NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3446 8.0176 110.9365 60.7844 70.0581 174.8027 5 P 4.1087 0.0000 0.0000 64.2023 31.7221 174.8485 6 L 4.7490 7.6133 116.4428 51.7551 44.8004 175.7545 7 P 4.3519 0.0000 0.0000 61.8237 31.8859 174.8054 8 P 4.5760 0.0000 0.0000 62.9785 32.3204 175.2975 9 L 4.8897 8.9029 120.7332 53.0621 44.9263 175.8404 10 R 4.7299 9.2972 121.8283 55.6105 31.7222 175.5533 11 L 5.3560 8.9640 123.0164 52.9457 45.3249 175.3932 12 A 5.1713 8.8339 124.0401 50.6518 21.6333 175.8641 13 I 5.1449 8.8263 120.0547 59.3981 41.7618 174.1151 14 A 5.3715 8.7792 128.5146 51.1748 23.0801 174.6431 15 C 5.6710 9.3692 113.3237 58.4591 33.7238 173.8806 16 D 4.7815 8.3998 120.0857 51.9298 41.4375 176.3900 17 D 4.3128 8.7037 117.3069 56.6192 39.1588 177.2689 18 A 4.1402 8.0633 120.5931 53.3240 18.7584 177.8671 19 G 4.0544 8.0273 104.0859 44.9249 0.0000 175.5327 20 V 3.5882 7.8996 120.7379 65.9857 31.6676 178.1619 21 S 4.1980 8.0455 113.5587 61.7599 62.6022 175.8615 22 Y 4.2318 8.4754 120.4480 60.5070 37.6162 177.9168 23 K 4.0320 8.3788 120.7360 59.6814 32.2611 178.4732 24 E 3.9433 8.5730 118.6789 59.4567 29.4332 179.1119 25 A 4.0032 8.0819 120.5452 55.3330 18.4559 179.7019 26 L 3.9897 8.4726 117.7102 57.6975 41.6194 179.5327 27 K 3.8823 8.6297 119.7442 59.5931 31.9285 178.5164 28 A 3.9942 7.9128 119.4886 55.5339 18.7400 178.8015 29 H 4.3004 8.4368 116.6855 59.4911 30.0012 177.5045 30 L 4.2031 8.6383 121.2641 57.2958 41.2953 179.3558 31 S 4.2441 8.3022 113.7217 60.6924 62.9601 175.2026 32 D 4.7152 7.4149 119.3065 53.2009 41.3230 175.3063 33 N 4.7165 7.6687 120.6837 51.3831 39.6862 173.8458 34 P 4.4385 0.0000 0.0000 64.6295 31.8651 176.8469 35 L 4.1830 8.5000 119.1520 55.3858 41.8606 175.7689 36 V 4.7796 7.6703 120.2325 61.2513 32.3201 175.4674 37 S 4.6685 8.9345 123.5880 59.9082 64.2086 174.3787 38 S 4.6782 7.5040 112.3331 57.5334 65.6972 174.3880 39 I 4.9744 8.4048 121.6678 59.9944 40.1782 174.7987 40 T 4.4369 9.1111 124.6050 61.9585 70.4252 173.2915 41 D 5.1303 8.6658 127.5807 53.1348 41.5123 176.3435 42 V 3.8437 8.6213 119.6278 61.9052 32.3730 176.8971 43 G 3.8192 8.6900 108.1364 44.2234 0.0000 173.3937 44 V 4.2055 8.1349 112.9881 61.5020 31.9950 176.5686 45 T 4.5684 8.2266 108.6890 61.4650 69.5006 173.8601 46 S 4.6519 7.5024 115.9694 57.1983 65.2652 174.7908 47 T 4.1025 8.4766 116.2192 63.9972 68.7730 175.6087 48 T 3.8818 7.7486 112.3939 63.8086 69.0455 174.0018 49 D 4.5347 7.7332 122.1148 53.4359 40.4956 175.1781 50 K 4.4345 8.4666 125.7806 56.4748 32.1812 177.2741 51 T 3.7618 8.0606 116.1046 63.9373 68.8454 174.0328 52 A 4.1081 8.4633 129.1195 51.7803 19.4146 177.5302 53 Y 4.2478 8.6479 120.4580 60.2227 37.4949 177.5349 54 P 4.3701 0.0000 0.0000 64.8427 31.4159 177.9018 55 H 4.0841 7.8810 117.1803 59.5306 29.8156 177.8465 56 V 3.6014 7.7989 113.4268 64.1247 31.3662 178.3427 57 A 4.0071 8.1424 120.6833 55.2767 18.1800 179.8161 58 I 3.7243 8.2372 121.1946 65.0189 37.0087 179.3214 59 Q 3.9419 8.1230 121.3743 60.1986 27.4171 180.6935 60 A 4.1829 8.0391 122.9338 54.8973 18.4046 179.6365 61 A 4.0054 8.2594 119.4722 55.4224 18.3433 179.9063 62 Q 3.9667 8.4353 116.8263 58.9304 28.6263 178.8486 63 L 3.9832 7.7677 120.0590 57.8290 41.6470 179.7119 64 I 3.9467 7.4147 119.9357 63.8260 36.8979 178.2024 65 K 3.9144 7.9100 119.0613 59.5492 32.0011 177.4532 66 D 4.7781 8.1962 116.4337 53.6433 40.8163 176.9456 67 G 3.9499 7.7994 106.9272 46.3188 0.0000 175.3762 68 K 4.1685 8.2927 121.3641 57.9614 32.1037 177.4547 69 V 4.5971 7.3228 109.7805 59.5540 35.5811 175.6299 70 D 4.5595 8.7877 121.1543 56.6968 41.5970 177.2067 71 R 4.9946 7.7207 114.5439 54.7465 35.3274 173.9724 72 A 5.2697 9.2900 121.6209 50.2562 22.8766 174.6932 73 L 4.7084 8.9152 123.5928 53.5442 44.3330 175.1127 74 M 5.3476 8.7461 125.4865 53.6255 35.8638 174.6615 75 I 5.3194 8.1131 122.6533 58.7456 41.3221 176.4105 *77 G 3.9049 8.7233 111.8232 46.1772 0.0000 174.5499 78 T 4.3669 7.9214 108.9312 60.2039 70.8588 175.9073 79 G 4.0528 8.1606 110.0778 46.0309 0.0000 175.3654 80 L 4.1157 7.9177 120.5581 57.5356 41.7525 179.3547 81 G 2.8827 7.4873 105.0752 47.7282 0.0000 176.0493 82 V 3.7757 7.4414 114.4286 63.8510 31.5745 