NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.7716 8.3349 117.1056 57.8464 66.0074 172.7468 0 H 4.9122 7.4063 120.1426 55.7094 28.8807 173.5391 1 M 4.1608 9.3170 129.7686 59.7156 32.3922 177.4658 2 S 4.1716 8.1152 113.4944 61.4424 63.1079 176.0983 3 E 4.1728 8.2530 121.9102 59.0776 29.1332 179.0700 4 Q 4.2269 7.9945 118.5205 58.7562 28.7322 178.6265 5 L 4.0086 7.6536 118.7661 58.2308 41.6579 179.7442 6 T 3.8916 7.8688 115.0081 66.5819 68.3704 176.2333 7 D 4.3277 8.1168 120.7929 57.6934 40.9348 179.0396 8 Q 3.9607 8.3253 118.5670 58.9805 28.5921 179.0972 9 V 3.6417 7.9479 119.2994 65.7524 31.4994 178.1934 10 L 3.9729 8.0815 119.1217 57.6284 41.3745 179.4349 11 V 3.4946 7.8562 118.4659 66.0599 31.3640 177.9097 12 E 4.2099 8.0976 119.5858 58.9397 29.2684 179.5643 13 R 3.9227 7.8316 117.8806 59.1304 30.0584 179.2633 14 V 4.0564 7.7347 119.3595 65.7918 31.5633 178.1204 15 Q 3.9512 8.4085 117.9880 58.6158 28.2964 178.1567 16 K 4.4549 7.6152 116.9407 56.1261 32.4101 177.2523 17 G 3.9381 7.7020 107.1594 45.3036 0.0000 173.9672 18 D 4.6267 8.4396 121.0870 52.8083 40.5645 176.5480 19 Q 4.1826 8.5784 128.8166 58.9885 29.0310 177.7709 20 K 4.0584 8.2558 119.0787 59.2241 31.9784 178.8942 21 A 4.0369 8.3161 121.0976 55.0579 18.1400 179.4547 22 F 4.2474 8.3823 119.4214 61.3911 39.3867 176.8661 23 N 4.1337 8.0966 116.9919 56.4699 38.7049 176.8230 24 L 3.9186 7.5787 120.6244 57.7094 41.7188 179.5203 25 L 4.0422 7.6536 118.4149 57.6841 41.6765 179.4375 26 V 2.9512 7.4797 118.5040 65.8299 31.1079 178.2626 27 V 3.4597 7.5255 116.8805 65.8630 31.3772 177.6597 28 R 3.8732 7.7284 117.6292 58.9844 30.2081 177.2368 29 Y 4.5399 8.0644 114.5740 58.0291 38.5254 177.4208 30 Q 4.3123 8.1813 120.1525 60.0525 28.4162 178.6146 31 H 4.4669 8.0523 117.4233 57.9950 28.9691 177.7616 32 K 4.0253 8.1030 120.0604 59.4590 31.9166 179.4017 33 V 3.5475 8.5260 118.7815 65.8539 31.4365 177.9047 34 A 3.9895 8.2244 120.6228 55.0934 17.9793 179.4857 35 S 4.0055 8.1720 111.0248 61.4042 62.7871 175.8916 36 L 4.0367 7.7316 122.8797 58.3040 41.8882 179.0988 37 V 3.7100 8.0588 118.6742 65.9223 31.2212 177.7763 38 S 4.4558 8.0843 112.4941 60.4789 62.9973 175.9445 39 R 4.0345 7.8389 120.9348 57.9837 29.9264 176.4452 40 Y 4.4817 8.2990 115.6098 58.1093 40.0933 176.1407 41 V 4.6322 7.4362 110.0722 58.2762 35.4448 173.5291 42 P 4.4532 0.0000 0.0000 62.4494 32.1117 177.7285 43 S 4.2163 8.9366 116.4287 61.9540 62.3518 176.8974 44 G 3.7911 8.1010 106.6631 46.2169 0.0000 173.9287 45 D 4.7985 8.1309 120.0527 53.8574 41.8259 178.1815 46 V 3.4991 7.4958 119.6788 65.5919 31.4950 175.9403 47 P 4.2456 0.0000 0.0000 65.7654 31.2255 178.3245 48 D 4.3203 7.9396 117.1035 57.4386 40.8094 178.9417 49 V 3.4357 7.6291 118.7399 65.6576 31.4621 178.3324 50 V 3.5342 8.0599 118.5410 65.7810 31.3823 177.6358 51 Q 4.0738 8.3110 119.5258 59.4665 28.8593 178.0766 52 E 3.9813 8.2504 119.9504 59.1497 29.5349 178.6135 53 A 3.8733 8.0920 120.8112 55.2322 18.3624 179.6489 54 F 4.3556 8.1024 116.2252 60.7875 38.9349 178.0324 55 I 3.9043 8.0659 119.5333 64.4740 36.9367 178.6802 56 K 4.0257 8.4980 119.3633 59.2164 31.5922 179.3165 57 A 4.0076 8.1563 120.6661 55.3487 18.7627 178.5394 58 Y 3.8420 8.5718 118.3820 61.0903 38.5552 178.8280 59 R 3.9292 8.2641 117.3492 58.4370 30.3951 177.8791 60 A 4.6005 8.0157 118.4918 52.0351 19.3381 178.3933 61 L 3.9194 7.8263 120.4017 58.2931 41.8316 178.7112 62 D 4.3893 8.0858 117.7080 56.8555 