NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4631 8.1927 117.1026 57.9042 65.0498 174.6895 0 H 4.3727 8.1235 120.7223 59.0246 30.2395 174.9602 1 M 4.1322 8.3965 120.9759 59.5401 32.1924 177.9435 2 D 4.4058 8.0166 119.8861 57.9309 40.1313 180.3914 3 E 4.2497 7.5245 119.7994 59.5341 29.8178 178.6066 4 I 3.7561 7.6420 119.6762 64.6984 37.3704 178.3192 5 L 4.2098 8.1450 119.2497 58.0533 41.2529 179.5621 6 A 4.2363 7.7517 119.9113 53.7700 18.2684 178.0853 7 R 4.5722 7.7910 113.1289 55.8013 30.2394 175.7489 8 A 4.6793 8.0303 121.5969 51.5405 20.1904 179.4173 9 G 3.9425 8.9323 111.0714 48.9464 0.0000 175.3644 10 I 3.7023 7.6200 117.8008 62.6098 38.0292 175.9201 11 F 5.2160 8.2313 116.7749 57.3510 39.8193 174.7231 12 Q 4.1550 7.8341 124.3703 56.0985 27.3883 173.6122 13 G 4.0520 7.3909 112.5048 44.1437 0.0000 170.8365 14 V 4.4120 7.8799 128.4451 63.3206 32.3574 175.7423 15 E 4.5203 8.2143 113.2820 56.1665 30.7961 178.9487 *23 T 4.1564 7.5787 116.7908 62.7510 70.1341 177.7847 24 K 3.5283 8.6186 115.3824 57.3395 27.7873 173.7972 25 Q 4.7357 7.5322 119.1458 53.4525 29.7805 175.3998 26 L 4.6671 9.1674 119.1040 54.2936 43.6287 176.0309 27 Q 5.1633 7.5112 133.3201 53.2957 30.6165 173.4318 28 P 5.1376 0.0000 0.0000 60.6414 34.2068 175.0439 29 V 4.4371 8.7848 118.0067 60.1974 34.9174 173.9803 30 D 5.2055 8.3366 122.1224 52.8888 42.7023 175.7949 31 F 5.0189 9.0405 121.5400 55.0295 42.6524 173.3008 32 P 4.7920 0.0000 0.0000 61.8696 32.2399 176.0745 33 R 3.9647 7.9561 121.4161 56.7307 30.7518 176.2586 34 G 3.8429 8.1311 110.8187 46.4786 0.0000 172.5833 35 H 4.6893 8.1632 120.2809 54.7526 31.6126 174.5235 36 T 4.0739 8.1328 122.6788 62.7398 67.6438 174.5502 37 V 3.3465 7.8644 128.5307 65.5092 32.2030 175.7327 38 F 4.8433 6.8740 112.1656 56.3468 40.9857 172.9113 39 A 5.0630 8.7270 121.7560 49.6438 21.4116 175.5744 40 E 4.3045 8.2465 120.4344 57.5028 29.7776 177.2769 41 G 4.0197 8.8090 115.1756 44.9939 0.0000 173.2865 42 E 4.4365 7.8152 117.5038 54.7878 31.6969 174.3196 43 P 4.6144 0.0000 0.0000 62.5139 32.0287 176.2434 44 G 4.0263 7.8864 110.4464 44.2937 0.0000 173.1207 45 D 4.7610 8.1383 120.0160 53.1128 42.0349 174.2066 46 R 4.9327 7.8041 116.7442 54.0820 33.1309 173.8578 47 L 4.7363 8.3245 126.2340 54.3718 43.7065 174.8238 48 Y 4.9986 8.4610 116.9785 56.1810 42.3286 174.6076 49 I 5.0472 8.6638 123.5612 59.3710 40.4897 175.0998 50 I 4.3107 8.6430 128.8512 61.9744 37.5882 176.7301 51 I 4.1976 8.9873 127.9590 62.7827 38.5195 176.2039 52 S 4.6176 8.0819 115.0516 57.6940 66.2650 173.6420 53 G 4.3550 9.1208 110.2113 45.8854 0.0000 171.9336 54 K 4.9880 8.3655 117.0466 54.4563 35.9168 175.9336 55 V 4.7841 8.5513 121.6632 61.0397 35.1441 174.0614 56 K 4.7584 9.1065 127.2069 55.5913 35.0615 175.3083 57 I 4.6418 8.4338 124.4914 59.7230 39.0728 174.8570 58 G 4.7225 9.0690 114.5904 43.2744 0.0000 171.2901 59 R 5.2423 8.7262 121.8067 54.0790 34.1315 174.4530 60 R 4.4705 9.3019 124.1650 55.6355 30.5707 176.6479 61 A 4.3419 9.1865 128.0347 50.8455 19.4470 176.5647 62 P 4.2194 0.0000 0.0000 65.3939 31.5642 177.3457 63 D 4.5793 8.0696 115.5865 53.2416 39.2999 177.3526 64 G 3.8576 8.4352 111.0531 46.3321 0.0000 174.8485 65 R 4.3520 7.5166 120.0173 56.4544 31.7647 180.3954 66 E 5.0148 8.4454 116.1691 55.8690 31.9848 175.6668 67 N 4.7245 8.7370 123.7835 52.6766 39.5485 174.7563 68 L 4.5018 8.2766 125.4101 54.7644 41.6672 177.4415 69 L 4.2669 9.0383 125.4916 57.6985 42.5231 176.8916 70 T 4.5120 7.5831 110.6552 61.3061 71.2286 172.2130 71 I 4.8551 8.2420 125.1912 59.7707 38.8382 175.5633 72 M 4.5383 9.0033 128.1924 55.1903 33.5242 176.7844 73 G 4.5660 10.3662 111.1448 43.7954 