NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2730 8.1727 120.1388 56.8158 34.8233 173.7949 2 V 4.6482 8.0817 121.5332 60.8049 32.7244 174.6150 3 F 4.4571 10.1892 129.2676 57.3391 40.1997 175.1891 4 E 4.2399 8.9589 121.4403 56.1451 30.4921 178.0954 5 R 3.3288 8.8164 121.6709 60.0642 30.2005 179.6325 6 C 4.4019 8.0726 115.0429 59.1717 38.1950 175.5628 7 E 3.8846 8.0481 121.1587 59.1084 29.3563 178.3735 8 L 3.6894 7.8767 120.1455 57.9023 42.1267 178.5561 9 A 3.9660 7.6134 120.4895 55.4448 18.2079 179.9167 10 R 3.9025 7.9763 116.3997 59.5367 30.1228 179.4453 11 T 3.8483 7.8933 115.5604 66.7308 68.5240 176.7455 12 L 3.8784 8.2689 121.2275 57.4850 41.5764 179.6126 13 K 3.9249 8.0962 119.6773 59.5232 31.9862 178.9122 14 R 3.9513 8.0703 118.0105 58.8840 29.9428 177.3814 15 L 4.4823 7.4732 116.6480 53.9933 41.7390 176.8753 16 G 3.8766 7.8578 106.5555 46.7385 0.0000 175.2070 17 M 3.8773 7.9346 121.4979 56.6052 32.2979 175.7125 18 D 4.3563 7.9970 117.8174 56.0070 41.0193 175.8947 19 G 3.9281 9.3445 115.9110 45.2705 0.0000 171.3343 20 Y 4.1564 8.1546 121.8821 58.6739 38.7819 176.2469 21 R 3.3313 9.0244 126.5353 57.2087 27.6531 177.6441 22 G 3.8772 8.4412 106.5229 45.4225 0.0000 174.4863 23 I 3.8733 7.4613 122.2609 60.1227 37.6624 175.9822 24 S 4.6664 8.3213 120.9501 57.8450 65.0444 174.7242 25 L 4.2195 8.7628 124.3453 58.4982 41.7746 179.3272 26 A 4.1291 8.0833 120.2632 55.2624 18.3921 179.2399 27 N 4.4025 7.8471 114.4803 56.2474 38.6359 177.7473 28 W 4.1834 7.9585 120.0014 59.9724 29.0852 178.5199 29 M 4.1954 8.5776 119.0362 58.4351 31.4074 177.8735 30 C 3.1113 8.0949 118.8169 59.3415 44.4123 175.7142 31 L 4.0140 8.0642 121.1053 58.8565 40.0370 179.0879 32 A 3.9910 8.3043 121.6825 54.5350 18.2656 179.6391 33 K 2.9959 8.1970 118.3902 59.3329 32.0792 179.2937 34 W 4.2423 7.7736 117.6477 59.2606 28.9727 178.1904 35 E 4.4110 8.3740 118.5997 58.4464 29.4489 177.5895 36 S 4.5219 7.7437 109.1942 56.5826 64.6156 174.5339 37 G 3.5474 8.2214 108.8349 46.8812 0.0000 173.5066 38 Y 3.6626 7.6539 113.6020 58.5484 35.1548 168.4410 39 N 5.3093 7.6543 119.6104 52.0092 39.8141 175.9071 40 T 4.1013 8.9710 117.2101 64.2482 69.1242 176.1639 41 R 4.2613 8.2023 119.3761 56.7211 30.8148 176.4719 42 A 4.3016 7.6587 121.0044 52.4087 19.3080 176.7596 43 T 4.9957 8.3957 112.0073 60.0681 72.0204 173.1542 44 N 5.0783 8.8623 121.5424 51.4260 43.3587 173.0566 45 Y 4.2556 8.6777 124.4181 57.6496 40.6835 174.0426 46 N 4.4604 8.1768 124.8054 51.6436 38.8572 175.5216 47 A 4.2246 8.8911 128.2642 54.8345 18.5132 178.3114 48 G 4.0050 7.9873 100.7247 45.4898 0.0000 173.1834 49 D 4.6569 7.7085 117.0946 52.9100 42.4205 175.7257 50 R 4.1543 8.1948 115.2716 55.9898 27.6983 173.7522 51 S 4.6234 6.5031 110.6063 58.1179 66.8781 174.2777 52 T 4.8994 8.7038 114.6838 62.1875 72.7593 173.0537 53 D 5.3889 9.1714 124.7806 53.2339 43.3659 175.1315 54 Y 4.8839 8.8724 119.9772 57.4348 41.8560 177.4061 55 G 4.3110 9.2922 112.4814 45.6733 0.0000 173.2693 56 I 3.9394 8.3797 116.9709 63.1228 37.6976 177.2695 57 F 4.8071 8.0280 114.9223 56.4613 39.6571 175.7328 58 Q 3.5068 8.0641 118.9519 57.0931 26.5475 173.9948 59 I 4.2496 8.1746 119.3111 60.7253 39.4539 176.7590 60 N 5.4920 9.3858 126.0533 53.0470 39.4960 175.4535 61 S 4.9436 9.2154 121.6231 59.9289 63.0101 175.3023 62 R 3.8738 8.6620 122.1380 58.2961 30.5512 177.4192 63 Y 4.1752 7.8131 114.3027 57.0539 40.6536 176.7304 64 W 5.0801 8.2964 118.8564 57.2575 32.4637 173.5436 65 C 5.5847 8.1528 112.2621 53.5383 46.4867 172.6230 66 N 5.1475 9.0750 120.3567 52.4382 39.6744 174.8893 67 D 4.6345 8.9042 124.8200 52.5319 40.2583 176.9249 