NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.4389 8.4444 120.3848 52.4127 31.4034 169.1685 1 M 2.8666 8.8015 126.8927 53.5162 33.7173 174.4368 2 S 4.6282 8.6960 120.6273 58.0274 64.1165 173.9831 3 Y 4.2196 9.1828 125.9970 60.4709 37.1681 178.8010 4 A 3.6294 6.9454 120.7795 53.9462 18.4816 178.5146 5 D 4.6090 7.7099 116.3843 55.6920 41.1635 177.2444 6 S 4.7306 8.1683 114.0486 57.9797 63.8507 173.4534 7 S 5.6790 8.1449 115.4520 58.0469 66.9997 172.8217 8 R 4.6483 9.1662 116.9466 55.8837 32.0749 174.4930 9 N 4.3735 8.8491 112.3789 54.1651 35.9812 174.5534 10 A 4.6275 8.1838 119.1262 52.5509 19.2628 178.1156 11 V 4.8787 8.9376 113.8102 59.9898 36.8683 174.3310 12 L 4.8599 8.5356 121.5346 54.7090 43.2007 175.8154 13 T 4.4658 8.7754 115.4921 60.6809 71.7019 172.4786 14 N 3.9483 9.4091 117.7853 54.4915 35.7343 175.5397 15 G 3.6626 8.6699 99.9500 46.6253 0.0000 174.5471 16 G 3.9387 8.5403 105.4198 45.3532 0.0000 175.0668 17 R 4.2483 7.6820 119.4558 56.6918 31.1219 176.1387 18 T 4.9451 7.7707 115.0034 61.3538 71.8479 173.0484 19 L 4.4484 8.6882 129.2063 54.4166 43.6656 175.2805 20 R 5.0976 9.0438 126.1862 54.5932 33.1512 173.8796 21 A 5.0803 9.0476 126.5001 50.7025 23.8710 174.3185 22 E 5.0142 9.1505 119.0539 55.3406 31.3463 175.1997 23 C 5.3690 9.3727 123.3136 57.7073 31.1703 173.5848 24 R 3.9080 8.6530 125.2884 56.0485 30.4473 175.9181 25 N 4.7833 8.9342 123.9281 51.0696 39.6007 175.1976 26 A 4.0453 9.0709 120.3584 54.2090 18.3756 178.1599 27 D 4.4302 8.1228 114.2346 54.4615 41.3479 177.4710 28 G 3.7544 8.2285 107.8668 45.2212 0.0000 173.0528 29 N 4.8143 8.1858 117.2029 51.4254 41.0072 174.2273 30 W 4.8991 8.5671 121.3720 56.2997 30.4653 175.9969 31 V 4.5265 9.0131 124.4081 61.3423 34.1394 174.4203 32 T 4.8571 8.6898 124.6971 63.3418 69.3954 174.0468 33 S 4.8157 9.2391 120.1946 56.5589 66.2246 172.3655 34 E 5.2617 8.7854 123.5640 54.5184 33.2215 175.1283 35 L 4.5924 8.7568 123.8967 53.2608 45.7948 175.0543 36 D 4.6776 8.8175 126.1765 53.8618 40.9515 176.5006 37 L 4.0868 8.8712 128.9706 57.6454 41.9726 179.4360 38 D 4.5968 8.3861 118.4380 56.4523 40.7883 177.9049 39 T 4.2577 7.7883 108.7530 62.9485 69.3892 175.1124 40 I 4.7368 7.4658 112.7103 60.0729 40.3481 174.5155 41 I 4.7064 8.3014 124.6649 59.4998 40.5144 175.0423 42 G 4.5233 9.0918 113.6637 44.3355 0.0000 171.3741 43 N 5.1029 8.7061 118.4224 52.0239 40.2119 174.0540 44 N 4.5435 9.2700 127.6546 52.4697 38.4754 174.1701 45 D 4.1628 9.5610 128.6669 55.0826 39.6725 174.3586 46 G 3.8262 8.7694 104.2161 45.4363 0.0000 173.0617 47 H 4.7997 7.6663 116.3403 53.1612 31.8366 173.2518 48 F 4.6292 8.4240 121.1418 57.8026 39.7914 174.7535 49 Q 4.4584 8.9410 123.3723 53.8046 31.6728 174.3938 50 W 4.3853 8.7734 127.3756 58.1176 29.3829 177.2056 51 G 4.1526 9.5874 113.7539 45.4220 0.0000 173.9121 52 G 4.0390 7.5361 107.6263 44.8801 0.0000 172.6158 53 Q 4.6909 7.9070 115.6678 55.5893 32.9900 174.5812 54 N 4.2638 9.2142 115.7577 54.2172 36.6524 176.9541 55 F 4.2776 8.2976 116.6231 60.1149 38.0039 177.5303 56 T 3.3402 7.4570 111.2354 63.7996 68.5681 176.1761 57 E 4.0196 7.7968 121.2791 58.6702 29.7332 177.1940 58 T 4.8292 8.0389 108.9263 61.2007 70.0156 173.2796 59 A 5.4624 7.9693 122.5463 51.1726 21.9709 176.2102 60 E 4.6544 9.0532 118.6187 54.2438 34.3999 175.1862 61 D 4.4494 8.4606 117.6252 55.6376 38.3766 174.2723 62 I 4.3784 7.6287 118.3612 61.6527 38.3576 177.5334 63 R 4.8571 9.4470 125.3529 54.5002 34.5494 173.9529 64 F 5.5209 8.9272 124.1413 56.7701 42.9696 173.2958 65 H 4.5856 8.4913 124.8954 53.5462 31.8445 172.3116 66 P 3.8877 0.0000 0.0000 64.6893 32.0057 176.5414 67 K 4.4800 7.5355 118.4410 55.1486 33.0643 175.6242 68 E 3.5433 8.4214 121.3380 56.7129 30.8408 177.1915 69 G 4.1146 8.5107 112.6461 44.4803 0.0000 173.9257 70 A 3.8704 8.5146 120.4114 55.0207 18.2343 178.4124 71 A 4.2519 7.9332 115.2054 51.5896 19.5412 176.7484 72 E 3.8592 7.4988 114.5199 56.4826 27.1749 173.8623 73 Q 4.7147 8.1438 118.8387 53.4663 32.8196 175.2706 74 P 4.8381 0.0000 0.0000 62.2941 31.9286 173.6083 75 I 4.9008 8.4733 127.8510 59.9164 39.4187 174.2255 76 L 5.3038 8.8834 129.9866 53.8090 43.7979 175.3698 77 R 5.4509 9.3170 124.5459 54.8959 33.8914 174.4330 78 A 5.1583 8.7353 121.6673 52.1298 23.7518 175.3221 79 R 4.8679 9.0380 119.1643 55.2880 31.7272 175.8503 80 L 5.0675 8.7065 