NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4891 8.3049 118.1938 55.0598 32.6094 174.0951 2 L 4.6025 8.3700 118.6256 50.8830 44.7975 175.7076 3 D 4.8945 8.6249 124.0571 51.8674 43.6909 176.7175 4 A 3.9411 8.5926 120.5043 55.2235 18.0416 180.0487 5 F 4.0154 8.1197 115.6494 60.7448 39.1396 177.4743 6 A 4.0436 8.9173 120.8500 55.2090 18.1795 179.5348 7 K 3.7578 8.1345 118.0461 59.6692 32.2615 179.2736 8 V 3.6029 7.4696 118.0134 65.7831 31.4580 178.1772 9 V 3.5802 8.0662 117.9414 65.9539 31.5081 177.7703 10 A 4.0035 8.7813 121.1433 55.4581 18.2235 179.7067 11 Q 3.9615 8.1295 116.1606 58.9071 28.7215 178.7769 12 A 4.0949 8.0658 121.9766 55.1039 18.4087 179.1651 13 D 4.2147 8.7444 116.7429 57.4379 41.0867 178.3744 14 A 4.2132 7.8216 119.8411 54.3738 18.4124 178.7305 15 R 4.3960 7.3556 112.9545 54.9163 30.8459 176.3351 16 G 3.9356 8.3753 107.2358 46.9028 0.0000 173.6329 17 E 4.8226 8.3089 117.0604 53.8433 33.1840 176.4367 18 F 4.3523 8.7021 119.5803 56.7837 39.8890 175.8730 19 L 4.3067 8.4182 123.7476 54.8960 42.1778 178.0435 20 S 4.5679 9.2720 118.3130 57.7352 65.4551 175.3109 21 N 4.3593 8.5736 118.8616 56.6346 38.1813 177.8905 22 T 3.9080 7.8401 116.9481 66.6384 68.5911 176.6655 23 Q 4.0339 8.1444 120.0704 58.9608 28.7480 178.7929 24 L 4.0541 8.2194 120.1521 57.9294 41.6341 179.3463 25 D 4.4120 8.4617 119.0199 57.0828 40.8118 178.6812 26 A 3.9928 8.0713 121.5092 55.1754 18.4046 179.7314 27 L 3.9354 8.2482 117.4471 57.7943 41.6806 179.5926 28 A 4.1081 8.2120 120.9103 55.0953 18.2249 179.2104 29 N 4.3285 8.2442 115.7400 57.0225 38.7710 177.0632 30 M 4.0821 7.6724 119.0212 58.4351 32.3222 178.4542 31 I 3.9833 7.9404 119.8124 64.3388 37.0501 178.3139 32 A 4.0810 7.8448 120.7543 55.0467 18.5737 178.7728 33 E 4.3285 8.4467 115.2255 56.9489 29.6830 178.9303 34 G 3.7873 7.9883 107.6304 48.1786 0.0000 175.5152 35 N 4.4087 8.1746 118.9159 55.9017 38.6001 177.5517 36 K 4.0506 8.0086 119.3565 59.3920 32.3015 179.2552 37 R 3.9608 8.0905 119.0896 59.3848 29.9277 178.6110 38 L 4.0612 8.4482 119.3000 57.8391 41.6064 179.1556 39 D 4.3723 8.5216 119.3550 57.3507 40.7172 178.9432 40 I 3.7421 7.8417 120.3225 64.4410 37.0692 178.6768 41 V 3.6325 7.7462 118.8509 65.9570 31.2853 177.5264 42 N 4.3032 8.4806 117.0518 56.7484 38.5595 176.9835 43 R 3.9119 7.9180 118.4933 59.3074 30.4582 178.8965 44 I 3.9161 7.6704 119.0446 64.4666 36.7357 178.1428 45 N 4.3264 8.4206 117.6196 56.5730 38.2502 177.3390 46 S 4.4428 8.5563 114.2394 59.9516 63.1261 174.5869 47 N 5.0052 7.8427 118.2331 52.3287 39.9942 176.0183 48 A 4.0158 7.9921 123.3293 55.3819 18.2418 180.7919 49 S 4.0561 8.0425 111.9733 61.5890 63.0915 176.4462 50 A 3.9708 7.9178 124.0954 54.6740 18.3025 179.4062 51 I 3.6129 8.0279 118.6499 64.6068 37.1650 178.6967 52 V 3.5634 7.9010 118.8567 66.1160 31.3494 178.1051 53 S 4.1305 8.3952 114.9375 61.8949 62.7991 176.6436 54 N 4.3230 8.4756 119.3325 56.4003 38.2121 177.7633 55 S 4.0341 7.9829 115.9697 61.3817 62.8787 176.5171 56 A 3.5293 8.1066 123.6690 54.8173 18.1143 179.5597 57 R 3.8878 8.2570 117.3298 59.6628 30.2124 178.6553 58 A 3.9617 7.8597 120.4847 54.8739 18.2601 179.3298 59 L 3.7233 7.7001 118.7964 58.4345 41.9662 179.3909 60 F 4.5310 7.6491 116.1107 60.2276 38.8221 177.1946 61 A 4.2324 7.9368 120.3911 54.4483 18.3295 178.7467 62 E 4.2968 8.0510 114.6653 57.1996 31.7489 176.7549 63 Q 4.9857 8.5151 118.3286 52.3464 29.2393 174.2984 64 P 4.4527 0.0000 0.0000 65.3832 31.8194 179.4751 65 Q 4.0635 8.1842 117.0157 58.8881 28.6479 178.6126 66 L 3.8331 8.2904 119.2255 56.7866 41.7507 178.3347 67 I 4.1919 7.4388 110.1291 60.6193 38.7510 176.0410 68 Q 4.1316 7.3826 119.8873 54.9114 29.1036 173.7723 69 P 2.9700 0.0000 0.0000 63.9875 31.5668 176.7495 70 G 4.0952 8.5097 110.4768 45.5520 0.0000 175.4974 71 G 4.3726 8.0039 113.7234 44.6481 0.0000 175.2086 *73 A 4.0860 8.5783 128.6481 51.3312 19.8728 176.0660 74 Y 4.1937 7.7393 118.8219 59.0318 39.6875 175.4878 75 T 3.1305 7.2681 113.2316 62.1037 69.0137 172.6736 76 N 4.2360 8.2862 119.9918 