0.0000 169.5403 74 P 4.6324 0.0000 0.0000 64.6603 31.6596 176.6024 75 S 4.5334 9.3572 119.3345 58.4281 62.5014 169.2882 76 D 4.7653 8.1830 119.9697 54.3295 41.9788 174.9048 77 M 5.3568 8.6412 120.4667 53.9790 34.6768 174.6447 78 F 5.0821 8.7069 119.1899 56.3122 42.0377 175.4680 79 G 4.0621 9.5108 107.4545 45.5449 0.0000 174.3090 80 E 3.6527 7.8833 118.0079 58.0361 30.4765 178.9941 81 L 3.9737 7.8004 119.9283 57.8597 41.7576 178.8331 82 S 4.2734 7.6367 111.7211 59.8325 63.3841 175.4472 83 I 3.7763 7.1268 121.0553 64.1171 37.1831 177.3124 84 F 4.6894 7.3306 117.6239 59.6234 39.0155 175.3887 85 D 4.7632 7.8923 119.8849 50.3000 40.6471 170.8885 86 P 4.1665 0.0000 0.0000 62.7221 31.5019 175.9869 87 G 3.8932 7.8065 110.5958 45.2841 0.0000 169.9347 88 P 4.8326 0.0000 0.0000 61.5367 32.3751 176.6508 89 R 3.8297 8.6342 120.6803 57.1201 30.3191 178.0280 90 T 4.2445 8.3916 111.2115 63.1408 69.6756 173.8695 91 S 4.8204 7.6358 117.4242 58.0257 67.8643 173.0976 92 S 5.1925 9.4659 115.9028 57.0506 65.7400 172.9670 93 A 4.7351 7.8402 122.7175 50.3042 21.5420 175.3628 94 T 4.8578 8.4665 119.3989 61.4244 72.5001 173.8133 95 T 4.3375 8.4059 117.7999 61.9520 69.5441 174.7974 96 I 4.4452 8.3964 117.7165 61.1100 38.8549 174.6245 97 T 4.7451 7.4172 112.3053 59.6162 73.0035 172.6008 98 E 4.3069 8.7790 120.1894 57.1846 30.7042 176.6933 99 V 4.7855 9.2026 122.9949 61.1625 35.1273 173.9454 100 R 5.2251 9.0120 127.9098 54.8775 32.7441 174.3914 101 A 5.1379 8.6478 125.2578 51.4753 23.5389 175.1058 102 V 4.8064 8.9073 112.1326 59.8434 35.0291 175.5601 103 S 5.0033 8.4743 117.9223 56.9384 66.6672 173.3523 104 M 4.6596 8.1675 118.9715 53.8114 34.9185 174.6950 105 D 5.6403 8.1133 120.6498 51.7433 42.4837 176.7184 106 R 3.7880 8.4910 116.8639 59.7583 29.9127 178.2649 107 D 4.3429 8.1055 118.0091 57.4246 40.8290 178.5546 108 A 3.9573 8.4472 121.1828 55.2624 18.4260 179.4138 109 L 3.7874 7.8425 118.7515 58.1173 42.0379 179.2290 110 R 3.9113 8.2897 119.1256 59.5130 30.1293 178.7590 111 S 4.1816 8.2815 114.9277 61.3866 62.8239 176.3382 112 W 4.3954 8.8014 122.2069 60.3827 28.8075 178.6820 113 I 4.0976 8.1088 118.5436 63.8111 36.3090 178.2549 114 A 4.0549 7.8790 121.3634 54.5900 18.2223 179.0069 115 D 4.6725 7.9689 118.5391 56.7860 42.2946 177.8511 116 R 4.5253 8.4324 123.4619 52.9476 30.5126 176.0695 117 P 4.6485 0.0000 0.0000 63.9276 31.1432 177.6653 118 E 4.1705 8.1827 115.6996 58.6375 29.5087 178.8723 119 I 3.8203 8.0409 121.7525 64.1857 37.0530 178.2625 120 S 4.0713 7.9707 115.9147 61.7413 62.7066 176.4241 121 E 3.9524 8.1843 120.5662 59.6974 29.2378 179.4434 122 Q 4.0624 7.8654 117.6598 58.7888 28.6807 178.7215 123 L 3.9707 7.9282 120.0849 57.6938 41.5999 179.5220 124 L 3.8525 7.9331 118.8948 57.7846 41.5022 179.4534 125 R 3.8483 8.3514 119.0035 59.4167 30.0924 178.6965 126 V 3.5727 8.2166 118.1715 66.1507 31.6216 178.1067 127 L 4.0570 8.1996 118.6943 57.5062 41.3360 179.3366 128 A 3.9645 8.2009 120.9648 55.2619 18.3307 179.5008 129 R 3.8181 8.2372 117.4198 59.8837 30.0615 178.9267 130 R 3.9735 7.8942 117.3665 58.8419 30.0097 179.0777 131 L 3.9637 7.9400 119.0158 57.7069 41.6934 179.2721 132 R 3.8679 8.1965 118.8665 59.6044 29.7971 178.5409 133 R 3.9114 7.8830 116.3423 59.7331 30.4387 178.8028 134 T 4.0152 7.7503 114.7912 66.6126 68.2046 176.1418 135 N 4.2682 7.9025 117.1833 56.7326 38.7925 177.0430 136 N 4.4964 8.1149 118.0616 55.6469 39.7637 176.6087 137 N 5.0556 7.7590 124.2273 53.1642 36.7257 182.8101 138 L 4.5851 7.3515 125.0811 52.9420 40.0685 178.1047 139 A 4.7329 7.5712 122.4029 51.8158 20.8331 177.9487 140 D 4.4011 8.2061 117.8853 57.4879 41.6506 177.9941 141 L 4.1981 