NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *15 H 4.6924 8.4449 117.3778 55.1210 30.0426 172.5096 16 M 3.2007 8.2702 116.0989 54.7432 29.8704 178.2064 17 S 4.2354 8.7423 116.2230 61.7076 64.1262 174.8869 18 G 3.7083 8.0281 108.8479 47.4560 0.0000 175.3160 19 L 4.3333 7.9932 122.9036 57.5893 42.1674 178.6882 20 K 4.3011 8.6389 120.0106 59.2022 31.8526 178.7809 21 K 3.8747 7.4787 118.1579 58.8796 31.9302 178.2461 22 F 4.6646 7.5578 115.9534 57.7084 40.3572 175.7891 23 F 5.0443 7.9889 117.6208 54.8603 39.0856 173.7542 24 P 3.9620 0.0000 0.0000 64.8593 31.5512 177.6902 25 Y 4.9436 7.7203 112.8846 57.4049 39.2988 175.1201 26 S 4.8666 7.7707 115.6490 57.2343 66.3344 173.4721 27 T 4.3369 8.5784 119.3881 65.0999 69.6463 174.5603 28 N 5.1493 7.7974 116.8970 51.8059 41.3062 173.8800 29 V 4.5334 8.5243 114.3773 59.4588 35.9213 174.5495 30 L 4.8393 8.5930 120.9043 54.6011 43.4559 176.8765 31 K 4.9150 9.2552 123.7255 55.0294 33.6784 178.2724 32 G 3.8336 9.7496 120.3307 46.1135 0.0000 173.7706 33 A 4.4016 9.0088 127.9114 52.3444 19.9872 178.3677 34 A 4.3446 7.7883 119.4494 51.8625 19.2075 177.5963 35 A 5.0698 8.5596 123.7889 52.0188 19.8061 176.0609 36 D 4.9488 8.1043 116.0597 54.4756 40.0334 175.6590 37 I 3.8892 7.8039 121.5755 61.7159 37.5479 175.2593 38 A 4.9959 8.2894 128.2339 50.3813 20.9994 177.3815 39 L 4.0202 8.5332 120.4544 57.7225 41.6548 178.2943 40 P 4.2873 0.0000 0.0000 65.4097 30.9825 178.3880 41 S 4.2673 8.0052 112.0146 60.3647 63.2238 175.3496 42 L 4.4411 8.0529 121.8726 53.3202 41.8388 176.0004 43 A 4.2221 7.3705 122.9292 54.0351 18.6126 178.5231 44 G 3.9483 9.5017 110.4048 45.3556 0.0000 173.3255 45 K 4.7710 7.6952 119.0819 54.9137 35.4778 175.3593 46 T 4.6570 8.3685 117.8499 62.9462 70.1198 174.3916 47 V 4.7471 8.4209 125.3971 61.0267 34.8156 173.9415 48 F 5.0544 8.9436 126.4800 55.7273 41.4807 174.6322 49 F 5.0431 8.9083 123.6549 56.9307 40.3613 174.1974 50 Y 5.1723 9.0324 126.8355 56.0266 40.3133 174.4416 51 F 4.9340 9.2271 127.5841 56.2919 40.1383 175.1951 52 S 4.4593 8.0355 116.6849 57.6454 66.1708 172.4709 53 A 4.8859 7.6323 122.2152 50.7313 21.6025 177.7172 54 S 3.2762 8.8330 115.7950 59.5506 63.2336 175.2572 55 W 4.4323 7.4100 116.7671 57.0397 28.8104 175.8848 56 C 4.5555 7.1675 120.4592 57.2676 32.0468 171.6431 57 P 4.2629 0.0000 0.0000 65.5586 31.0839 176.9035 58 P 4.3518 0.0000 0.0000 65.5864 31.1710 178.4697 59 C 4.3483 8.0186 115.2903 63.0632 27.8957 176.2015 60 R 4.0724 7.9376 118.1928 59.0346 29.6598 178.5125 61 A 4.2914 8.0778 120.2290 54.6334 18.6880 179.3633 62 F 4.2740 8.9185 119.7389 61.2892 39.3546 177.3955 63 T 3.9115 8.3320 116.1179 66.3897 68.3618 174.5654 64 P 4.1801 0.0000 0.0000 65.8739 31.2014 178.4081 65 Q 3.9134 7.3607 115.0824 58.7466 28.5271 178.3667 66 L 3.7453 7.5401 121.6774 57.8727 41.8841 179.0509 67 I 3.9558 8.0832 120.2029 64.4855 37.0252 177.9846 68 D 4.4043 8.3222 119.8297 57.4576 40.6972 178.7645 69 F 4.1351 8.4625 121.1117 61.3328 39.3750 176.5691 70 Y 4.3259 8.8356 119.6477 60.7786 38.4585 178.0907 71 K 3.9039 8.4330 118.3501 59.6192 32.2682 178.9120 72 A 3.9858 7.7244 119.6507 54.4306 18.5548 177.7867 73 H 4.5729 7.9235 111.1551 55.1342 30.8860 175.3923 74 A 2.5800 7.5686 122.5290 53.6777 18.4162 179.1644 75 E 3.7721 7.7095 116.5417 58.3608 30.3213 178.2232 76 K 3.8532 7.7864 117.9816 59.0952 32.3305 177.3418 77 K 4.0848 8.1920 115.6902 55.5828 33.0549 175.9327 78 N 4.0604 7.6346 118.1186 54.4622 37.2895 171.9471 79 F 5.7195 7.3740 112.6856 55.3221 42.2128 175.2552 80 E 5.1234 9.5200 119.3347 54.5836 33.6875 174.1651 81 V 4.8808 9.0977 123.3331 61.2359 34.8046 174.0084 82 M 5.2178 8.9974 126.6706 53.3989 35.3217 174.1098 83 L 4.5839 9.2170 129.6469 55.3999 43.8617 175.6138 84 I 4.6740 8.7942 127.8609 59.5925 39.1349 174.3074 85 S 5.0956 8.8869 122.5109 57.2629 63.2265 173.4780 86 W 5.2395 9.0382 126.7630 56.8948 29.4843 176.5567 87 D 4.9405 8.8684 120.5090 54.9084 40.6981 176.6422 88 E 4.5113 9.0472 120.4129 57.7241 30.3762 177.1716 89 S 4.7378 7.6281 112.3425 56.0217 66.7396 175.1929 90 A 3.0372 8.5228 127.5474 55.6587 18.1236 180.7050 91 E 3.9351 7.9972 116.2294 61.3726 29.9270 180.9696 92 D 4.5841 7.9543 120.1695 57.0979 40.8287 178.6238 93 F 4.2042 8.2753 