 166 D 7.95 4.39 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 W 8.24 3.99 0.00 3.45 3.30 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 0.00 168 R 8.48 4.11 0.00 1.98 2.12 0.00 3.04 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 169 G 8.99 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 0.00 0.00 0.00 170 I 7.73 4.46 1.80 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 1.22 0.56 0.82 0.00 0.00 171 W 8.54 4.85 0.00 3.17 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 0.00 172 V 8.73 4.66 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 0.65 0.00 0.00 1.02 0.00 0.00 173 S 8.60 4.26 0.00 3.85 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 0.00 174 P 0.00 4.48 0.00 2.11 2.04 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.