56.1246 38.5014 177.8201 77 R 3.8318 7.7550 119.9594 59.5723 30.2293 178.6914 78 R 3.9530 7.7624 117.4224 59.2913 29.9687 178.6964 79 M 3.9566 8.2242 118.0298 58.5653 32.1641 178.1186 80 A 4.0053 8.4176 121.1521 55.1008 18.4771 179.5257 81 A 3.9617 8.0744 119.3951 55.2618 18.4744 179.4308 82 C 4.1124 8.4014 117.4237 62.7440 31.6517 175.7733 83 L 4.0670 8.3633 120.9799 57.7721 41.1562 179.4992 84 R 3.9059 8.2721 118.7209 59.6797 29.9809 178.3424 85 D 4.5181 8.6311 119.0624 57.6103 40.7481 178.7475 86 M 4.0984 8.2654 119.2784 58.3661 31.9286 178.3880 87 E 3.9616 8.4834 119.6511 59.2152 29.7351 178.8903 88 I 3.6933 8.2303 120.2664 64.4421 37.1698 178.5135 89 V 3.6720 8.0828 119.1967 65.9773 31.2890 177.7363 90 L 3.9342 8.3616 120.4612 58.1199 41.8001 178.8532 91 R 3.4014 8.3399 118.9714 59.5955 29.9080 178.1812 92 Y 3.4466 7.9429 116.7719 60.5662 37.7882 178.3520 93 V 3.3525 7.9496 120.0545 65.8201 31.5411 178.2648 94 S 4.0787 7.9837 113.9652 61.1797 62.7854 176.1752 95 Y 4.2764 7.3198 120.5211 60.9240 37.7188 177.6450 96 A 4.0288 7.9632 123.1360 54.3959 17.8833 179.3351 97 E 4.0363 8.0665 117.8707 59.5393 29.5715 178.9103 98 I 3.8196 7.7051 117.0722 63.4157 38.2683 177.0261 99 A 4.3615 8.3931 121.2955 51.9619 18.3320 178.2626 100 G 4.5170 8.2002 104.6377 45.5964 0.0000 172.9926 101 D 4.7162 7.5015 117.1171 51.8088 44.2218 175.4003 102 S 4.4240 8.8082 120.1737 58.7659 63.3167 176.2114 103 S 4.1100 8.2543 120.5856 61.9505 62.7550 176.8699 104 V 3.6942 7.7355 122.2331 63.9989 31.1354 178.1181 105 L 3.9253 7.7790 120.8284 58.1202 42.1351 178.4003 106 D 4.2792 8.1724 118.8905 57.4375 40.5503 178.5682 107 D 4.2893 7.9411 118.0149 57.1205 41.1540 178.0239 108 R 4.1397 7.5741 115.6233 57.1963 30.8334 176.2763 109 C 4.2801 7.5093 114.7538 60.6982 33.4903 174.8639 110 L 4.0567 7.9318 119.3046 56.8342 41.6028 176.6297 111 N 4.4879 7.8623 118.0328 55.3123 38.9938 174.8349 112 G 4.4597 8.9223 114.9837 45.1150 0.0000 174.7049 113 L 3.6372 7.9342 121.5803 58.1261 41.9966 178.6970 114 R 4.1024 7.9265 118.0751 59.4893 29.9879 178.0588 115 E 3.9096 8.0582 117.6767 59.7590 29.5092 178.9116 116 T 3.8311 7.7239 115.5965 67.2381 68.5838 176.0335 117 Y 4.5071 7.7203 118.0591 61.2482 37.4478 178.8095 118 Q 4.0440 8.2781 118.7361 59.1320 28.6774 178.9151 119 A 4.0670 8.0429 120.3704 55.0213 18.4402 179.3673 120 L 4.2062 8.0212 117.2820 55.9086 41.7731 178.4416 121 G 3.9863 7.7868 105.1621 45.4054 0.0000 173.0689 122 T 4.0817 7.7127 117.0102 61.7887 69.1872 173.0471 123 P 4.3589 0.0000 0.0000 62.2456 30.9104 176.7401 124 G 3.7978 8.8774 112.5867 48.2290 0.0000 173.6156 125 S 4.1620 8.0281 115.7109 61.3377 62.9488 176.6988 126 S 4.1269 8.1384 118.8645 61.2486 62.4935 176.6958 127 V 3.4911 7.5370 120.4065 65.8096 31.2393 177.8215 128 A 3.9982 8.1850 120.7495 55.0064 18.1175 179.8044 129 V 3.4918 7.7588 116.3780 65.9852 31.6124 178.1387 130 A 3.8714 8.0030 120.5779 55.2331 18.1590 179.6968 131 I 3.7340 7.9825 118.4868 64.5437 37.1813 178.3489 132 E 3.9014 8.5358 120.5742 59.0279 29.3795 179.0717 133 K 3.9172 8.2217 118.9861 59.5096 32.1005 179.2752 134 M 3.9460 7.9843 119.0719 58.0069 31.7968 178.6171 135 K 2.0000 7.6735 120.0816 58.8563 32.2538 178.6970 136 E 3.8184 7.9832 118.5073 59.2975 29.3453 179.2433 137 A 3.9630 7.9608 120.8277 55.1782 18.3347 179.9619 138 S 4.0819 8.3838 114.0868 61.7239 62.9475 177.0866 139 V 3.5921 8.0616 121.4193 65.8392 31.0194 177.8656 140 S 4.0472 7.8364 111.9205 61.5822 62.5224 175.6370 141 D 4.4829 8.0811 121.1477 57.4689 40.4050 178.7353 142 A 4.0786 8.1050 119.8968 54.6742 18.3987 178.3775 143 N 4.8584 7.8734 112.5621 52.4003 38.9750 174.5457 144 D 4.6325 7.6821 121.9340 52.7587 41.1952 176.4534 145 S 4.3294 8.5126 121.5131 59.1580 63.3612 173.6584 146 S 4.1558 8.1309 116.7965 60.7301 61.9585 174.2426 147 G 4.0322 9.5335 116.2767 45.4047 0.0000 172.3847 148 T 4.7251 7.8965 108.9781 58.5884 71.9066 171.7988 149 P 4.3267 0.0000 0.0000 62.5455 31.9573 176.3943 150 S 4.2241 8.6455 117.3316 58.4107 63.0798 