7.6614 122.9679 53.5756 39.1691 179.5744 *145 D 4.5143 7.2953 122.0096 49.6387 43.2400 178.3037 146 V 4.2248 8.2183 116.7610 61.3804 30.0372 173.8102 147 P 4.5284 0.0000 0.0000 64.8394 31.3094 178.9089 148 G 3.6936 8.0985 104.1983 47.2988 0.0000 175.6894 149 R 4.2173 7.9044 119.6360 58.4748 30.4010 178.9268 150 V 3.6231 7.8674 118.0601 65.7968 31.4869 177.8838 151 A 3.8329 8.0499 120.3511 54.9189 18.2034 179.3091 152 K 3.7520 7.5736 116.6616 59.8446 32.2154 178.7464 153 Q 3.9682 8.1100 118.0119 59.1374 28.7147 178.9010 154 L 3.9888 8.4436 120.0399 58.0125 41.6871 179.7818 155 L 4.0385 8.3698 121.5384 58.5057 41.4094 180.2559 156 Q 4.4679 8.4870 122.3601 59.6311 28.1294 180.4832 157 L 4.3551 8.4663 120.2347 57.5187 41.6118 179.3784 158 A 4.0421 7.9946 121.0597 55.2693 18.1921 179.7383 159 Q 3.9035 7.9876 116.5743 58.9732 28.5317 178.9630 160 R 3.6671 7.2533 117.4221 58.3756 30.1034 177.0423 161 F 5.0576 7.4929 112.8706 56.8302 40.4180 175.3762 162 G 3.9835 8.0420 110.4251 45.7561 0.0000 174.4410 163 T 4.5446 8.0293 107.2844 61.6546 70.9292 174.3696 *169 L 4.2948 7.8726 124.4752 55.1710 44.0481 177.0490 170 R 4.2310 8.1906 120.2828 57.3301 30.7281 178.4126 171 V 4.4459 9.0541 126.4305 60.6022 32.5538 174.1843 172 T 4.2641 8.4869 124.1386 63.0942 67.3423 174.0058 173 H 4.4892 8.6904 121.0062 54.8831 29.7192 176.0916 174 D 4.2308 7.4840 118.5823 55.0552 38.9698 173.4060 175 L 4.5840 7.0028 116.0056 53.9413 43.6461 176.9442 176 T 4.5697 8.8041 120.0085 62.9668 71.2028 177.2425 177 Q 4.0654 8.5315 126.6457 61.1045 28.1998 179.9517 178 E 4.1817 8.1653 120.2348 61.1685 29.7582 180.6606 179 E 4.9537 8.1063 120.6387 58.8309 29.4938 179.5416 180 I 3.7324 8.2945 119.9398 64.3118 37.0916 178.3792 181 A 4.0634 8.4009 121.9772 55.1114 18.2753 179.7236 182 Q 3.9359 8.4153 117.1749 58.7917 28.4960 178.5169 183 L 4.1549 7.6540 121.0656 57.9616 42.1715 178.7635 184 V 3.8250 7.6107 117.7320 63.4583 31.7055 176.1350 185 G 3.7761 8.5855 105.6470 46.5610 0.0000 172.8683 186 A 4.7630 7.7113 119.8365 49.1582 22.7952 176.8261 187 S 4.2439 8.5410 113.8240 58.7550 63.5131 176.0471 188 R 4.0252 8.7862 123.1215 60.7390 29.7216 178.8495 189 E 4.0335 8.3416 118.2851 60.3140 29.4948 181.9481 190 T 4.0498 8.4730 109.2863 65.1290 68.8862 176.6176 191 V 3.5154 7.6520 120.9925 65.5969 31.3970 177.6938 192 N 4.4115 8.5244 117.6994 56.7472 38.5823 178.0042 193 K 4.0501 8.0482 124.9550 59.6799 31.9005 181.8575 194 A 3.8209 8.0390 122.3593 54.9851 18.0077 179.0646 195 L 4.2368 7.6510 112.9612 55.5224 41.7578 177.9206 196 A 4.6037 8.3444 125.4886 54.4480 20.3004 179.8864 197 D 4.3663 7.7928 119.0564 58.4214 39.6716 180.9963 198 F 5.6865 8.2366 118.0897 60.8205 38.9132 177.7047 199 A 5.0183 8.2581 123.7629 55.8069 18.1548 179.4674 *200 H 4.0340 8.3718 118.8899 60.9178 28.1180 180.0780 201 R 3.9569 7.4108 120.3091 59.0060 29.1919 179.2892 202 G 4.0107 7.8869 105.7115 45.3047 0.0000 174.4943 203 W 4.3409 6.9123 122.7855 58.5688 28.8051 176.7019 204 I 5.2361 8.2004 121.3540 59.9068 38.5918 177.8916 205 R 4.7639 8.4598 124.2862 55.8169 32.7992 176.2013 206 L 4.2438 8.8507 130.4160 55.0422 41.3997 174.9335 207 E 4.4821 8.6341 121.5289 53.1943 31.6471 174.2344 208 G 3.9018 8.4754 118.8967 45.6889 0.0000 173.3136 209 K 4.3201 8.3902 121.7970 55.0393 32.1364 172.9581 210 S 5.4304 7.6972 116.5276 59.1139 65.9475 173.1348 211 V 4.3802 7.9228 118.0730 62.5044 34.9393 171.9626 212 L 5.3562 7.9643 125.2272 52.9420 44.8418 178.0311 213 I 4.7553 8.6091 126.2309 59.4501 37.1511 173.0903 214 S 4.7097 8.5567 113.4005 59.8945 64.9938 171.7176 215 D 4.4832 8.0026 122.9904 53.5683 39.3429 175.0913 