NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 R 4.2348 8.2431 119.7076 56.0757 32.2030 175.4763 -3 G 3.8065 7.7087 105.2120 43.4904 0.0000 171.2803 -2 S 4.3158 8.6487 115.3586 59.1062 64.4556 172.1726 -1 H 4.8581 9.8180 124.4943 54.4530 31.2397 175.5329 0 M 4.0559 8.2532 123.7923 59.0233 32.3578 177.6784 1 C 4.8297 8.3598 113.6593 60.8493 28.7135 174.9174 2 D 4.4011 8.1894 121.0056 57.1951 40.5451 178.5878 3 A 4.1293 7.4477 120.7720 54.4472 18.4011 178.3223 4 F 4.5154 8.1379 113.6890 58.8854 39.5358 176.6524 5 V 4.0157 7.5935 121.3601 62.3932 31.9698 176.1657 6 G 3.8193 7.6712 113.1259 44.3158 0.0000 171.0732 7 T 5.0145 7.7164 116.2146 61.5268 71.1274 173.9152 8 W 5.5493 9.4347 125.8805 54.6451 33.5660 174.4006 9 K 5.3628 9.6341 122.0565 54.7549 35.3340 175.1492 10 L 3.4433 8.4756 125.9501 55.3057 41.7611 176.7797 11 V 4.4723 8.7216 119.1215 61.5927 34.1988 175.9135 12 S 4.6667 7.5161 113.2892 57.1687 66.2386 173.2310 13 S 5.0087 8.3484 115.0393 56.9325 65.8343 172.8387 14 E 4.5336 8.6350 125.0534 55.3507 33.4336 175.7016 15 N 4.4884 9.1448 120.6056 54.6597 37.8346 175.4175 16 F 4.5356 8.1394 122.0053 60.5804 39.3113 176.4740 17 D 4.1424 8.1414 117.3167 57.4526 41.0965 177.7945 18 D 4.3165 8.0752 118.8493 57.4246 40.8715 177.9855 19 Y 4.0227 8.2386 120.0659 61.0952 38.8175 178.0624 20 M 3.6465 8.0988 119.8993 58.0735 32.0495 178.8502 21 K 3.8342 8.1273 118.8988 59.5444 32.0359 178.9914 22 E 3.9047 7.7766 118.2221 59.1927 29.5982 178.7524 23 V 3.8482 7.3146 117.6469 64.3577 31.4971 176.7456 24 G 4.1234 7.4360 105.6303 45.0645 0.0000 173.5957 25 V 3.6061 7.6576 120.0206 62.1297 32.0406 177.0205 26 G 3.8721 8.4696 113.3591 44.0571 0.0000 173.9779 27 F 3.9477 8.9100 121.9538 61.4841 39.2538 177.3430 28 A 4.0146 8.1419 119.3438 55.5295 18.3555 179.4684 29 T 3.7980 7.8952 113.7433 66.8612 68.4839 176.8188 30 R 3.7217 7.9697 119.9443 59.0458 29.8031 179.3435 31 K 3.7070 7.4071 117.1158 59.3851 32.1534 179.3530 32 V 3.6827 7.6439 118.2290 65.7831 31.6053 177.9912 33 A 3.3803 7.9642 121.0715 54.6835 17.8488 179.8127 34 G 3.7134 7.9628 103.5121 47.7687 0.0000 175.4297 35 M 4.1971 7.4619 119.4624 56.3947 32.4739 176.8580 36 A 4.2508 7.0897 121.5640 52.1257 19.2807 177.7376 37 K 4.5060 8.1030 119.8704 53.8241 32.4757 174.3328 38 P 4.8192 0.0000 0.0000 62.4986 33.4112 175.0081 39 N 5.5549 9.1254 119.3900 52.2594 41.0171 173.7679 40 M 5.1867 9.3160 122.7198 53.8347 35.2892 174.2137 41 I 5.0603 8.9824 127.0289 59.6805 40.2782 174.4489 42 I 5.2235 9.0547 128.5267 59.5265 40.1130 175.0063 43 S 4.9932 9.0953 120.1642 56.7542 66.9610 172.9245 44 V 4.6759 8.2255 119.7975 61.2459 34.6067 174.7371 45 N 4.6692 8.9319 125.8761 52.6524 41.3849 174.9607 46 G 3.7922 8.1349 118.2039 47.2454 0.0000 173.9220 47 D 4.5190 8.8488 124.6129 54.2212 41.2586 175.6087 48 V 4.1607 7.6067 121.3641 61.4415 33.1656 174.4198 49 I 4.4912 7.8044 129.2194 59.8364 39.3693 174.7647 50 T 4.9476 8.6395 123.1830 61.6729 71.7722 173.0189 51 I 4.8592 8.9326 127.1240 59.6081 40.1076 174.5573 52 K 4.9937 9.2324 127.4977 54.6647 34.8557 175.4838 53 S 5.1652 9.1124 119.1015 56.6561 65.0254 172.2610 54 E 5.5038 9.5638 127.5804 53.9538 30.4727 175.5201 55 S 5.1079 8.7783 117.7698 57.3040 66.7053 175.3038 56 T 4.1205 8.6615 109.5646 64.3351 68.9147 175.8802 57 F 4.4585 7.8169 123.0158 60.2821 39.8270 174.9637 58 K 4.2369 7.8014 118.8669 55.2897 35.4492 173.1759 59 N 5.5743 8.5103 121.3769 51.8317 40.7603 173.9542 60 T 5.0467 9.0786 113.7666 60.0937 72.8215 172.4408 61 E 5.2831 8.5408 122.0045 54.9594 32.8974 174.0480 62 I 4.7754 8.9416 119.3731 59.2348 41.0166 174.3313 63 S 5.1787 8.3470 119.9866 56.9533 66.1428 173.0174 64 F 4.5799 7.9565 116.6480 56.1333 41.6788 172.5666 65 I 4.8560 8.1467 119.7803 59.0419 39.9616 175.5238 66 