NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2339 8.3144 121.7900 55.9136 33.5728 175.0028 2 E 3.9987 8.3574 125.4939 53.9286 30.4863 175.0080 3 S 4.4922 8.8229 122.4161 57.9119 66.5179 174.7198 4 A 3.9804 8.6174 124.2239 55.2155 18.0593 180.1240 5 A 3.9759 7.9572 118.8574 55.2774 18.5942 179.5556 6 A 4.0051 7.9488 118.9956 55.1213 18.4718 179.6649 7 K 4.0640 8.3474 119.7741 59.0892 32.1783 178.8229 8 F 4.2159 8.1783 120.5218 61.1774 39.3462 177.1192 9 E 3.9900 8.3151 117.9381 59.2461 29.0478 179.1531 10 R 3.8102 7.9961 117.8998 59.5920 30.3207 178.1305 11 Q 4.1305 7.7844 114.6049 57.3059 29.0678 176.1921 12 H 4.6056 7.7716 113.2290 54.8491 31.7377 172.8643 13 M 4.5616 7.6299 119.8699 53.7031 33.4100 176.4954 14 D 4.7003 8.0820 122.3436 53.1410 42.0391 174.3469 15 S 4.4068 8.0444 118.2257 56.9478 64.1256 173.9345 16 G 4.4040 7.9794 116.9102 46.8410 0.0000 172.4106 17 N 4.6175 8.1433 118.8495 53.7708 39.7938 174.8258 18 S 4.6519 7.6203 112.5117 56.8854 66.7566 172.4693 19 P 4.4370 0.0000 0.0000 64.5025 31.4217 177.2472 20 S 4.3877 7.9006 113.2101 60.1377 64.1719 174.8631 21 S 4.3589 7.7617 115.0597 57.2542 63.1946 174.3969 22 S 4.1447 8.8919 121.3202 62.2531 62.1936 177.1530 23 S 4.2449 7.5256 116.2824 60.4895 62.8503 175.3747 24 N 4.6972 8.6340 118.5635 53.5158 38.4582 175.9671 25 Y 4.0547 8.1580 122.9216 61.2579 38.8237 177.6787 26 C 4.1618 8.4012 117.0520 59.8339 35.3008 175.6649 27 N 4.4495 8.2386 117.6278 56.7196 38.1846 177.3242 28 L 3.9691 7.9139 119.9990 57.8334 41.6591 179.5146 29 M 3.6807 7.9154 119.1090 58.2906 31.8083 178.5807 30 M 4.1038 8.2656 119.2123 58.3664 32.0127 178.4838 31 C 4.3230 7.7456 120.1296 62.1604 31.6369 174.9925 32 C 4.0240 8.2339 119.1910 62.4666 31.1856 174.9334 33 R 4.3019 8.1412 116.5074 55.4802 29.9420 176.3363 34 K 3.9183 7.8754 117.0679 58.3895 29.7484 176.4118 35 M 4.6017 8.2709 115.6755 55.4361 32.3386 177.2988 36 T 4.5806 7.8850 107.4725 61.4185 69.3185 172.9411 37 Q 4.6940 8.2888 121.4965 56.4388 29.6668 173.9283 38 G 4.0717 10.8628 112.0681 45.5265 0.0000 172.6323 39 K 3.6369 6.8165 116.0633 55.4343 34.7817 174.5472 40 C 4.7420 8.6011 120.3823 55.4503 40.9417 173.7870 41 K 4.2425 8.6545 127.2192 55.7294 32.5412 174.6982 42 P 4.6982 0.0000 0.0000 65.2021 32.3888 176.5216 43 V 4.9596 7.5972 117.1209 61.1346 34.4881 174.2116 44 N 4.7275 9.2230 125.4112 52.6709 42.7681 172.8107 45 T 4.7132 7.7905 122.1021 61.7227 70.6804 173.6176 46 F 4.7085 9.3025 125.2352 55.7552 41.6865 174.7138 47 V 4.6147 8.4229 122.3170 61.7412 32.8650 174.9068 48 H 4.9223 8.9766 124.1865 55.8044 29.3117 175.3723 49 E 4.2671 8.1405 118.4114 55.3749 30.3161 177.1614 50 S 4.3222 8.3891 115.6152 58.5787 64.8010 175.1627 51 L 3.9817 8.4979 123.7428 58.2557 41.8025 179.2176 52 A 3.9996 7.9123 120.4482 55.2131 18.2116 179.1652 53 D 4.3334 7.8446 116.2884 57.4158 40.7230 178.8186 54 V 3.8102 7.6047 118.4974 65.6182 31.6644 178.3053 55 K 4.0061 8.5404 118.4756 59.0599 31.8183 179.1476 56 A 4.0041 7.8903 120.9007 54.7492 18.1848 179.4714 57 V 3.6983 7.4874 116.5904 66.4888 31.2108 176.9764 58 C 3.9115 7.7590 113.2466 58.0203 39.9240 174.1094 59 S 4.5796 7.9208 115.9559 58.1930 64.1934 174.8116 60 Q 4.5777 7.5599 120.5597 55.7332 28.0428 177.2042 61 K 4.2273 8.6935 130.2699 56.7279 33.0132 176.0676 62 K 4.1094 8.7006 130.1120 56.5826 32.5337 176.1898 63 V 4.5566 8.5178 119.9198 59.6993 36.4979 174.9422 64 T 4.3126 8.2510 118.3849 63.0332 69.4160 176.0548 65 C 4.6724 9.1301 122.9879 56.4007 40.9984 174.9513 66 K 3.6688 8.9036 122.5798 59.6768 31.7102 177.8057 67 N 4.5953 8.1298 113.0416 52.7102 37.4670 175.8166 68 G 3.9111 8.2855 107.9248 45.5350 0.0000 174.1078 69 Q 4.2738 8.0877 119.1287 55.9585 29.3802 176.4347 70 T 4.5639 8.2759 107.3113 61.5682 69.4517 173.5686 71 N 4.9117 7.9081 119.1169 53.7836 38.5995 174.9638 72 C 5.4236 7.4396 116.4120 56.6991 42.9764 172.6867 73 Y 5.0931 8.7897 118.6249 56.3616 41.5904 174.3001 74 Q 5.0792 9.3071 125.6013 54.6509 31.2525 174.8107 75 S 4.6025 8.6106 120.4631 58.0687 63.5946 174.6929 76 K 4.1274 9.6214 123.0336 59.1670 32.0666 177.6532 77 S 4.9931 7.6605 112.6222 56.6443 65.3426 174.3273 78 T 4.0195 8.2378 112.1214 62.0001 69.5871 173.6936 79 M 4.9721 9.2976 124.1884 53.3678 36.2632 175.1491 80 R 4.7645 9.6040 