173.8156 151 G 3.9440 7.9422 114.0955 45.8520 0.0000 170.7466 152 D 4.8198 8.7873 119.6916 53.1356 42.1449 176.6271 153 C 4.9697 8.3900 124.1816 58.9690 29.9690 176.3537 154 S 4.1080 8.4903 118.7456 61.5438 62.3943 175.8947 155 S 4.0203 7.9596 116.1611 61.2271 62.2298 175.9867 156 L 4.0378 7.8721 121.4682 57.8112 41.4650 179.5036 157 S 4.1620 8.5490 114.2247 61.0288 63.0498 176.4476 158 A 3.9843 8.0358 124.8608 54.8497 18.2227 179.1620 159 E 3.5926 8.2347 117.9218 59.1308 29.8228 178.6233 160 L 4.3480 7.6400 122.1178 57.6314 42.0723 179.1407 161 G 3.8096 8.1807 105.4599 48.2946 0.0000 175.6464 162 T 3.8402 7.6591 117.9684 66.6349 68.4690 176.3443 163 Y 4.3441 7.4313 118.3363 61.0558 37.7964 178.5306 164 F 4.2462 8.2357 118.4642 60.7559 38.9681 177.3582 165 D 4.4669 8.5462 118.6712 57.5587 40.5978 179.0805 166 R 3.9439 8.3244 118.2946 59.2003 29.5520 179.0442 167 A 3.9929 8.0486 120.1527 55.1047 18.2216 179.4371 168 A 4.0352 8.2391 118.5136 55.6731 18.9000 179.8258 169 S 4.2428 8.5550 113.6342 61.4905 62.6901 176.6189 170 A 4.2127 7.8903 122.4401 54.4028 18.1954 179.2245 171 V 4.0574 7.4349 108.6980 62.5600 32.0360 176.4205 172 S 4.4435 7.6079 118.3810 58.5618 62.8844 173.8262 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 M 8.30 4.49 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.37 4.60 0.00 1.61 1.58 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.62 4.89 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.59 3.94 1.12 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 5 F 8.12 4.02 0.00 3.29 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 6 A 8.92 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.13 3.76 0.00 1.86 1.96 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 V 7.47 3.60 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 0.95 0.00 0.00 0.96 0.00 0.00 9 V 8.07 3.58 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 0.95 0.00 0.00 0.97 0.00 0.00 10 A 8.78 4.00 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 11 Q 8.13 3.96 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 12 A 8.07 4.09 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 13 D 8.74 4.21 0.00 2.77 2.78 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 14 A 7.82 4.21 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 15 R 7.36 4.40 0.00 1.98 1.97 0.00 3.46 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 16 G 8.38 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 17 E 8.31 4.82 0.00 1.90 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 2.26 2.35 0.00 18 F 8.70 4.35 0.00 2.99 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 19 L 8.42 4.31 0.00 1.70 1.67 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.27 4.57 0.00 4.03 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 21 N 8.57 4.36 0.00 2.76 2.92 0.00 0.00 6.82 7.05 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 22 T 7.84 3.91 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 23 Q 8.14 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 24 L 8.22 4.05 0.00 1.89 1.76 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.46 4.41 0.00 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 26 A 8.07 3.99 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 27 L 8.25 3.94 0.00 1.83 2.00 1.04 0.68 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 28 A 8.21 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.24 4.33 0.00 2.89 3.00 0.00 0.00 7.16 7.67 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 30 M 7.67 4.08 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 31 I 7.94 3.98 2.09 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 1.92 1.16 0.95 0.00 0.00 32 A 7.84 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.45 4.33 0.00 2.17 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 2.45 2.48 0.00 34 G 7.99 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 35 N 8.17 4.41 0.00 2.76 2.90 0.00 0.00 7.05 7.68 0.00 0.00 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 