L 4.4677 8.6500 126.2558 56.6797 41.8690 177.9393 67 G 3.9489 9.4391 111.9499 45.3592 0.0000 173.0524 68 Q 4.5723 7.7185 118.8084 53.5494 30.0313 175.1197 69 E 4.4907 8.7985 124.8008 56.7407 30.5029 175.6806 70 F 5.1552 8.8342 119.9679 55.3743 42.2250 172.8623 71 D 5.0878 8.8344 119.4828 53.8758 41.8931 175.7386 72 E 4.7574 9.1355 123.5794 54.4150 33.2873 174.2097 73 V 4.7988 8.4604 126.9068 61.3918 32.7223 175.6382 74 T 4.2254 8.8347 119.1266 60.6167 69.7146 175.4678 75 A 3.9794 8.5975 124.6878 55.0387 18.3940 178.0917 76 D 4.7958 8.0976 112.8244 53.2050 39.6811 175.9968 77 D 4.5098 8.1938 118.1008 55.7337 38.6534 174.3094 78 R 3.9554 7.7485 118.0017 55.8497 30.6558 176.0852 79 K 4.8585 8.3912 121.5617 55.3283 32.8739 176.0195 80 V 4.7820 8.9285 118.7526 59.3362 35.8363 174.9828 81 K 4.7697 8.9400 122.4762 55.1868 33.8174 175.8754 82 S 5.0977 8.7074 121.2594 56.8667 66.3263 173.4087 83 T 4.8929 8.5440 118.8768 61.8994 72.8239 172.8693 84 I 5.0175 8.4875 126.0606 59.6581 40.6334 174.6171 85 T 4.9991 8.9038 115.9948 59.8860 72.8583 172.4200 86 L 5.0917 8.4705 121.6130 53.1239 43.5773 175.8136 87 D 4.5981 9.4230 124.5227 52.8054 42.7802 176.0793 88 G 4.1986 9.8276 118.8545 46.5642 0.0000 172.8893 89 G 4.0056 8.2218 104.8851 44.8709 0.0000 172.3823 90 V 4.6101 7.6199 120.5937 61.1227 33.7143 174.7038 91 L 4.6227 8.6598 128.5125 54.4782 42.8242 175.9035 92 V 4.4715 9.0569 125.1166 61.3486 33.9588 173.7049 93 H 5.1472 9.2119 129.0570 54.5344 32.1503 172.5452 94 V 4.8198 8.7067 126.6918 61.2701 33.8938 174.1842 95 Q 5.1988 9.1700 126.9693 54.0617 31.5581 174.5659 96 K 5.4274 8.9397 123.6721 54.4457 35.4418 175.2563 97 W 5.0138 9.2166 119.4248 56.2643 31.8493 174.2162 98 D 4.2370 9.7929 121.1574 55.5309 37.9348 174.6533 99 G 3.7483 8.2168 103.2846 45.8231 0.0000 174.0228 100 K 4.2450 7.4740 119.0942 54.3175 34.5580 174.9053 101 S 5.2606 7.6578 113.6412 57.4272 65.4685 172.8631 102 T 5.0595 9.2935 119.5209 60.8905 71.5580 172.3285 103 T 5.1589 8.7957 122.1938 61.7957 72.3077 172.9223 104 I 4.8800 9.0527 126.7982 59.4783 40.1527 174.5347 105 K 5.0325 9.1973 127.0765 54.6375 34.9733 175.5271 106 R 5.2050 8.9647 123.4541 54.2369 33.3738 174.7954 107 K 5.2512 9.0281 122.0002 55.3941 36.6682 175.3684 108 R 4.5096 8.2564 120.9970 55.6280 31.2165 175.7682 109 E 4.4578 8.7036 124.0620 55.1386 32.7540 174.6237 110 D 4.0747 8.3629 128.1568 56.3170 39.7030 174.4140 111 D 4.8274 8.8815 127.5273 55.3403 41.0718 175.7165 112 K 4.9828 8.1436 119.8876 54.8426 35.3696 174.9379 113 L 4.7268 8.6655 124.2960 53.3031 44.2360 175.0563 114 V 4.7263 8.7344 127.2321 61.1829 33.9472 174.3391 115 V 4.7430 9.0889 128.1345 61.1146 34.0901 173.5434 116 E 5.0182 9.2409 129.9611 54.7282 31.8326 174.0411 117 C 4.9899 8.9315 125.6606 57.8760 30.6940 173.0655 118 V 4.9785 8.9836 124.0880 61.2913 34.4526 174.0126 119 M 4.5089 9.3856 127.3310 54.3260 35.0325 173.7108 120 K 3.8541 10.0611 123.2944 56.6362 29.1409 174.8481 121 G 3.9775 8.3860 108.0228 44.8329 0.0000 171.2672 122 V 4.1457 7.9239 120.6678 61.9680 32.3640 174.4191 123 T 5.2063 8.4772 123.3166 61.7868 70.9031 173.2371 124 S 4.9684 9.1333 120.5566 56.7644 65.7367 172.5363 125 T 5.0154 8.4909 122.6626 61.8331 71.2432 173.3043 126 R 4.9653 9.2302 125.3818 54.2571 33.8334 174.5141 127 V 4.6681 8.6866 124.1437 61.3061 33.9723 173.8440 128 Y 5.2331 9.2703 125.4106 56.3601 41.1448 174.6199 129 E 5.4271 9.1208 121.4884 54.1472 33.8265 175.5999 130 R 3.8484 8.6325 120.0269 56.3701 30.7479 176.8754 131 A 4.2382 8.5325 124.7782 52.2093 18.1282 177.2189 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -4 R 8.24 4.23 0.00 1.82 2.06 0.00 3.17 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 -3 G 7.71 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 -2 S 8.65 4.32 0.00 3.88 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 -1 H 9.82 4.86 0.00 3.11 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 8.25 4.06 0.00 2.09 1.99 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 2.69 2.52 0.00 1 C 8.36 4.83 0.00 3.23 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 2 D 8.19 4.40 0.00 2.88 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 3 A 7.45 4.