123.4819 61.9529 39.4695 177.8339 94 K 4.1129 8.3792 123.1993 60.1651 31.2973 180.5865 95 D 4.5816 7.9344 119.1762 57.1169 41.0984 178.1249 96 Y 4.3662 8.0866 120.0855 61.0114 38.9455 177.1397 97 Y 3.9188 8.1055 120.4214 60.2981 38.5215 177.6430 98 A 3.6969 7.4880 120.4927 54.3163 18.4871 178.8630 99 K 3.9304 7.4498 114.8296 56.7285 32.7297 176.6790 100 M 3.7422 6.6019 119.3074 52.5592 33.7773 174.2025 101 P 4.3197 0.0000 0.0000 62.7256 32.6089 175.6391 102 W 5.1528 6.4026 117.2471 55.7216 31.0638 175.2525 103 L 5.1257 8.9007 119.2989 54.8337 43.6783 175.6086 104 A 5.1353 8.6065 120.6007 50.3241 22.8454 175.5572 105 L 4.4095 8.7422 124.4612 54.1683 42.9739 175.2684 106 P 4.2666 0.0000 0.0000 62.8969 31.9777 177.0146 107 F 3.7225 8.1532 124.1277 61.1190 39.3596 176.2549 108 E 3.9071 8.1020 118.6832 59.0010 29.9522 177.7476 109 D 4.6052 7.7524 120.5242 53.1084 37.9559 176.6879 110 R 3.8103 7.4449 123.0532 58.9069 30.7313 178.6156 111 K 4.1450 8.0024 117.9891 59.2612 32.0534 179.5169 112 G 3.7971 8.7989 106.4855 47.9054 0.0000 175.4969 113 M 4.1963 8.0655 120.1135 58.6023 32.2566 178.2098 114 E 4.0505 8.5337 118.8741 59.2790 29.6355 178.9822 115 F 4.2420 8.5641 120.7681 61.5490 39.5051 177.2842 116 L 3.9357 8.1544 118.4745 57.8347 41.4229 179.5791 117 T 3.9664 8.3810 115.8404 67.2165 68.5129 176.8943 118 T 4.0481 8.2381 117.7635 66.2324 68.2146 177.1463 119 G 3.2421 7.6183 107.0714 47.2889 0.0000 174.7814 120 F 4.7147 7.6037 116.5926 55.8837 39.6342 175.3797 121 D 4.2758 7.7986 117.3913 55.1678 38.6741 174.7772 122 V 3.6944 7.8210 118.9891 62.7556 31.2287 175.3578 123 K 4.6589 8.5654 126.5160 56.5734 33.4185 176.1764 124 S 4.8953 7.6501 111.7740 56.9433 65.7870 172.9532 125 I 4.4331 7.6959 113.5644 57.8322 40.2458 173.2412 126 P 4.5887 0.0000 0.0000 63.2219 32.2014 175.6516 127 T 4.6216 8.6019 118.1165 61.6810 73.1214 172.6604 128 L 5.2534 8.4158 126.1316 53.4646 45.3593 174.8263 129 V 4.7054 9.0617 127.0905 61.0742 33.9495 174.3544 130 G 3.9333 8.8998 115.5136 44.8856 0.0000 172.9652 131 V 4.9822 8.0733 116.4723 59.3743 36.7853 174.2482 132 E 4.5324 9.0794 122.9078 55.3619 30.2195 177.4239 133 A 4.0607 8.7910 128.6913 55.5874 19.1668 178.5948 134 D 4.5447 8.2918 115.5180 57.5438 41.1104 178.9076 135 S 4.2328 8.1050 111.7611 58.9308 63.5927 175.3176 136 G 4.0555 8.4668 107.6241 45.4294 0.0000 173.0893 137 N 4.7900 8.0006 117.2019 53.1320 40.0991 173.8690 138 I 4.6612 8.2687 121.0306 60.5879 38.7814 175.6335 139 I 4.1413 8.7504 128.1246 62.9677 38.3759 175.5143 140 T 4.7386 7.4680 113.7388 61.8256 70.3487 173.1848 141 T 4.4996 9.4902 115.3445 61.6566 68.7305 174.9467 142 Q 4.5432 7.8479 122.1107 55.6095 29.6453 177.5948 143 A 3.9230 7.8891 121.7445 54.4790 17.9547 179.5778 144 R 3.4503 7.6637 117.3276 59.8472 30.0809 178.2436 145 T 3.6665 7.6162 114.8625 67.2541 68.3488 176.0117 146 M 3.5281 6.6956 120.1411 57.4460 31.5043 178.9000 147 V 2.9706 6.6607 117.9637 65.5748 31.6183 178.0438 148 V 3.7336 6.9975 116.3005 65.9002 31.5608 177.6884 149 K 4.1324 7.8109 117.8492 57.7094 33.6223 176.2264 150 D 5.0722 8.2885 118.1786 52.0881 40.9024 174.4743 151 P 4.7578 0.0000 0.0000 65.3941 32.3576 177.7746 152 E 4.2533 8.4410 117.1260 55.9141 29.5474 176.1806 153 A 4.4746 8.4550 121.5383 53.1313 16.6429 180.2094 154 K 4.0966 8.0713 119.2598 60.5512 32.5159 178.2660 155 D 4.9165 9.2838 116.7631 53.6189 41.3774 175.7844 156 F 2.4484 7.4408 121.2246 57.6345 39.5595 172.7726 157 P 2.9700 0.0000 0.0000 61.5007 31.6859 175.7119 158 W 3.5555 7.2901 115.1340 57.5167 25.2773 173.2238 159 P 4.4403 0.0000 0.0000 64.0851 32.0975 176.2852 160 N 4.2194 8.9386 118.3084 54.2664 37.9918 176.1465 161 V 3.6132 7.2318 115.3334 65.8036 31.9180 177.3788 162 E 4.1314 8.2337 117.6775 58.6977 29.4020 177.9677 163 A 4.0607 8.0193 123.7357 55.0173 18.6304 178.8855 164 K 4.1181 7.7703 119.2591 55.2523 32.3738 182.3476 165 K 4.2616 8.3955 119.2216 55.3957 31.7643 177.9964 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 *15 H 8.44 4.69 0.00 2.95 3.02 0.00 7.32 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.27 3.20 0.00 2.33 2.20 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 2.77 2.57 0.00 17 S 8.74 4.24 0.00 4.01 