40.8851 177.2870 63 S 4.3650 8.1710 112.3500 58.9762 63.6674 174.0685 64 F 3.9110 7.7322 124.8906 57.9336 39.2889 174.9030 65 R 4.0858 7.3437 124.4744 55.3188 31.3158 176.2627 66 G 3.5776 5.5610 106.2223 45.5462 0.0000 175.0718 67 D 4.2802 7.2783 118.9109 55.8568 40.9456 175.5910 68 S 4.5602 7.1705 112.4551 55.4252 66.4830 174.0400 69 A 4.1911 8.1786 121.7558 51.7505 19.8277 178.1204 70 F 3.6056 8.8290 124.5549 61.3745 39.4620 177.2780 71 Y 3.1109 7.6943 116.7874 60.0816 37.5662 178.4475 72 T 3.6937 6.5381 116.9175 65.9077 68.6693 176.1691 73 W 4.0134 7.8076 130.1731 60.3098 30.6380 177.8037 74 L 3.4536 7.5011 120.3132 58.2036 41.3804 178.4596 75 Y 4.2804 7.8668 117.0908 61.1766 37.7713 178.8521 76 R 3.8420 8.0429 118.9805 59.3401 30.0852 179.1951 77 I 3.4410 7.1876 118.7698 64.0583 36.9487 178.3635 78 A 3.7716 7.9185 121.8981 55.0992 18.1938 179.8918 79 V 3.0611 7.9257 117.1190 65.9091 31.4537 177.9289 80 N 4.1981 7.9968 116.2008 56.7008 38.3541 177.4906 81 T 3.8006 8.0008 116.9425 66.4785 68.4942 176.6085 82 A 3.9391 7.9774 122.7590 55.0570 18.3996 179.9099 83 K 3.9470 8.0150 117.0314 59.7062 32.0447 179.4289 84 N 4.3597 8.4135 117.0159 56.2231 38.1681 176.8243 85 Y 3.8507 7.9977 120.2608 60.6188 39.2325 177.7549 86 L 4.2272 8.1163 119.7883 58.1919 41.5892 180.1211 87 V 3.6602 7.6795 110.4295 64.1564 31.5721 177.7958 88 A 4.2537 7.9843 117.3753 54.2286 18.5948 176.7937 89 Q 4.5911 7.9846 118.6561 56.1268 31.8788 175.3868 90 G 3.8032 8.8279 100.7747 48.6085 0.0000 174.4251 91 R 4.5217 12.0000 116.3866 55.9038 31.5201 175.7707 *120 N 4.6405 8.2304 113.8431 52.1539 38.9398 174.3129 121 L 4.3641 7.6341 118.6812 55.0750 42.7199 175.5527 122 M 4.6714 7.8592 117.5729 53.1984 35.0831 174.8192 123 L 4.1950 8.4045 125.9870 54.5126 43.3150 178.6742 124 S 4.1427 8.6791 118.9857 61.5104 63.0552 176.2970 125 E 3.8982 8.1520 122.4681 58.8964 29.4943 178.3535 126 E 3.8822 8.0643 118.9830 59.1655 29.8765 178.2257 127 L 3.9513 7.6867 120.1858 58.2419 42.0111 178.9030 128 R 4.0332 8.3313 118.8181 59.5318 29.9991 178.4520 129 Q 4.0735 8.1288 117.8299 59.1667 28.7285 179.0158 130 I 3.7350 7.7040 120.3563 64.1924 37.0404 178.6870 131 V 3.4483 8.2328 119.5051 66.1831 31.3333 178.2473 132 F 3.9333 8.5359 117.6504 60.0881 38.4479 177.7829 133 R 3.9186 8.0556 118.0926 59.6703 30.1618 178.4185 134 T 3.9910 7.8536 115.4781 66.7277 68.4597 176.6032 135 I 3.6297 7.8269 121.8427 64.5575 36.9486 178.0941 136 E 4.2253 8.4132 117.6249 57.9787 29.4427 178.2245 137 S 4.5803 7.7709 112.9343 57.5682 64.0327 174.4618 138 L 4.1772 6.9437 122.7279 53.7038 42.3039 175.5940 139 P 4.2921 0.0000 0.0000 63.0760 32.9956 177.3340 140 E 3.9735 8.8383 121.6408 59.5010 29.5647 179.0377 141 D 4.3388 8.0043 118.7810 56.2165 39.6354 178.4841 142 L 3.9582 7.7949 120.0681 57.3749 41.6530 179.1057 143 R 3.8302 8.0207 118.6755 59.6196 29.9965 178.0888 144 M 3.9681 8.2984 118.0005 58.6093 32.1887 177.9788 145 A 3.9247 7.9543 120.6479 55.3794 18.6255 179.5600 146 I 3.7058 7.8952 117.3854 64.2190 37.9662 178.2058 147 T 3.9641 8.2127 111.0966 64.6886 68.7409 176.7485 148 L 4.1541 8.2270 122.1083 57.4430 41.4525 179.4814 149 R 4.1048 8.0408 118.6367 59.7129 29.9730 178.4026 150 E 4.1080 8.2538 117.0530 58.4575 29.7133 178.3685 151 L 4.4348 8.0040 117.7416 56.4912 42.6682 177.8814 152 D 4.7576 8.0840 115.2080 53.4488 41.4241 177.3270 153 G 4.1242 8.0202 106.8794 45.4311 0.0000 173.9610 154 L 4.3526 7.8155 