121.3117 56.1210 31.3949 175.9099 81 I 5.0651 8.9586 117.3137 59.3469 41.9466 174.2678 82 T 5.1268 9.2205 119.3266 61.9769 72.1067 172.7922 83 D 4.9391 9.4867 126.8185 53.2270 43.0134 174.8235 84 C 5.3921 9.2495 121.7031 55.5227 40.0238 172.9626 85 R 5.2316 8.4366 123.8567 53.7820 32.6899 175.4398 86 E 4.1368 9.3161 126.4529 56.6350 30.1339 177.0591 87 T 4.3306 8.5457 117.6355 60.3035 70.7042 175.8841 88 G 3.6223 8.6566 110.0248 48.9500 0.0000 175.2315 89 S 4.2365 7.8797 112.2753 58.9019 63.2120 174.0570 90 S 4.3153 7.4201 117.0991 57.9237 62.7598 173.4011 91 K 4.3842 8.8740 128.5800 54.9541 34.5712 174.4870 92 Y 4.3863 8.7890 127.8047 57.9810 38.9691 173.9346 93 P 4.0934 0.0000 0.0000 62.6187 32.0904 176.3316 94 N 4.5708 8.4850 120.0697 52.9344 36.9206 172.1609 95 C 4.6431 8.0772 116.7119 56.3098 42.1361 173.1158 96 A 5.1611 8.4229 126.2107 50.3494 22.1623 174.2713 97 Y 5.0290 8.9050 116.8628 56.1535 42.3309 174.9482 98 K 4.4188 9.3540 124.6929 56.1527 34.0945 175.4578 99 T 4.8310 8.5386 123.4302 62.5229 70.0539 174.0985 100 T 4.5748 8.9554 123.7254 61.8695 71.6324 173.0439 101 Q 4.9404 8.7311 125.9963 54.6637 30.1554 175.6176 102 V 4.5770 8.5395 115.8815 59.7202 37.0308 173.8464 103 E 5.5104 8.6216 122.6380 54.0612 31.1314 174.8715 104 K 4.7393 8.2772 124.8503 55.2426 37.6027 174.9870 105 H 4.7930 9.0855 118.6287 55.7866 29.9832 175.0863 106 I 4.8300 8.3195 114.7795 59.2813 40.7781 174.2711 107 I 4.8875 8.1445 124.2055 59.6646 40.0240 175.1617 108 V 4.6545 8.4905 118.9286 59.3711 35.7552 174.6697 109 A 5.1017 8.8975 124.7052 51.3029 20.8942 175.7392 110 C 5.4765 8.5907 116.7473 55.5333 43.0544 173.5275 111 G 3.8764 9.1359 107.0899 47.0631 0.0000 173.7065 112 G 4.0123 9.3790 108.0019 44.4695 0.0000 172.7697 113 K 4.3562 8.0363 118.7241 53.7441 33.6429 174.0497 114 P 4.3941 0.0000 0.0000 61.8603 32.2193 175.8944 115 S 4.3744 8.5412 114.9014 59.4058 62.7957 173.3588 116 V 4.6125 8.4723 119.7936 58.4197 36.2423 173.3693 117 P 4.8834 0.0000 0.0000 63.1757 31.4367 177.1002 118 V 4.5194 8.5265 114.7523 60.6837 34.1825 175.0148 119 H 4.5321 7.8191 117.3064 55.3333 33.1858 172.1725 120 F 4.4594 8.9555 128.4663 57.4067 39.3884 174.3477 121 D 4.5943 8.2727 126.6956 55.6375 42.2245 175.8130 122 A 4.4993 6.7022 119.3628 52.1877 21.4623 174.4494 123 S 5.2144 8.5525 112.6656 56.9393 66.3528 174.6720 124 V 4.0539 8.7017 114.5106 61.8311 32.4064 175.4559 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 K 8.31 4.23 0.00 1.72 1.78 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 2 E 8.36 4.00 0.00 2.13 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 0.00 2.39 2.37 0.00 3 S 8.82 4.49 0.00 4.10 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 4 A 8.62 3.98 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 5 A 7.96 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.95 4.01 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 7 K 8.35 4.06 0.00 2.02 2.10 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.33 7.81 8 F 8.18 4.22 0.00 3.19 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 9 E 8.32 3.99 0.00 2.29 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 2.45 2.61 0.00 10 R 8.00 3.81 0.00 1.77 2.11 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 11 Q 7.78 4.13 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 12 H 7.77 4.61 0.00 1.88 2.79 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.63 4.56 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 14 D 8.08 4.70 0.00 2.52 2.48 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 15 S 8.04 4.41 0.00 3.91 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 16 G 7.98 4.40 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 0.00 17 N 8.14 4.62 0.00 2.68 2.83 0.00 0.00 6.70 7.63 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 18 S 7.62 4.65 0.00 3.84 3.70 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 P 0.00 4.44 0.00 2.23 2.21 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 20 S 7.90 4.39 0.00 3.99 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 21 S 7.76 4.36 0.00 3.96 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 22 S 8.89 4.14 0.00 4.07 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 23 S 7.53 4.24 0.00 4.03 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 