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 18 G 8.03 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 4.33 0.00 2.18 2.00 1.33 0.49 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 20 K 8.64 4.30 0.00 2.06 2.02 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.56 7.81 21 K 7.48 3.87 0.00 1.29 1.59 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.46 7.81 22 F 7.56 4.66 0.00 2.40 2.36 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 23 F 7.99 5.04 0.00 3.13 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 24 P 0.00 3.96 0.00 0.69 1.38 0.00 3.62 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 25 Y 7.72 4.94 0.00 3.30 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 26 S 7.77 4.87 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.58 4.34 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 28 N 7.80 5.15 0.00 2.66 2.87 0.00 0.00 6.70 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 29 V 8.52 4.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 30 L 8.59 4.84 0.00 1.68 1.79 1.12 0.62 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 31 K 9.26 4.92 0.00 1.86 1.71 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.49 7.81 32 G 9.75 3.83 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 0.00 0.00 0.00 33 A 9.01 4.40 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 34 A 7.79 4.34 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 35 A 8.56 5.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.10 4.95 0.00 2.75 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 37 I 7.80 3.89 2.06 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 1.29 0.98 0.95 0.00 0.00 38 A 8.29 5.00 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 39 L 8.53 4.02 0.00 1.74 1.83 1.09 0.85 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 40 P 0.00 4.29 0.00 2.17 2.14 0.00 3.54 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 2.14 2.18 0.00 41 S 8.01 4.27 0.00 4.07 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 42 L 8.05 4.44 0.00 1.86 1.77 1.00 1.07 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 43 A 7.37 4.22 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 44 G 9.50 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 45 K 7.70 4.77 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.68 7.81 46 T 8.37 4.66 4.39 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 0.52 0.00 0.00 47 V 8.42 4.75 1.80 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 0.76 0.00 0.00 0.92 0.00 0.00 48 F 8.94 5.05 0.00 2.90 2.80 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 49 F 8.91 5.04 0.00 2.87 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 5.17 0.00 2.72 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 51 F 9.23 4.93 0.00 2.67 2.34 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 52 S 8.04 4.46 0.00 2.72 3.26 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 53 A 7.63 4.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 3.28 0.00 3.62 3.26 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 55 W 7.41 4.43 0.00 3.47 3.22 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 56 C 7.17 4.56 0.00 1.87 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 0.00 0.00 0.00 0.00 57 P 0.00 4.26 0.00 2.24 2.14 0.00 3.75 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 58 P 0.00 4.35 0.00 2.14 2.10 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 59 C 8.02 4.35 0.00 3.12 3.04 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 60 R 7.94 4.07 0.00 1.99 2.05 0.00 3.16 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 61 A 8.08 4.29 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 62 F 8.92 4.27 0.00 3.14 3.25 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 63 T 8.33 3.91 4.44 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 1.22 0.00 0.00 64 P 0.00 4.18 0.00 2.24 2.28 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.07 0.00 65 Q 7.36 3.91 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 66 L 7.54 3.75 0.00 0.52 1.37 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.08 3.96 1.96 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.60 0.83 0.00 0.00 68 D 8.32 4.40 0.00 2.90 2.77 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 69 F 8.46 4.14 0.00 3.15 3.25 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 70 Y 8.84 4.33 0.00 3.55 3.35 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 71 K 8.43 3.90 0.00 1.93 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.69 7.81 72 A 7.72 3.