68 G 3.9807 9.1072 107.8685 46.1615 0.0000 175.1232 69 K 4.5277 8.3883 116.0534 56.9436 33.2769 175.2980 70 T 4.5655 7.8079 116.0999 61.6056 70.3287 172.5923 71 P 4.2076 0.0000 0.0000 63.6244 32.2612 176.6487 72 G 3.8326 8.5335 111.2109 46.4431 0.0000 172.9454 73 A 4.4483 7.5432 119.0798 51.3794 20.4108 177.8975 74 V 3.9413 8.0582 112.7997 61.3481 33.8709 176.1929 75 N 4.1003 7.9166 115.2801 54.4271 36.2236 175.1658 76 A 4.0663 8.2157 121.5385 54.8694 18.9833 178.4542 77 C 4.6095 8.3900 111.8578 57.1994 40.9071 173.1779 78 H 4.0765 7.9208 115.9737 57.0785 26.5214 174.4924 79 L 4.8537 7.9537 116.9340 52.7597 45.3796 176.2798 80 S 4.7371 8.3479 116.0329 57.6441 63.4311 175.8168 81 C 4.0312 8.6997 125.6918 60.0657 40.7921 176.5988 82 S 3.9233 7.9621 115.0615 61.1446 62.3001 176.1138 83 A 4.0780 8.0515 123.5199 54.0986 18.3643 177.8246 84 L 4.5356 7.7129 116.7270 54.7637 41.7958 177.4635 85 L 5.0336 7.9958 117.3578 54.4058 42.3030 176.4030 86 Q 4.5459 7.7488 116.6973 54.7461 30.1743 175.5549 87 D 4.4067 8.6442 119.2345 57.2047 41.0574 176.5910 88 N 4.6292 8.0515 118.0585 52.9939 39.0419 174.7615 89 I 4.1998 8.4434 118.9949 61.0399 38.2410 176.8589 90 A 3.9390 8.3003 124.5911 56.0603 18.1605 179.8470 91 D 4.2953 8.0827 116.3135 57.3076 40.9085 178.6316 92 A 4.0813 7.9810 120.8991 55.2104 18.3796 179.7150 93 V 3.2049 8.1550 116.7912 65.8927 31.5798 178.0906 94 A 3.7831 7.7378 120.1701 55.2420 18.1231 178.8235 95 C 4.1247 8.2464 116.7371 59.7602 38.7553 175.6905 96 A 3.7486 8.0423 122.5631 54.8789 17.5562 179.8047 97 K 3.6290 7.6942 116.8277 59.3372 32.3975 179.1330 98 R 4.0087 7.8198 119.0345 59.2920 29.9818 178.5898 99 V 2.4742 7.4369 118.1439 65.8266 31.2437 178.1940 100 V 3.9326 7.5315 108.8894 63.1221 31.4944 177.7919 101 R 4.2577 7.6459 116.9164 56.6206 30.6786 176.2421 102 D 4.7888 7.6027 119.6290 52.5679 42.1311 175.5105 103 P 4.2661 0.0000 0.0000 65.9412 31.6239 178.3972 104 Q 4.0739 8.2141 115.5325 57.0129 29.8121 177.4096 105 G 3.7459 7.7237 107.1165 46.4578 0.0000 177.2581 106 I 3.8529 8.0641 124.3622 63.2178 37.7743 177.1376 107 R 4.3541 7.5965 116.8474 57.5213 29.7975 177.1989 108 A 4.0892 7.7230 121.0015 53.1431 18.7022 177.4408 109 W 4.7296 7.9991 116.9959 54.5112 30.2779 176.7220 110 V 3.7444 8.6428 124.2074 65.9188 30.9353 177.5645 111 A 4.0565 8.2622 120.2203 54.7503 18.1795 179.2529 112 W 3.9794 8.4430 127.0404 60.6294 30.5680 178.5945 113 R 3.6009 8.1424 116.8006 58.9565 29.6701 178.0470 114 N 4.4279 8.0607 115.1853 54.7373 38.8675 176.7013 115 R 4.0811 7.5167 116.7296 55.6650 32.0177 175.7536 116 C 4.5674 7.2661 113.8143 57.8577 42.4793 174.6027 117 Q 3.3256 6.7876 120.3549 56.8605 28.7552 175.3545 118 N 4.2158 8.6431 121.4193 54.1996 36.0380 174.0412 119 R 4.6488 7.4892 113.7184 54.1969 34.4820 174.5735 120 D 4.5344 8.5844 119.6987 54.5583 41.9339 176.3694 121 V 4.8605 8.3246 117.0475 60.8456 33.5879 177.4812 122 R 4.0218 8.4130 121.1884 59.3987 29.6660 178.3571 123 Q 3.9527 8.1766 115.7915 59.8751 28.1321 178.4547 124 Y 4.2758 7.6627 117.1250 59.9057 38.0647 176.9449 125 V 4.3836 7.7486 110.7898 60.7411 32.6174 175.4538 126 Q 4.0363 8.0102 120.0922 57.3496 28.8449 176.7872 127 G 3.9290 8.8604 109.7896 46.2864 0.0000 174.6683 128 C 4.4163 8.0720 117.1957 56.4841 40.7739 175.1195 129 G 3.7846 8.1705 106.8161 46.3139 0.0000 174.1012 130 V 3.9706 7.1747 115.5342 61.1146 31.7359 175.8827 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 8.17 4.27 0.00 1.66 2.16 0.00 1.15 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.16 7.81 2 V 8.08 4.65 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 0.93 0.00 0.00 0.96 0.00 0.00 3 F 10.19 4.46 0.00 2.82 2.86 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 4 E 8.96 4.24 0.00 1.94 1.86 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 2.30 2.39 0.00 5 R 8.82 3.33 0.00 1.96 1.94 0.00 3.43 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 6 C 8.07 4.40 0.00 3.00 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 7 E 8.05 3.88 0.00 2.05 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 0.00 2.58 2.40 0.00 8 L 7.88 3.69 0.00 1.49 1.35 -0.