K 8.01 4.05 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.09 3.96 0.00 2.03 2.14 0.00 3.17 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 38 L 8.45 4.06 0.00 1.86 1.72 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.52 4.37 0.00 2.86 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 40 I 7.84 3.74 2.06 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 1.45 1.25 0.98 0.00 0.00 41 V 7.75 3.63 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 1.12 0.00 0.00 1.03 0.00 0.00 42 N 8.48 4.30 0.00 2.99 2.96 0.00 0.00 7.22 8.21 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 43 R 7.92 3.91 0.00 2.07 2.01 0.00 3.24 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 44 I 7.67 3.92 2.05 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 1.63 1.01 0.94 0.00 0.00 45 N 8.42 4.33 0.00 2.88 2.88 0.00 0.00 7.11 7.88 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 46 S 8.56 4.44 0.00 3.83 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 47 N 7.84 5.01 0.00 2.86 2.75 0.00 0.00 6.72 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.99 4.02 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 49 S 8.04 4.06 0.00 4.07 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 50 A 7.92 3.97 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 51 I 8.03 3.61 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.93 0.00 0.00 52 V 7.90 3.56 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 1.13 0.00 0.00 0.98 0.00 0.00 53 S 8.40 4.13 0.00 3.99 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 54 N 8.48 4.32 0.00 2.81 2.85 0.00 0.00 7.11 7.44 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 55 S 7.98 4.03 0.00 4.01 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 56 A 8.11 3.53 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 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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 75 T 7.27 3.13 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 0.75 0.00 0.00 76 N 8.29 4.24 0.00 2.67 2.85 0.00 0.00 6.65 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 77 R 7.75 3.83 0.00 1.79 1.87 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 78 R 7.76 3.95 0.00 2.11 1.96 0.00 3.21 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 79 M 8.22 3.96 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 80 A 8.42 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.07 3.96 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 82 C 8.40 4.11 0.00 3.10 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 83 L 8.36 4.07 0.00 1.88 1.75 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.27 3.91 0.00 2.00 2.20 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 85 D 8.63 4.52 0.00 3.04 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 86 M 8.27 4.10 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 87 E 8.48 3.96 0.00 2.15 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 2.28 2.35 0.00 88 I 8.23 3.69 2.12 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 1.51 0.69 1.13 0.00 0.00 89 V 8.08 3.67 2.29 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 1.18 0.00 0.00 1.08 0.00 0.00 90 L 8.36 3.93 0.00 1.93 1.80 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 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 0.00 100 G 8.20 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 0.00 0.00 0.00 0.00 101 D 7.50 4.72 0.00 2.72 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 0.00 102 S 8.81 4.42 0.00 4.15 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 0.00 103 S 8.25 4.11 0.00 4.09 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.74 3.69 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.17 0.00 0.00 105 L 7.78 3.93 0.00 1.74 1.89 0.93 1.26 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 0.00 106 D 8.17 4.28 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.29 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 125 S 8.03 4.16 0.00 4.05 