24 N 8.63 4.70 0.00 2.93 2.85 0.00 0.00 6.43 7.35 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 25 Y 8.16 4.05 0.00 3.10 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 26 C 8.40 4.16 0.00 3.16 3.11 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 27 N 8.24 4.45 0.00 2.96 2.93 0.00 0.00 7.15 6.74 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 28 L 7.91 3.97 0.00 1.56 1.56 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.92 3.68 0.00 1.03 1.28 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 30 M 8.27 4.10 0.00 1.65 1.87 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.36 0.00 31 C 7.75 4.32 0.00 3.01 3.07 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 32 C 8.23 4.02 0.00 2.91 3.02 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 33 R 8.14 4.30 0.00 1.96 2.03 0.00 3.52 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 34 K 7.88 3.92 0.00 1.97 1.98 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.41 7.81 35 M 8.27 4.60 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 36 T 7.88 4.58 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 1.40 0.00 0.00 37 Q 8.29 4.69 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 G 10.86 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 0.00 0.00 0.00 39 K 6.82 3.64 0.00 1.42 1.51 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.27 7.81 40 C 8.60 4.74 0.00 3.15 3.11 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 41 K 8.65 4.24 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.42 7.81 42 P 0.00 4.70 0.00 2.07 2.11 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 43 V 7.60 4.96 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 0.76 0.00 0.00 0.96 0.00 0.00 44 N 9.22 4.73 0.00 2.63 2.25 0.00 0.00 6.71 7.76 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 45 T 7.79 4.71 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 0.93 0.00 0.00 46 F 9.30 4.71 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 47 V 8.42 4.61 2.15 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 0.87 0.00 0.00 1.10 0.00 0.00 48 H 8.98 4.92 0.00 3.07 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.27 0.00 1.98 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 2.26 0.00 50 S 8.39 4.32 0.00 4.05 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 51 L 8.50 3.98 0.00 1.80 1.72 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.91 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.84 4.33 0.00 2.84 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 54 V 7.60 3.81 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 1.06 0.00 0.00 1.03 0.00 0.00 55 K 8.54 4.01 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.69 7.81 56 A 7.89 4.00 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 57 V 7.49 3.70 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 1.05 0.00 0.00 0.99 0.00 0.00 58 C 7.76 3.91 0.00 2.95 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 59 S 7.92 4.58 0.00 3.88 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 60 Q 7.56 4.58 0.00 2.26 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 61 K 8.69 4.23 0.00 1.82 1.84 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 62 K 8.70 4.11 0.00 1.75 1.61 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.06 7.81 63 V 8.52 4.56 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 0.69 0.00 0.00 0.83 0.00 0.00 64 T 8.25 4.31 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 1.21 0.00 0.00 65 C 9.13 4.67 0.00 3.11 3.16 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 0.00 66 K 8.90 3.67 0.00 1.75 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.71 1.57 7.81 67 N 8.13 4.60 0.00 2.79 2.91 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.29 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.09 4.27 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 70 T 8.28 4.56 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 1.17 0.00 0.00 71 N 7.91 4.91 0.00 3.01 3.10 0.00 0.00 6.07 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 72 C 7.44 5.42 0.00 2.96 2.91 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 0.00 0.00 0.00 73 Y 8.79 5.09 0.00 2.91 2.95 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 74 Q 