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 -1 S 8.19 4.46 0.00 3.67 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 0 H 8.12 4.37 0.00 3.35 3.34 0.00 5.85 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 1 M 8.40 4.13 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 2 D 8.02 4.41 0.00 2.82 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 3 E 7.52 4.25 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 4 I 7.64 3.76 1.90 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 1.55 1.16 1.05 0.00 0.00 5 L 8.15 4.21 0.00 1.98 1.89 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.75 4.24 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 7 R 7.79 4.57 0.00 1.98 2.04 0.00 3.09 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 8 A 8.03 4.68 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 9 G 8.93 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 0.00 0.00 0.00 10 I 7.62 3.70 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.77 0.13 0.00 0.00 11 F 8.23 5.22 0.00 3.17 2.92 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 12 Q 7.83 4.16 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 13 G 7.39 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 14 V 7.88 4.41 2.06 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 0.78 0.00 0.00 0.93 0.00 0.00 15 E 8.21 4.52 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 *23 T 7.58 4.16 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 24 K 8.62 3.53 0.00 1.95 1.81 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 0.99 7.81 25 Q 7.53 4.74 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 26 L 9.17 4.67 0.00 1.84 1.92 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.51 5.16 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.05 1.64 0.00 28 P 0.00 5.14 0.00 2.09 2.15 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 29 V 8.78 4.44 1.96 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 0.75 0.00 0.00 0.28 0.00 0.00 30 D 8.34 5.21 0.00 2.43 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 31 F 9.04 5.02 0.00 3.07 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 32 P 0.00 4.79 0.00 1.96 2.00 0.00 3.73 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 2.05 2.09 0.00 33 R 7.96 3.96 0.00 2.07 1.82 0.00 3.28 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.00 34 G 8.13 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 35 H 8.16 4.69 0.00 3.25 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.13 4.07 4.08 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 1.11 0.00 0.00 37 V 7.86 3.35 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 -0.03 0.00 0.00 0.07 0.00 0.00 38 F 6.87 4.84 0.00 3.18 3.14 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 39 A 8.73 5.06 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.97 4.67 0.00 2.89 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 0.00 116 R 8.43 4.53 0.00 1.69 1.78 0.00 3.33 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 117 P 0.00 4.65 0.00 2.16 2.15 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 118 E 8.18 4.17 0.00 2.18 2.22 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 2.40 2.37 0.00 119 I 8.04 3.82 2.15 0.00 0.00 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 1.82 0.69 1.05 0.00 0.00 120 S 7.97 4.07 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.18 3.95 0.00 2.17 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 2.40 2.40 0.00 122 Q 7.87 4.06 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 123 L 7.93 3.97 0.00 1.73 1.51 0.96 0.75 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 0.00 124 L 7.93 