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.61 3.97 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 10 R 7.98 3.90 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 11 T 7.89 3.85 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 12 L 8.27 3.88 0.00 1.71 1.59 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.10 3.92 0.00 1.93 1.93 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 R 8.07 3.95 0.00 2.00 2.07 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.47 4.48 0.00 1.55 1.54 0.85 0.91 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 16 G 7.86 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 17 M 7.93 3.88 0.00 1.30 1.98 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 18 D 8.00 4.36 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.34 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 20 Y 8.15 4.16 0.00 3.33 3.13 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 21 R 9.02 3.33 0.00 1.95 1.87 0.00 3.07 0.00 0.00 2.65 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.47 0.00 22 G 8.44 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 23 I 7.46 3.87 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.31 -0.37 0.00 0.00 24 S 8.32 4.67 0.00 4.10 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 25 L 8.76 4.22 0.00 2.09 1.81 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.08 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.40 0.00 2.87 2.72 0.00 0.00 7.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.96 4.18 0.00 3.56 3.13 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 29 M 8.58 4.20 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.09 3.11 0.00 2.50 3.13 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 31 L 8.06 4.01 0.00 2.03 1.99 0.75 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 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 33 K 8.20 3.00 0.00 1.69 1.55 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 0.71 7.81 34 W 7.77 4.24 0.00 3.46 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 35 E 8.37 4.41 0.00 2.10 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 0.00 2.64 2.65 0.00 36 S 7.74 4.52 0.00 4.10 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 0.00 37 G 8.22 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.65 3.66 0.00 3.24 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 39 N 7.65 5.31 0.00 2.77 2.84 0.00 0.00 7.00 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 40 T 8.97 4.10 4.43 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 1.55 0.00 0.00 41 R 8.20 4.26 0.00 1.88 2.06 0.00 3.48 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 42 A 7.66 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.40 5.00 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 1.36 0.00 0.00 44 N 8.86 5.08 0.00 2.88 2.71 0.00 0.00 6.37 7.09 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 45 Y 8.68 4.26 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.18 4.46 0.00 2.41 2.63 0.00 0.00 6.55 8.03 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 47 A 8.89 4.22 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 48 G 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.66 0.00 2.58 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 50 R 8.19 4.15 0.00 1.92 1.96 0.00 3.34 0.00 0.00 3.