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.92 4.57 0.00 2.97 3.00 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.57 2.58 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.71 3.77 0.00 1.86 1.75 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 2.23 2.23 0.00 76 K 7.79 3.85 0.00 1.63 1.71 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 77 K 8.19 4.08 0.00 1.68 1.18 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 0.88 7.81 78 N 7.63 4.06 0.00 2.87 2.81 0.00 0.00 6.64 7.58 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 79 F 7.37 5.72 0.00 3.34 3.27 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 0.00 80 E 9.52 5.12 0.00 2.19 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 2.34 2.46 0.00 81 V 9.10 4.88 1.32 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 -0.59 0.00 0.00 0.95 0.00 0.00 82 M 9.00 5.22 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 83 L 9.22 4.58 0.00 2.18 1.64 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.79 4.67 0.95 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 0.77 0.42 0.86 0.00 0.00 85 S 8.89 5.10 0.00 4.39 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 86 W 9.04 5.24 0.00 3.25 3.45 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 87 D 8.87 4.94 0.00 3.09 2.84 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 88 E 9.05 4.51 0.00 2.08 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 2.22 2.34 0.00 89 S 7.63 4.74 0.00 4.03 3.96 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 90 A 8.52 3.04 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 91 E 8.00 3.94 0.00 1.99 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 1.97 0.00 92 D 7.95 4.58 0.00 2.92 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 93 F 8.28 4.20 0.00 2.76 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 94 K 8.38 4.11 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 95 D 7.93 4.58 0.00 2.71 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 96 Y 8.09 4.37 0.00 3.06 3.04 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 97 Y 8.11 3.92 0.00 2.26 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 3.70 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 99 K 7.45 3.93 0.00 1.65 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.56 7.81 100 M 6.60 3.74 0.00 0.51 1.44 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 101 P 0.00 4.32 0.00 2.12 1.92 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.52 0.00 102 W 6.40 5.15 0.00 3.58 2.90 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 0.00 103 L 8.90 5.13 0.00 1.92 1.86 1.03 0.86 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 0.00 104 A 8.61 5.14 0.57 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 0.00 0.00 105 L 8.74 4.41 0.00 1.85 1.72 1.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.27 0.00 2.21 2.11 0.00 3.70 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 2.14 2.13 0.00 107 F 8.15 3.72 0.00 1.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.10 3.91 0.00 1.95 1.99 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 2.34 2.43 0.00 109 D 7.75 4.61 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.44 3.81 0.00 1.71 1.82 0.00 2.53 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 111 K 8.00 4.15 0.00 1.59 1.89 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.36 7.81 112 G 8.80 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 0.00 113 M 8.07 4.20 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.10 3.07 0.00 114 E 8.53 4.05 0.00 2.28 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 0.00 2.54 2.46 0.00 115 F 8.56 4.24 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.15 3.94 0.00 1.92 1.93 0.51 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.38 3.97 4.59 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 1.49 0.00 0.00 118 T 8.24 4.05 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 