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.14 4.52 0.00 3.28 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 5 V 7.59 4.02 2.33 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 0.77 0.00 0.00 1.05 0.00 0.00 6 G 7.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.72 5.01 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 1.22 0.00 0.00 8 W 9.43 5.55 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.63 5.36 0.00 1.79 2.04 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.39 7.81 10 L 8.48 3.44 0.00 1.07 1.36 0.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.72 4.47 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 0.87 0.00 0.00 1.00 0.00 0.00 12 S 7.52 4.67 0.00 3.80 3.85 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 13 S 8.35 5.01 0.00 3.67 3.64 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 14 E 8.64 4.53 0.00 1.89 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 2.20 2.37 0.00 15 N 9.14 4.49 0.00 3.02 3.09 0.00 0.00 6.85 7.71 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 16 F 8.14 4.54 0.00 3.07 3.06 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 17 D 8.14 4.14 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.32 0.00 2.93 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 19 Y 8.24 4.02 0.00 3.13 3.12 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 20 M 8.10 3.65 0.00 1.76 1.92 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.09 0.00 21 K 8.13 3.83 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.59 7.81 22 E 7.78 3.90 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 23 V 7.31 3.85 1.85 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 0.71 0.00 0.00 0.31 0.00 0.00 24 G 7.44 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 25 V 7.66 3.61 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 0.69 0.00 0.00 0.88 0.00 0.00 26 G 8.47 3.87 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 0.00 0.00 0.00 27 F 8.91 3.95 0.00 3.16 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 28 A 8.14 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.90 3.80 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 1.21 0.00 0.00 30 R 7.97 3.72 0.00 1.74 1.91 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.85 0.00 31 K 7.41 3.71 0.00 1.62 1.68 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 0.87 7.81 32 V 7.64 3.68 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 1.19 0.00 0.00 0.95 0.00 0.00 33 A 7.96 3.38 0.67 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 0.00 0.00 34 G 7.96 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 35 M 7.46 4.20 0.00 1.98 2.27 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 2.61 2.81 0.00 36 A 7.09 4.25 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 37 K 8.10 4.51 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.34 7.81 38 P 0.00 4.82 0.00 2.28 2.09 0.00 3.52 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 39 N 9.13 5.55 0.00 2.71 2.81 0.00 0.00 6.73 8.52 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 40 M 9.32 5.19 0.00 1.77 1.58 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 41 I 8.98 5.06 1.91 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 1.26 0.45 0.93 0.00 0.00 42 I 9.05 5.22 2.31 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 1.31 0.89 0.98 0.00 0.00 43 S 9.10 