178.4654 83 A 3.9359 7.5718 119.5332 55.0685 18.0115 179.5964 84 I 3.6260 7.6322 117.2585 64.6980 37.2304 178.4554 85 S 4.2980 8.1736 115.5151 61.7210 62.8564 176.7173 86 A 4.0212 8.1936 123.3918 55.2567 17.9270 179.2851 87 N 4.6040 8.0358 113.4592 55.6717 38.6281 177.2501 88 K 4.1659 7.6459 118.9693 57.3671 32.6017 177.4091 89 V 3.7745 7.3151 120.3985 61.4017 31.9587 173.5251 90 P 4.6817 0.0000 0.0000 64.2583 31.4953 176.8150 91 G 3.9535 9.6295 111.5857 45.4881 0.0000 173.0063 92 I 4.5307 7.4757 120.5475 59.5946 38.9203 175.1588 93 R 4.9522 9.4554 123.5662 54.3294 33.0887 174.5670 94 A 5.1580 9.4066 125.1952 50.2696 22.2023 175.5031 95 V 4.4957 8.4813 113.1044 59.8486 36.4266 174.7109 96 T 4.8326 8.3934 118.8648 62.0466 69.8721 174.2303 97 A 4.5269 8.3989 128.3587 50.5354 21.6872 175.2267 98 H 5.0337 9.0562 118.6042 55.3819 29.9972 173.9167 99 D 4.9057 7.6922 118.9697 51.0822 43.8169 175.8913 100 T 3.9871 8.5366 114.5686 65.2381 67.4086 176.3226 101 F 4.1573 8.3369 122.3134 61.4065 39.5199 177.2208 102 S 4.0734 9.1759 115.2368 61.4608 62.3293 176.8549 103 V 3.6279 7.9266 120.9934 65.9137 31.2272 177.6683 104 E 2.7952 7.8692 118.6610 59.1259 29.3077 179.1271 105 R 3.6606 7.6494 117.7074 58.7613 29.9158 178.6116 106 A 4.0815 8.2419 121.2526 55.3717 18.2754 179.6947 107 I 3.7822 7.4176 116.4705 64.5730 37.3081 178.7208 108 L 4.2635 8.0858 118.7752 57.1885 41.4892 178.9373 109 S 4.6847 8.0134 115.4819 59.1456 63.8285 175.3378 110 N 4.6173 8.0166 115.3346 51.8361 39.5100 173.9954 111 D 3.8317 7.6247 118.6769 54.4418 40.2098 173.4426 112 A 4.2459 7.9210 120.6908 51.8552 18.7012 178.5446 113 Q 4.2978 8.7166 122.1504 57.5620 30.3679 175.8889 114 V 4.9573 7.8899 119.6544 60.7851 34.4563 173.9100 115 L 4.8915 8.6413 129.2977 53.2605 44.7220 174.6949 116 C 5.1272 8.6214 122.6878 57.8811 32.0329 172.9988 117 F 5.3107 9.0184 120.6953 55.7812 42.8962 174.6972 118 G 4.1180 8.8187 109.0751 43.8875 0.0000 173.9699 119 Q 3.3694 8.7785 128.8092 58.5250 29.0221 177.6217 120 R 4.1603 7.8772 114.1104 56.6382 30.5140 176.8478 121 V 4.1652 7.5422 117.0362 62.9411 33.5504 175.2253 122 I 4.4655 7.6195 111.1993 58.5844 40.0929 175.8247 123 G 3.9668 8.0967 107.6768 44.8706 0.0000 174.8334 124 I 2.9550 7.8888 121.2880 63.5750 37.9804 178.3104 125 E 3.8180 7.8615 119.1917 58.9973 29.2832 178.8272 126 L 3.8397 7.6860 119.7592 57.9593 42.2032 178.5492 127 A 3.0813 7.6943 120.6809 54.9218 18.1964 179.8007 128 K 3.8998 7.9466 116.9226 59.5327 32.0762 179.6108 129 R 3.9369 8.0016 118.9792 59.3550 29.9430 178.6442 130 L 4.0914 8.2172 118.7900 57.8412 41.4598 179.3006 131 A 4.2972 8.3607 119.8399 55.0403 18.1331 179.6342 132 G 3.8124 8.3410 104.2672 48.1907 0.0000 175.8014 133 E 3.9426 8.3513 121.6982 58.5407 29.0973 178.9208 134 W 4.7479 8.6101 128.6393 61.1034 30.4705 178.0704 135 L 3.7874 7.6304 115.9813 57.2329 41.0865 178.7442 136 T 3.9921 7.4842 108.0719 61.8697 69.5052 174.0733 137 Y 4.8152 6.5468 119.5590 56.6032 39.5491 175.2551 138 R 4.6310 8.3234 121.7379 54.0344 33.6427 175.0892 139 F 4.2573 8.9182 125.2314 58.1389 40.2561 173.9185 140 D 4.4253 7.6116 126.8558 52.5682 40.8644 176.9743 141 Q 3.9829 8.3260 126.6004 58.2609 28.8880 177.5556 142 K 4.2581 7.9045 115.8940 56.2571 32.4643 176.9812 143 S 4.3701 7.5954 114.9986 57.0054 64.2559 175.0742 144 A 4.0434 8.4902 123.5429 55.4994 18.0863 180.2832 145 S 4.2376 7.8819 110.8610 61.6302 62.7010 176.5694 146 A 4.4718 8.0112 123.4069 55.3582 18.0242 179.7287 147 Q 4.0393 8.2245 119.2892 59.6268 28.6289 179.6582 148 K 4.0458 8.0203 124.3716 59.6399 31.9108 181.2575 149 V 3.7837 7.9019 119.7194 66.0146 31.4014 177.9148 150 Q 4.0100 8.4533 119.1498 59.1179 28.9397 178.0727 151 A 4.0679 7.9709 121.8687 55.1692 18.3795 179.7425 152 I 3.7317 7.6017 118.3700 64.7256 37.0064 178.7349 153 S 4.2148 7.9281 114.6635 61.8533 62.7245 176.2930 154 D 4.5133 8.6335 121.9458 57.3480 40.5141 178.0792 155 Y 4.1260 8.0329 119.7538 60.9707 38.9621 178.1325 156 E 4.2431 8.5073 119.1866 59.3239 29.3159 179.1926 157 K 4.1776 7.5974 116.9590 58.2356 32.1799 178.8776 158 K 3.7210 7.6841 118.3420 57.0311 32.1565 176.7092 159 F 4.9297 7.0735 117.5574 55.2366 41.2590 175.2441 160 V 