3.85 0.00 1.80 1.66 0.90 0.58 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 0.00 125 R 8.35 3.85 0.00 1.87 2.09 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 V 8.22 3.57 2.22 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 1.02 0.00 0.00 1.00 0.00 0.00 127 L 8.20 4.06 0.00 1.71 1.72 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.20 3.96 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 0.00 129 R 8.24 3.82 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 130 R 7.89 3.97 0.00 2.12 1.99 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 131 L 7.94 3.96 0.00 1.91 1.71 0.93 0.63 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 0.00 132 R 8.20 3.87 0.00 1.86 2.15 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 133 R 7.88 3.91 0.00 1.82 1.99 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 134 T 7.75 4.02 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 135 N 7.90 4.27 0.00 2.89 2.90 0.00 0.00 7.10 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.11 4.50 0.00 2.88 2.89 0.00 0.00 6.89 8.03 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 0.00 137 N 7.76 5.06 0.00 2.83 2.62 0.00 0.00 6.84 7.77 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 0.00 138 L 7.35 4.59 0.00 1.65 1.51 0.92 0.78 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 0.00 139 A 7.57 4.73 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 0.00 140 D 8.21 4.40 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.20 0.00 1.66 1.49 0.92 0.89 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 *145 D 7.30 4.51 0.00 2.72 2.47 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 0.00 146 V 8.22 4.22 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 0.67 0.00 0.00 0.93 0.00 0.00 147 P 0.00 4.53 0.00 2.19 1.96 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 148 G 8.10 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 0.00 149 R 7.90 4.22 0.00 1.88 1.98 0.00 3.29 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 150 V 7.87 3.62 2.42 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 1.20 0.00 0.00 1.00 0.00 0.00 151 A 8.05 3.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.57 3.75 0.00 2.04 1.96 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 153 Q 8.11 3.97 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 154 L 8.44 3.99 0.00 1.77 1.70 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.37 4.04 0.00 1.76 1.66 0.82 0.74 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 0.00 156 Q 8.49 4.47 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 157 L 8.47 4.36 0.00 1.88 1.85 0.92 0.99 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 0.00 158 A 7.99 4.04 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 0.00 159 Q 7.99 3.90 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 160 R 7.25 3.67 0.00 1.43 1.20 0.00 2.91 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 161 F 7.49 5.06 0.00 3.13 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 0.00 162 G 8.04 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 0.00 0.00 0.00 0.00 163 T 8.03 4.54 4.27 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 1.26 0.00 0.00 *169 L 7.87 4.29 0.00 1.71 1.78 0.93 1.00 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 0.00 170 R 8.19 4.23 0.00 1.50 1.84 0.00 3.20 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 171 V 9.05 4.45 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 1.10 0.00 0.00 1.02 0.00 0.00 172 T 8.49 4.26 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 0.00 173 H 8.69 4.49 0.00 3.41 3.63 0.00 5.80 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 