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 0.00 126 S 8.14 4.13 0.00 4.00 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 0.00 127 V 7.54 3.49 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 1.16 0.00 0.00 0.34 0.00 0.00 128 A 8.19 4.00 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 0.00 129 V 7.76 3.49 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 1.01 0.00 0.00 0.91 0.00 0.00 130 A 8.00 3.87 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 0.00 131 I 7.98 3.73 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 1.09 0.00 0.00 132 E 8.54 3.90 0.00 2.15 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 2.27 2.69 0.00 133 K 8.22 3.92 0.00 1.87 1.75 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.58 7.81 134 M 7.98 3.95 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 135 K 7.67 2.00 0.00 0.79 1.60 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.18 1.31 7.81 136 E 7.98 3.82 0.00 2.01 1.89 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 2.26 2.22 0.00 137 A 7.96 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.38 4.08 0.00 3.93 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 0.00 139 V 8.06 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 0.99 0.00 0.00 0.95 0.00 0.00 140 S 7.84 4.05 0.00 3.90 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 0.00 141 D 8.08 4.48 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.11 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 7.87 4.86 0.00 2.72 2.86 0.00 0.00 6.91 8.22 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 0.00 144 D 7.68 4.63 0.00 2.75 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 0.00 145 S 8.51 4.33 0.00 4.05 4.11 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 0.00 146 S 8.13 4.16 0.00 3.89 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 0.00 147 G 9.53 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 0.00 0.00 0.00 148 T 7.90 4.73 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 1.28 0.00 0.00 149 P 0.00 4.33 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 150 S 8.65 4.22 0.00 3.83 3.77 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 0.00 151 G 7.94 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 0.00 152 D 8.79 4.82 0.00 2.62 2.58 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 0.00 153 C 8.39 4.97 0.00 2.98 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 0.00 154 S 8.49 4.11 0.00 4.06 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 0.00 155 S 7.96 4.02 0.00 3.90 3.89 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 0.00 156 L 7.87 4.04 0.00 1.87 1.73 1.02 0.91 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 0.00 157 S 8.55 4.16 0.00 4.06 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 0.00 158 A 8.04 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.23 3.59 0.00 1.96 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 0.00 1.85 1.99 0.00 160 L 7.64 4.35 0.00 1.88 1.95 1.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.18 3.81 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 0.00 0.00 0.00 162 T 7.66 3.84 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 1.09 0.00 0.00 163 Y 7.43 4.34 0.00 3.01 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 0.00 164 F 8.24 4.25 0.00 3.30 3.05 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 0.00 165 D 8.55 4.47 0.00 2.85 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 0.00 166 R 8.32 3.94 0.00 2.13 2.04 0.00 3.22 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 167 A 8.05 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.04 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 0.00 169 S 8.56 4.24 0.00 3.90 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 0.00 170 A 7.89 4.21 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 0.00 171 V 7.43 4.06 2.39 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 1.04 0.00 0.00 1.11 0.00 0.00 172 S 7.61 4.44 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.