124.7312 52.7739 44.2852 175.8978 81 R 3.7510 8.2137 124.7034 55.8194 30.9223 175.8940 82 D 4.6585 8.6294 126.5277 52.0796 41.5442 177.1665 83 C 4.1151 9.1781 116.4980 62.6802 28.0174 174.9426 84 N 4.5196 8.1752 114.4302 53.3805 38.3946 175.7580 85 G 3.8604 8.1187 107.4203 44.6510 0.0000 173.0500 86 E 4.4209 8.3269 121.7588 55.2540 31.0877 174.9615 87 F 5.0481 8.8576 125.1224 56.6114 40.8059 174.8360 88 H 4.9824 8.9107 119.4334 53.7566 32.4022 172.7379 89 D 4.9135 8.8430 122.8387 54.6552 41.3192 175.8455 90 R 5.0218 9.2532 122.1072 54.5439 34.9414 173.8474 91 D 5.5486 8.7808 118.8408 52.1579 42.7981 175.0347 92 V 4.4565 8.6508 119.6671 60.1619 35.0762 173.3280 93 N 5.0758 8.8985 123.1820 52.8543 39.5794 174.5137 94 L 4.8866 9.4827 126.2629 55.3830 42.1097 178.0321 95 N 4.7249 8.9390 117.2737 54.3520 37.2482 177.0937 96 R 3.9782 7.7808 117.9175 58.6672 30.6414 176.8181 97 I 4.3228 8.0867 120.1374 61.3692 38.2412 175.6289 98 Q 4.8405 9.3254 125.6102 54.4266 31.9403 174.2410 99 N 5.1601 8.7038 119.7248 52.3396 40.2374 174.5505 100 V 4.0337 8.7932 128.3818 61.5620 32.0021 175.1976 101 N 4.2353 9.8106 128.8931 54.6892 37.1374 174.6705 102 G 3.9485 9.0062 102.0649 45.1121 0.0000 173.0539 103 R 4.6747 7.7729 119.3652 53.9004 33.3623 174.4833 104 L 4.6929 8.9487 127.3083 55.0301 42.2454 176.8877 105 V 4.6895 9.0579 116.3619 59.5172 36.5376 174.2116 106 F 5.1129 8.8073 123.8344 56.5854 41.8288 174.8226 107 Q 3.7138 7.8975 123.7838 55.9236 29.4419 175.0709 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 0 H 8.44 4.44 0.00 3.05 3.16 0.00 6.01 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.80 2.87 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 2 S 8.70 4.63 0.00 3.87 3.66 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 3 Y 9.18 4.22 0.00 3.24 3.36 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 4 A 6.95 3.63 0.87 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 5 D 7.71 4.61 0.00 2.76 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 6 S 8.17 4.73 0.00 3.90 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 7 S 8.14 5.68 0.00 4.16 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 8 R 9.17 4.65 0.00 1.72 1.82 0.00 2.30 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.37 0.00 9 N 8.85 4.37 0.00 2.86 2.94 0.00 0.00 6.90 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 10 A 8.18 4.63 1.59 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 0.00 0.00 11 V 8.94 4.88 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 0.86 0.00 0.00 0.97 0.00 0.00 12 L 8.54 4.86 0.00 1.53 1.53 0.96 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.78 4.47 4.24 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 1.19 0.00 0.00 14 N 9.41 3.95 0.00 2.91 2.81 0.00 0.00 6.74 7.83 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 15 G 8.67 3.66 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 0.00 0.00 0.00 16 G 8.54 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.68 4.25 0.00 1.90 1.88 0.00 2.95 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 18 T 7.77 4.95 4.32 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 1.22 0.00 0.00 19 L 8.69 4.45 0.00 1.53 1.36 0.64 0.18 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 20 R 9.04 5.10 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 21 A 9.05 5.08 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 22 E 9.15 5.01 0.00 2.06 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 0.00 2.30 2.31 0.00 23 C 9.37 5.37 0.00 2.89 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 24 R 8.65 3.91 0.00 0.67 1.39 0.00 2.93 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.00 25 N 8.93 4.78 0.00 3.21 2.91 0.00 0.00 6.62 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 26 A 9.07 4.05 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 27 D 8.12 4.43 0.00 2.80 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 28 G 8.23 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 29 N 8.19 4.81 0.00 2.72 2.74 0.00 0.00 7.00 7.97 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 30 W 8.57 4.90 0.00 3.22 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 31 V 9.01 4.53 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 1.04 0.00 0.00 0.95 0.00 0.00 32 T 8.69 4.86 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 