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 51 S 6.50 4.62 0.00 3.84 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 52 T 8.70 4.90 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 0.71 0.00 0.00 53 D 9.17 5.39 0.00 2.76 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 Y 8.87 4.88 0.00 2.98 2.86 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 55 G 9.29 4.31 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 0.00 56 I 8.38 3.94 1.69 0.00 0.00 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 0.94 1.73 0.15 0.00 0.00 57 F 8.03 4.81 0.00 3.30 3.39 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 58 Q 8.06 3.51 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.81 0.00 59 I 8.17 4.25 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.00 0.00 0.00 60 N 9.39 5.49 0.00 3.03 3.09 0.00 0.00 7.44 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 61 S 9.22 4.94 0.00 4.00 4.29 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 62 R 8.66 3.87 0.00 1.59 1.72 0.00 3.01 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 0.00 63 Y 7.81 4.18 0.00 1.71 1.73 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 64 W 8.30 5.08 0.00 3.39 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 65 C 8.15 5.58 0.00 3.11 3.20 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 66 N 9.07 5.15 0.00 2.82 2.71 0.00 0.00 6.99 8.63 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 67 D 8.90 4.63 0.00 2.79 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 68 G 9.11 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 69 K 8.39 4.53 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.50 7.81 70 T 7.81 4.57 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 1.20 0.00 0.00 71 P 0.00 4.21 0.00 2.01 1.97 0.00 3.99 0.00 0.00 3.84 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 72 G 8.53 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 73 A 7.54 4.45 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 74 V 8.06 3.94 1.96 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 0.61 0.00 0.00 0.82 0.00 0.00 75 N 7.92 4.10 0.00 2.84 2.79 0.00 0.00 7.09 7.81 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 76 A 8.22 4.07 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 77 C 8.39 4.61 0.00 3.43 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 78 H 7.92 4.08 0.00 3.32 3.41 0.00 5.79 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.95 4.85 0.00 1.71 1.52 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.74 0.00 3.83 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 81 C 8.70 4.03 0.00 2.36 1.93 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 82 S 7.96 3.92 0.00 4.04 4.10 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 83 A 8.05 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 84 L 7.71 4.54 0.00 1.91 1.78 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.00 5.03 0.00 1.79 1.71 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.75 4.55 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.08 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 87 D 8.64 4.41 0.00 2.67 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 88 N 8.05 4.63 0.00 2.71 2.76 0.00 0.00 6.96 7.94 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 89 I 8.44 4.20 1.82 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.95 0.00 