119.4298 54.1611 42.3670 177.8272 155 S 4.5235 9.1127 117.5463 58.0472 65.1888 175.0851 156 Y 4.3603 8.5561 120.0985 61.4527 37.6691 178.9315 157 E 4.0880 8.2788 117.9081 59.2431 29.9174 178.9453 158 E 4.0041 8.0606 119.9423 59.3685 29.5602 179.2932 159 I 3.7542 8.0546 119.7146 64.2393 37.1817 178.2231 160 A 4.0768 8.4736 121.8766 55.1397 17.7458 179.6406 161 A 3.9652 8.0082 119.0674 55.3629 18.2752 179.9801 162 I 3.7615 7.5276 117.1158 64.4364 37.3186 177.7449 163 M 4.2586 8.3896 116.5303 54.0625 33.1307 175.4109 164 D 4.3585 7.6756 117.1732 54.7985 40.0939 171.5255 165 C 4.8107 8.0237 111.7696 55.9386 33.7281 172.4408 166 P 4.4638 0.0000 0.0000 62.1334 31.7388 177.9429 167 V 3.7435 8.5443 119.8778 66.3506 31.3395 178.6944 168 G 3.6102 8.0639 104.7487 47.7721 0.0000 175.7212 169 T 3.9594 7.7653 118.0823 66.3000 68.3985 177.0884 170 V 3.4097 7.5100 119.8060 65.8014 31.6253 177.6236 171 R 3.3392 7.7850 118.5780 59.4722 29.7702 178.3292 172 S 4.2097 7.9581 112.5698 61.5125 62.4361 176.2350 173 R 3.8773 8.0782 120.7885 59.4060 29.7596 179.1841 174 I 3.6904 7.8371 119.6085 64.1762 36.9942 178.2647 175 F 4.3112 8.2740 121.5084 61.5634 39.2785 177.4415 176 R 3.3834 8.1844 117.6115 58.8269 29.7533 178.9716 177 A 3.8907 8.0126 120.6351 55.1758 18.4073 179.8621 178 R 3.8193 8.0574 116.6667 59.4349 30.1410 179.1026 179 E 3.8480 8.2286 118.4413 59.3539 28.9713 179.3129 180 A 3.9373 7.9518 120.7077 55.1276 18.3774 179.8621 181 I 3.4834 7.7184 118.3416 64.4931 37.2321 177.9652 182 D 4.2947 8.4673 119.3350 57.4348 40.7106 177.8130 183 N 4.2596 7.9046 116.6108 56.7651 38.9870 176.6634 184 K 4.1342 7.4039 118.4390 58.9800 32.3985 179.3169 185 V 3.7184 7.8815 118.8624 65.8570 31.4818 177.6355 186 Q 3.9929 8.0233 118.1367 58.8368 28.5038 177.6471 187 P 4.4040 0.0000 0.0000 64.8982 31.3460 177.1924 188 L 4.3587 7.8474 118.2300 56.3430 42.3336 177.9374 189 I 4.1441 7.4969 117.7971 62.1721 37.6444 175.7975 190 R 4.0964 7.8501 120.8905 56.3045 29.3398 176.2803 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 8.33 4.77 0.00 3.65 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 H 7.41 4.91 0.00 3.25 2.31 0.00 5.60 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 1 M 9.32 4.16 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 2 S 8.12 4.17 0.00 4.01 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 3 E 8.25 4.17 0.00 2.28 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 0.00 2.33 2.36 0.00 4 Q 7.99 4.23 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 5 L 7.65 4.01 0.00 1.93 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.87 3.89 4.42 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 1.20 0.00 0.00 7 D 8.12 4.33 0.00 3.00 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 8 Q 8.33 3.96 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 9 V 7.95 3.64 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 1.02 0.00 0.00 0.92 0.00 0.00 10 L 8.08 3.97 0.00 1.81 1.65 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.86 3.49 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 1.09 0.00 0.00 0.16 0.00 0.00 12 E 8.10 4.21 0.00 2.18 1.97 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 2.31 2.44 0.00 13 R 7.83 3.92 0.00 1.98 1.99 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 14 V 7.73 4.06 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 1.51 0.00 0.00 1.30 0.00 0.00 15 Q 8.41 3.95 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 