0.00 174 D 7.48 4.23 0.00 2.65 2.64 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 0.00 175 L 7.00 4.58 0.00 1.96 1.65 0.98 0.79 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 0.00 176 T 8.80 4.57 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 177 Q 8.53 4.07 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 178 E 8.17 4.18 0.00 1.96 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 2.32 1.98 0.00 179 E 8.11 4.95 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 180 I 8.29 3.73 2.05 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 1.44 1.02 0.92 0.00 0.00 181 A 8.40 4.06 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 0.00 182 Q 8.42 3.94 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 183 L 7.65 4.15 0.00 1.82 1.88 0.98 1.07 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 0.00 184 V 7.61 3.82 2.21 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 0.88 0.00 0.00 1.01 0.00 0.00 185 G 8.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.71 4.76 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 0.00 187 S 8.54 4.24 0.00 4.00 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 0.00 188 R 8.79 4.03 0.00 1.87 2.02 0.00 3.13 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 189 E 8.34 4.03 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 190 T 8.47 4.05 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 1.20 0.00 0.00 191 V 7.65 3.52 2.22 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 1.02 0.00 0.00 0.97 0.00 0.00 192 N 8.52 4.41 0.00 2.87 2.86 0.00 0.00 6.99 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 0.00 193 K 8.05 4.05 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 194 A 8.04 3.82 1.04 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 0.00 195 L 7.65 4.24 0.00 1.65 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 196 A 8.34 4.60 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 0.00 197 D 7.79 4.37 0.00 2.70 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 0.00 198 F 8.24 5.69 0.00 3.26 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 0.00 199 A 8.26 5.02 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 *200 H 8.37 4.03 0.00 3.00 3.03 0.00 7.21 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 0.00 201 R 7.41 3.96 0.00 1.92 1.87 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 202 G 7.89 4.01 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 0.00 0.00 0.00 203 W 6.91 4.34 0.00 3.53 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 8.20 5.24 1.87 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 1.20 1.19 0.91 0.00 0.00 205 R 8.46 4.76 0.00 1.43 1.81 0.00 3.22 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 206 L 8.85 4.24 0.00 1.42 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 207 E 8.63 4.48 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 208 G 8.48 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 0.00 209 K 8.39 4.32 0.00 1.70 1.78 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 0.99 7.81 210 S 7.70 5.43 0.00 3.94 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 0.00 211 V 7.92 4.38 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 0.81 0.00 0.00 0.99 0.00 0.00 212 L 7.96 5.36 0.00 1.43 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 213 I 8.61 4.76 1.87 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 1.20 1.15 0.91 0.00 0.00 214 S 8.56 4.71 0.00 3.61 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 D 8.00 4.48 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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.