4.99 0.00 3.80 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 44 V 8.23 4.68 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 0.55 0.00 0.00 0.86 0.00 0.00 45 N 8.93 4.67 0.00 2.66 2.55 0.00 0.00 6.85 8.77 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 46 G 8.13 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 47 D 8.85 4.52 0.00 2.64 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 48 V 7.61 4.16 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 0.84 0.00 0.00 0.84 0.00 0.00 49 I 7.80 4.49 0.56 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 0.98 0.43 0.68 0.00 0.00 50 T 8.64 4.95 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 51 I 8.93 4.86 1.97 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 1.27 0.90 0.91 0.00 0.00 52 K 9.23 4.99 0.00 1.68 1.72 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81 53 S 9.11 5.17 0.00 3.89 3.75 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 54 E 9.56 5.50 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 55 S 8.78 5.11 0.00 3.95 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 0.00 56 T 8.66 4.12 4.30 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 1.25 0.00 0.00 57 F 7.82 4.46 0.00 2.97 3.19 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 58 K 7.80 4.24 0.00 0.89 1.41 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.19 1.12 7.81 59 N 8.51 5.57 0.00 2.65 2.70 0.00 0.00 6.43 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 60 T 9.08 5.05 4.28 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 1.23 0.00 0.00 61 E 8.54 5.28 0.00 1.96 1.81 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 2.19 2.31 0.00 62 I 8.94 4.78 1.90 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 1.44 1.35 1.09 0.00 0.00 63 S 8.35 5.18 0.00 3.60 3.58 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 64 F 7.96 4.58 0.00 2.72 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.15 4.86 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.94 0.00 0.00 66 L 8.65 4.47 0.00 1.71 1.71 1.01 1.19 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 67 G 9.44 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 68 Q 7.72 4.57 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 69 E 8.80 4.49 0.00 1.99 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 2.38 0.00 70 F 8.83 5.16 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.83 5.09 0.00 2.68 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 72 E 9.14 4.76 0.00 2.09 1.67 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 2.22 2.35 0.00 73 V 8.46 4.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 74 T 8.83 4.23 4.23 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 1.08 0.00 0.00 75 A 8.60 3.98 1.54 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 0.00 0.00 76 D 8.10 4.80 0.00 2.79 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 77 D 8.19 4.51 0.00 2.86 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 78 R 7.75 3.96 0.00 1.48 1.25 0.00 2.21 0.00 0.00 2.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.00 79 K 8.39 4.86 0.00 1.63 1.79 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.51 7.81 80 V 8.93 4.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.88 0.00 0.00 81 K 8.94 4.77 0.00 1.63 1.84 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.55 7.81 82 S 8.71 5.10 0.00 2.72 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.54 4.89 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 1.23 0.00 0.00 84 I 8.49 5.02 1.32 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.35 0.75 0.00 0.00 85 T 8.90 5.