16 K 7.62 4.45 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 17 G 7.70 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 18 D 8.44 4.63 0.00 2.72 2.70 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 19 Q 8.58 4.18 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 20 K 8.26 4.06 0.00 1.99 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.46 7.81 21 A 8.32 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 22 F 8.38 4.25 0.00 3.30 3.32 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 0.00 23 N 8.10 4.13 0.00 2.76 2.91 0.00 0.00 7.16 6.65 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 24 L 7.58 3.92 0.00 1.80 1.67 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.65 4.04 0.00 1.59 1.76 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.48 2.95 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 0.09 0.00 0.00 0.05 0.00 0.00 27 V 7.53 3.46 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 0.79 0.00 0.00 0.88 0.00 0.00 28 R 7.73 3.87 0.00 1.86 2.07 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.20 0.00 29 Y 8.06 4.54 0.00 3.69 3.36 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 30 Q 8.18 4.31 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.82 0.00 0.00 0.00 0.00 0.00 2.39 1.95 0.00 31 H 8.05 4.47 0.00 3.23 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 4.03 0.00 2.06 2.11 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.56 7.81 33 V 8.53 3.55 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 34 A 8.22 3.99 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 35 S 8.17 4.01 0.00 3.96 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 36 L 7.73 4.04 0.00 1.53 1.64 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.06 3.71 2.14 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 0.88 0.00 0.00 0.88 0.00 0.00 38 S 8.08 4.46 0.00 4.06 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 39 R 7.84 4.03 0.00 1.86 1.68 0.00 3.06 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 40 Y 8.30 4.48 0.00 3.02 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 41 V 7.44 4.63 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 0.80 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.45 0.00 2.21 1.99 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 43 S 8.94 4.22 0.00 4.04 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 0.00 44 G 8.10 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 45 D 8.13 4.80 0.00 2.73 2.35 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 46 V 7.50 3.50 2.17 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 1.12 0.00 0.00 0.99 0.00 0.00 47 P 0.00 4.25 0.00 2.19 2.09 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 48 D 7.94 4.32 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.63 3.44 1.85 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 58 Y 8.57 3.84 0.00 2.61 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.26 3.93 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 60 A 8.02 4.60 1.55 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 0.00 0.00 61 L 7.83 3.92 0.00 2.03 1.54 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.09 4.39 0.00 2.68 2.70 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 63 S 8.17 4.36 0.00 4.07 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 64 F 7.73 3.91 0.00 1.53 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 65 R 