4.4162 8.1203 122.7521 59.5788 33.8418 174.7763 161 E 4.2117 8.8054 123.9981 55.9854 29.5664 176.3240 162 V 4.2732 8.4492 121.2230 62.1460 33.2609 176.3479 163 N 4.5425 7.8463 121.5644 52.5956 38.3241 179.6280 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 4 T 8.02 4.34 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 1.19 0.00 0.00 5 P 0.00 4.11 0.00 2.26 2.21 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 6 L 7.61 4.75 0.00 1.66 1.56 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.35 0.00 2.01 1.96 0.00 3.65 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 2.00 2.05 0.00 8 P 0.00 4.58 0.00 2.12 2.25 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 9 L 8.90 4.89 0.00 1.42 1.45 0.63 1.09 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 10 R 9.30 4.73 0.00 1.70 1.83 0.00 3.17 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 11 L 8.96 5.36 0.00 1.60 1.62 1.07 1.02 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 12 A 8.83 5.17 1.26 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 0.00 0.00 0.00 13 I 8.83 5.14 1.92 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 1.20 1.72 0.95 0.00 0.00 14 A 8.78 5.37 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 15 C 9.37 5.67 0.00 3.09 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 16 D 8.40 4.78 0.00 2.92 2.99 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 17 D 8.70 4.31 0.00 2.92 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 18 A 8.06 4.14 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 19 G 8.03 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 0.00 0.00 0.00 20 V 7.90 3.59 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 1.20 0.00 0.00 1.04 0.00 0.00 21 S 8.05 4.20 0.00 4.18 4.16 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 22 Y 8.48 4.23 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.03 0.00 2.00 2.02 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.55 7.81 24 E 8.57 3.94 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 25 A 8.08 4.00 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 26 L 8.47 3.99 0.00 1.92 1.84 1.20 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.63 3.88 0.00 1.98 1.96 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 28 A 7.91 3.99 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 29 H 8.44 4.30 0.00 3.31 3.55 0.00 5.78 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 30 L 8.64 4.20 0.00 1.78 1.75 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.30 4.24 0.00 4.02 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 32 D 7.41 4.72 0.00 2.87 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 33 N 7.67 4.72 0.00 2.68 2.77 0.00 0.00 6.91 7.24 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 34 P 0.00 4.44 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 35 L 8.50 4.18 0.00 1.82 1.67 0.86 0.55 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 36 V 7.67 4.78 2.20 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 0.86 0.00 0.00 0.99 0.00 0.00 37 S 8.93 4.67 0.00 3.87 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 38 S 7.50 4.68 0.00 3.86 3.94 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 0.00 0.00 0.00 39 I 8.40 4.97 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.95 0.00 0.00 40 T 9.11 4.44 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 1.22 0.00 0.00 41 D 8.67 5.13 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.62 3.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 43 G 8.69 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 0.00 0.00 0.00 44 V 8.13 4.21 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 0.83 0.00 0.00 0.99 0.00 0.00 45 T 8.23 4.57 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 1.23 0.00 0.00 46 S 7.50 4.65 0.00 3.83 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 47 T 8.48 4.10 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 1.22 0.00 0.00 48 T 7.75 3.88 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 1.22 0.00 0.00 49 D 7.73 4.53 0.00 2.69 2.79 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 50 K 8.47 4.43 0.00 1.78 1.80 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.40 7.81 51 T 8.06 3.76 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 1.21 0.00 0.00 52 A 8.46 4.11 1.06 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 0.00 0.00 53 Y 8.65 4.25 0.00 3.26 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 54 P 0.00 4.37 0.00 2.03 2.05 0.00 3.