0.00 90 A 8.30 3.94 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 91 D 8.08 4.30 0.00 2.72 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 92 A 7.98 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.15 3.20 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 0.77 0.00 0.00 0.87 0.00 0.00 94 A 7.74 3.78 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 95 C 8.25 4.12 0.00 3.10 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 96 A 8.04 3.75 0.70 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 0.00 0.00 97 K 7.69 3.63 0.00 1.59 1.43 0.00 1.28 0.00 0.00 0.77 0.00 0.00 2.28 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.92 7.81 98 R 7.82 4.01 0.00 1.90 1.91 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 99 V 7.44 2.47 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 0.04 0.00 0.00 -0.47 0.00 0.00 100 V 7.53 3.93 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 1.17 0.00 0.00 1.41 0.00 0.00 101 R 7.65 4.26 0.00 2.07 2.04 0.00 3.22 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.10 0.00 102 D 7.60 4.79 0.00 3.12 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.27 0.00 2.03 2.13 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 104 Q 8.21 4.07 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 105 G 7.72 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 0.00 106 I 8.06 3.85 1.24 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 -0.30 -0.12 -0.12 0.00 0.00 107 R 7.60 4.35 0.00 2.12 2.03 0.00 3.28 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 108 A 7.72 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.00 4.73 0.00 3.46 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 0.00 110 V 8.64 3.74 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.26 4.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.44 3.98 0.00 3.42 3.48 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 0.00 113 R 8.14 3.60 0.00 1.97 1.98 0.00 3.59 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 114 N 8.06 4.43 0.00 2.54 2.70 0.00 0.00 6.86 7.22 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 0.00 115 R 7.52 4.08 0.00 1.25 0.68 0.00 2.21 0.00 0.00 2.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.87 0.00 116 C 7.27 4.57 0.00 1.97 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 0.00 117 Q 6.79 3.33 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 118 N 8.64 4.22 0.00 2.78 2.81 0.00 0.00 6.82 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 0.00 119 R 7.49 4.65 0.00 1.73 1.74 0.00 2.95 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 120 D 8.58 4.53 0.00 2.63 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 0.00 121 V 8.32 4.86 2.45 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 0.95 0.00 0.00 1.04 0.00 0.00 122 R 8.41 4.02 0.00 1.87 2.01 0.00 3.17 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 123 Q 8.18 3.95 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.10 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 124 Y 7.66 4.28 0.00 3.25 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 0.00 125 V 7.75 4.38 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 1.11 0.00 0.00 1.07 0.00 0.00 126 Q 8.01 4.04 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 127 G 8.86 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 0.00 128 C 8.07 4.42 0.00 2.96 3.13 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 0.00 129 G 8.17 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 0.00 0.00 0.00 130 V 7.17 3.97 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 0.70 0.00 0.00 0.96 0.00 0.00