1.17 0.00 0.00 119 G 7.62 3.24 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 0.00 0.00 0.00 0.00 120 F 7.60 4.71 0.00 2.95 2.94 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 0.00 121 D 7.80 4.28 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 0.00 122 V 7.82 3.69 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 0.35 0.00 0.00 0.01 0.00 0.00 123 K 8.57 4.66 0.00 1.81 1.89 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.36 7.81 124 S 7.65 4.90 0.00 3.96 3.86 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 0.00 125 I 7.70 4.43 1.48 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 -0.51 0.00 0.00 126 P 0.00 4.59 0.00 2.14 2.25 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 127 T 8.60 4.62 4.04 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 1.06 0.00 0.00 128 L 8.42 5.25 0.00 1.73 1.48 0.82 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.06 4.71 1.98 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 0.28 0.00 0.00 0.72 0.00 0.00 130 G 8.90 3.93 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 0.00 0.00 0.00 131 V 8.07 4.98 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 0.56 0.00 0.00 0.71 0.00 0.00 132 E 9.08 4.53 0.00 1.92 1.87 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 2.23 2.21 0.00 133 A 8.79 4.06 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 0.00 134 D 8.29 4.54 0.00 2.74 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 0.00 135 S 8.10 4.23 0.00 4.00 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 0.00 136 G 8.47 4.06 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 0.00 137 N 8.00 4.79 0.00 2.77 2.79 0.00 0.00 6.90 6.99 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 0.00 138 I 8.27 4.66 2.00 0.00 0.00 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 1.54 1.10 1.12 0.00 0.00 139 I 8.75 4.14 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.80 0.87 0.00 0.00 140 T 7.47 4.74 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 1.34 0.00 0.00 141 T 9.49 4.50 4.18 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 1.24 0.00 0.00 142 Q 7.85 4.54 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 143 A 7.89 3.92 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 0.00 144 R 7.66 3.45 0.00 1.49 1.58 0.00 2.61 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 145 T 7.62 3.67 4.19 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 1.03 0.00 0.00 146 M 6.70 3.53 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.30 0.00 147 V 6.66 2.97 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 0.58 0.00 0.00 0.27 0.00 0.00 148 V 7.00 3.73 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 0.85 0.00 0.00 1.04 0.00 0.00 149 K 7.81 4.13 0.00 1.75 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.40 7.81 150 D 8.29 5.07 0.00 2.82 2.84 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 0.00 151 P 0.00 4.76 0.00 2.35 2.32 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 152 E 8.44 4.25 0.00 2.10 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 2.44 2.29 0.00 153 A 8.46 4.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.07 4.10 0.00 1.94 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.50 7.81 155 D 9.28 4.92 0.00 3.08 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 0.00 156 F 7.44 2.45 0.00 2.51 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 0.00 157 P 0.00 2.97 0.00 1.50 0.62 0.00 3.67 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 158 W 7.29 3.56 0.00 3.61 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 0.00 159 P 0.00 4.44 0.00 2.21 2.15 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 160 N 8.94 4.22 0.00 2.99 2.87 0.00 0.00 6.68 7.18 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 0.00 161 V 7.23 3.61 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 0.89 0.00 0.00 1.00 0.00 0.00 162 E 8.23 4.13 0.00 2.16 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 2.32 2.37 0.00 163 A 8.02 4.06 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 0.00 164 K 7.77 4.12 0.00 1.81 1.62 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 165 K 8.40 4.26 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.