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.29 0.00 55 H 7.88 4.08 0.00 3.16 3.41 0.00 5.78 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 56 V 7.80 3.60 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 0.80 0.00 0.00 1.06 0.00 0.00 57 A 8.14 4.01 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 58 I 8.24 3.72 1.91 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 1.38 0.69 0.90 0.00 0.00 59 Q 8.12 3.94 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 60 A 8.04 4.18 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 61 A 8.26 4.01 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 62 Q 8.44 3.97 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 63 L 7.77 3.98 0.00 1.85 1.73 0.93 1.18 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 I 7.41 3.95 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 1.41 1.50 0.91 0.00 0.00 65 K 7.91 3.91 0.00 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0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.75 5.35 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 75 I 8.11 5.32 1.94 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 1.34 1.76 1.06 0.00 0.00 *77 G 8.72 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 0.00 0.00 0.00 78 T 7.92 4.37 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 1.16 0.00 0.00 79 G 8.16 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 0.00 0.00 0.00 80 L 7.92 4.12 0.00 1.60 1.64 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.49 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 0.00 0.00 0.00 82 V 7.44 3.78 2.08 0.00 0.00 0.00 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 0.91 0.00 0.00 83 A 7.57 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.63 2.05 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 1.51 0.68 0.94 0.00 0.00 85 S 8.17 4.30 0.00 4.12 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 86 A 8.19 4.02 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 87 N 8.04 4.60 0.00 2.95 2.89 0.00 0.00 7.10 7.69 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 88 K 7.65 4.17 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.69 1.57 7.81 89 V 7.32 3.77 2.20 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 0.96 0.00 0.00 0.93 0.00 0.00 90 P 0.00 4.68 0.00 2.10 2.02 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 91 G 9.63 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 92 I 7.48 4.53 2.13 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 1.30 0.92 0.94 0.00 0.00 93 R 9.46 4.95 0.00 1.62 1.75 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 94 A 9.41 5.16 1.19 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 0.00 0.00 0.00 95 V 8.48 4.50 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 0.69 0.00 0.00 0.93 0.00 0.00 96 T 8.39 4.83 4.16 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 1.08 0.00 0.00 97 A 8.40 4.53 1.15 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 98 H 9.06 5.03 0.00 3.14 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.69 4.91 0.00 2.95 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 0.00 100 T 8.54 3.99 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 1.32 0.00 0.00 101 F 8.34 4.16 0.00 3.17 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 0.00 102 S 9.18 4.07 0.00 4.08 3.92 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 0.00 103 V 7.93 3.63 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.08 0.00 0.00 104 E 7.87 2.80 0.00 1.45 1.65 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 1.77 1.47 0.00 105 R 7.65 3.66 0.00 1.62 1.77 0.00 2.73 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.28 0.00 106 A 8.24 4.08 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 0.00 107 I 7.42 3.78 1.96 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 1.79 0.95 1.06 0.00 0.00 108 L 8.09 4.26 0.00 1.51 1.72 0.83 1.01 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 0.00 109 S 8.01 4.68 0.00 3.94 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 0.00 110 N 8.02 4.62 0.00 2.82 2.77 0.00 0.00 7.01 8.06 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 0.00 111 D 7.62 3.83 0.00 1.58 1.90 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 0.00 112 A 7.92 4.25 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 0.00 113 Q 8.72 4.30 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 114 V 7.89 4.