9.31 5.08 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 75 S 8.61 4.60 0.00 3.93 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 76 K 9.62 4.13 0.00 1.74 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.57 7.81 77 S 7.66 4.99 0.00 3.73 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 78 T 8.24 4.02 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 1.04 0.00 0.00 79 M 9.30 4.97 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 80 R 9.60 4.76 0.00 1.89 1.93 0.00 3.06 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 81 I 8.96 5.07 1.91 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 1.34 0.80 0.99 0.00 0.00 82 T 9.22 5.13 4.47 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 1.39 0.00 0.00 83 D 9.49 4.94 0.00 2.57 2.59 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 0.00 84 C 9.25 5.39 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 85 R 8.44 5.23 0.00 1.75 1.86 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 E 9.32 4.14 0.00 2.05 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 2.13 1.82 0.00 87 T 8.55 4.33 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 1.19 0.00 0.00 88 G 8.66 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 0.00 0.00 0.00 89 S 7.88 4.24 0.00 3.97 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 90 S 7.42 4.32 0.00 3.79 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 91 K 8.87 4.38 0.00 1.77 1.58 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.38 7.81 92 Y 8.79 4.39 0.00 2.92 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 93 P 0.00 4.09 0.00 1.63 0.49 0.00 3.59 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 94 N 8.48 4.57 0.00 2.82 2.76 0.00 0.00 7.08 7.54 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 95 C 8.08 4.64 0.00 3.08 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 96 A 8.42 5.16 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 97 Y 8.91 5.03 0.00 3.00 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 98 K 9.35 4.42 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 T 8.54 4.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 100 T 8.96 4.57 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 1.23 0.00 0.00 101 Q 8.73 4.94 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 102 V 8.54 4.58 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 0.72 0.00 0.00 0.95 0.00 0.00 103 E 8.62 5.51 0.00 1.94 1.83 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 2.17 2.22 0.00 104 K 8.28 4.74 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.50 7.81 105 H 9.09 4.79 0.00 3.18 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.32 4.83 1.54 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 1.07 0.00 0.00 107 I 8.14 4.89 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.84 0.00 0.00 108 V 8.49 4.65 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 0.50 0.00 0.00 0.92 0.00 0.00 109 A 8.90 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.59 5.48 0.00 2.89 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 0.00 111 G 9.14 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.38 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 0.00 113 K 8.04 4.36 0.00 1.66 1.67 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 114 P 0.00 4.39 0.00 2.19 2.01 0.00 3.82 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 115 S 8.54 4.37 0.00 3.86 3.76 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 0.00 116 V 8.47 4.61 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 0.74 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.88 0.00 1.95 1.99 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 118 V 8.53 4.52 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 0.73 0.00 0.00 1.02 0.00 0.00 119 H 7.82 4.53 0.00 3.21 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.96 4.46 0.00 3.04 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 0.00 121 D 8.27 4.59 0.00 2.57 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 0.00 122 A 6.70 4.50 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 0.00 123 S 8.55 5.21 0.00 4.17 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 0.00 124 V 8.70 4.05 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 0.80 0.00 0.00 0.94 0.00 0.00