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 86 L 8.47 5.09 0.00 1.58 1.68 1.00 1.08 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 87 D 9.42 4.60 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.22 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 90 V 7.62 4.61 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 0.92 0.00 0.00 0.98 0.00 0.00 91 L 8.66 4.62 0.00 1.34 1.39 0.18 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.06 4.47 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 1.01 0.00 0.00 1.00 0.00 0.00 93 H 9.21 5.15 0.00 3.07 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.71 4.82 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 0.98 0.00 0.00 0.94 0.00 0.00 95 Q 9.17 5.20 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 96 K 8.94 5.43 0.00 1.66 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 97 W 9.22 5.01 0.00 3.48 3.19 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 98 D 9.79 4.24 0.00 2.49 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 99 G 8.22 3.75 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 0.00 0.00 0.00 100 K 7.47 4.25 0.00 0.79 0.74 0.00 0.94 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.97 1.00 7.81 101 S 7.66 5.26 0.00 3.75 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 0.00 102 T 9.29 5.06 4.58 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 1.42 0.00 0.00 103 T 8.80 5.16 4.28 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 1.22 0.00 0.00 104 I 9.05 4.88 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.85 0.00 0.00 105 K 9.20 5.03 0.00 1.62 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 106 R 8.96 5.20 0.00 1.49 1.68 0.00 2.93 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 107 K 9.03 5.25 0.00 1.81 1.92 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 108 R 8.26 4.51 0.00 1.42 1.75 0.00 3.06 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.21 0.00 109 E 8.70 4.46 0.00 1.97 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 2.19 2.29 0.00 110 D 8.36 4.07 0.00 2.86 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 0.00 0.00 0.00 0.00 111 D 8.88 4.83 0.00 2.72 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 0.00 112 K 8.14 4.98 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 113 L 8.67 4.73 0.00 0.27 0.71 -0.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.73 4.73 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 0.86 0.00 0.00 0.92 0.00 0.00 115 V 9.09 4.74 2.12 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 0.72 0.00 0.00 0.84 0.00 0.00 116 E 9.24 5.02 0.00 2.01 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 2.17 2.23 0.00 117 C 8.93 4.99 0.00 1.76 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 0.00 118 V 8.98 4.98 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 1.00 0.00 0.00 0.95 0.00 0.00 119 M 9.39 4.51 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 120 K 10.06 3.85 0.00 1.87 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 121 G 8.39 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 0.00 122 V 7.92 4.15 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 1.15 0.00 0.00 0.96 0.00 0.00 123 T 8.48 5.21 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 1.21 0.00 0.00 124 S 9.13 4.97 0.00 4.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 5.02 4.23 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 1.19 0.00 0.00 126 R 9.23 4.97 0.00 1.59 1.63 0.00 2.24 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 127 V 8.69 4.67 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 0.99 0.00 0.00 0.92 0.00 0.00 128 Y 9.27 5.23 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 9.12 5.43 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 130 R 8.63 3.85 0.00 1.52 1.54 0.00 2.93 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 131 A 8.53 4.24 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