7.34 4.09 0.00 1.49 1.65 0.00 3.21 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 66 G 5.56 3.58 0.00 0.00 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2.84 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 0.00 153 G 8.02 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 0.00 154 L 7.82 4.35 0.00 1.72 1.66 0.95 0.79 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 0.00 155 S 9.11 4.52 0.00 4.05 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 0.00 156 Y 8.56 4.36 0.00 3.02 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 0.00 157 E 8.28 4.09 0.00 2.27 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 0.00 2.39 2.50 0.00 158 E 8.06 4.00 0.00 2.19 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 2.35 2.38 0.00 159 I 8.05 3.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.90 0.00 0.00 160 A 8.47 4.08 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 0.00 161 A 8.01 3.97 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 0.00 162 I 7.53 3.76 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.92 0.00 0.00 163 M 8.39 4.26 0.00 1.92 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 164 D 7.68 4.36 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 C 8.02 4.81 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.46 0.00 2.20 2.01 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 167 V 8.54 3.74 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 1.27 0.00 0.00 1.00 0.00 0.00 168 G 8.06 3.61 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 0.00 0.00 0.00 169 T 7.77 3.96 4.41 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 1.19 0.00 0.00 170 V 7.51 3.41 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 0.75 0.00 0.00 0.95 0.00 0.00 171 R 7.79 3.34 0.00 1.92 2.10 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 172 S 7.96 4.21 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 0.00 173 R 8.08 3.88 0.00 1.98 1.91 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 174 I 7.84 3.69 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.97 0.00 0.00 175 F 8.27 4.31 0.00 3.08 3.34 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 0.00 176 R 8.18 3.38 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 177 A 8.01 3.89 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 0.00 178 R 8.06 3.82 0.00 2.04 2.00 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 179 E 8.23 3.85 0.00 1.72 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 1.84 1.66 0.00 180 A 7.95 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.72 3.48 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.82 0.00 0.00 182 D 8.47 4.29 0.00 2.74 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 N 7.90 4.26 0.00 2.81 2.98 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.40 4.13 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.55 7.81 185 V 7.88 3.72 2.05 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 1.09 0.00 0.00 0.98 0.00 0.00 186 Q 8.02 3.99 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 187 P 0.00 4.40 0.00 2.21 2.17 0.00 3.69 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 1.98 2.05 0.00 188 L 7.85 4.36 0.00 1.78 1.75 0.95 1.02 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 0.00 189 I 7.50 4.14 1.86 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 1.86 0.77 0.91 0.00 0.00 190 R 7.85 4.10 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.