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 115 L 8.64 4.89 0.00 0.85 0.13 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.62 5.13 0.00 2.79 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 0.00 117 F 9.02 5.31 0.00 2.94 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 0.00 118 G 8.82 4.12 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 0.00 0.00 0.00 119 Q 8.78 3.37 0.00 1.49 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 120 R 7.88 4.16 0.00 1.92 1.89 0.00 3.10 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 121 V 7.54 4.17 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 0.81 0.00 0.00 0.91 0.00 0.00 122 I 7.62 4.47 1.70 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.46 0.00 0.00 123 G 8.10 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 0.00 124 I 7.89 2.95 0.94 0.00 0.00 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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 E 8.35 3.94 0.00 2.35 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 0.00 2.37 2.53 0.00 134 W 8.61 4.75 0.00 3.55 3.59 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 0.00 135 L 7.63 3.79 0.00 1.76 1.61 0.97 0.71 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 0.00 136 T 7.48 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 137 Y 6.55 4.82 0.00 3.05 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 0.00 138 R 8.32 4.63 0.00 1.75 1.80 0.00 3.33 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 139 F 8.92 4.26 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 0.00 140 D 7.61 4.43 0.00 2.59 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 0.00 0.00 0.00 141 Q 8.33 3.98 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 142 K 7.90 4.26 0.00 1.80 1.78 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.31 7.81 143 S 7.60 4.37 0.00 3.92 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 0.00 144 A 8.49 4.04 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 0.00 145 S 7.88 4.24 0.00 4.13 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 0.00 146 A 8.01 4.47 1.47 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 0.00 0.00 147 Q 8.22 4.04 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 148 K 8.02 4.05 0.00 1.76 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 149 V 7.90 3.78 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 0.85 0.00 0.00 0.88 0.00 0.00 150 Q 8.45 4.01 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 151 A 7.97 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.73 2.03 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 1.52 0.91 0.95 0.00 0.00 153 S 7.93 4.21 0.00 4.03 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 0.00 154 D 8.63 4.51 0.00 2.86 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 0.00 155 Y 8.03 4.13 0.00 3.14 3.21 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 0.00 156 E 8.51 4.24 0.00 2.31 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 0.00 2.52 2.77 0.00 157 K 7.60 4.18 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 158 K 7.68 3.72 0.00 0.79 0.97 0.00 1.46 0.00 0.00 0.97 0.00 0.00 3.01 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.15 1.14 7.81 159 F 7.07 4.93 0.00 3.03 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 0.00 160 V 8.12 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 161 E 8.81 4.21 0.00 1.97 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 2.29 2.40 0.00 162 V 8.45 4.27 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 0.76 0.00 0.00 0.94 0.00 0.00 163 N 7.85 4.54 0.00 2.69 2.50 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.