1.24 0.00 0.00 33 S 9.24 4.82 0.00 4.02 3.66 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 34 E 8.79 5.26 0.00 1.83 1.77 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 2.18 2.26 0.00 35 L 8.76 4.59 0.00 1.65 1.39 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.82 4.68 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.87 4.09 0.00 2.02 1.81 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.39 4.60 0.00 2.88 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 39 T 7.79 4.26 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 1.23 0.00 0.00 40 I 7.47 4.74 1.50 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 1.34 1.17 1.10 0.00 0.00 41 I 8.30 4.71 1.70 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.66 0.25 0.00 0.00 42 G 9.09 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.71 5.10 0.00 2.72 2.74 0.00 0.00 6.79 7.79 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 44 N 9.27 4.54 0.00 3.03 2.71 0.00 0.00 6.61 8.06 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 45 D 9.56 4.16 0.00 2.75 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 46 G 8.77 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 47 H 7.67 4.80 0.00 3.28 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.42 4.63 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.94 4.46 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 50 W 8.77 4.39 0.00 3.30 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 51 G 9.59 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 0.00 0.00 0.00 52 G 7.54 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 0.00 0.00 0.00 53 Q 7.91 4.69 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.11 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 54 N 9.21 4.26 0.00 2.94 3.07 0.00 0.00 7.01 7.69 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 55 F 8.30 4.28 0.00 3.30 3.38 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 56 T 7.46 3.34 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 0.30 0.00 0.00 57 E 7.80 4.02 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 58 T 8.04 4.83 4.17 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 0.00 0.00 0.00 1.18 0.00 0.00 59 A 7.97 5.46 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 60 E 9.05 4.65 0.00 1.83 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 2.21 2.34 0.00 61 D 8.46 4.45 0.00 2.87 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 62 I 7.63 4.38 1.95 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 1.62 0.58 1.08 0.00 0.00 63 R 9.45 4.86 0.00 1.73 1.82 0.00 3.27 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 64 F 8.93 5.52 0.00 2.88 2.93 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 65 H 8.49 4.59 0.00 3.10 2.91 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.89 0.00 2.22 2.33 0.00 3.53 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 67 K 7.54 4.48 0.00 1.78 1.70 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 68 E 8.42 3.54 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 69 G 8.51 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.51 3.87 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 71 A 7.93 4.25 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 72 E 7.50 3.86 0.00 2.10 1.95 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 2.22 2.19 0.00 73 Q 8.14 4.71 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 74 P 0.00 4.84 0.00 2.59 2.46 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.00 0.00 75 I 8.47 4.90 1.86 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 1.30 1.38 0.94 0.00 0.00 76 L 8.88 5.30 0.00 1.76 1.27 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 R 9.32 5.45 0.00 1.81 1.87 0.00 3.27 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 78 A 8.74 5.16 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 79 R 9.04 4.87 0.00 1.95 2.04 0.00 3.09 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 80 L 8.71 5.07 0.00 1.48 1.34 -0.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.21 3.75 0.00 0.94 1.45 0.00 3.06 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 1.22 0.50 0.00 82 D 8.63 4.66 0.00 3.07 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 83 C 9.18 4.12 0.00 2.98 3.01 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 84 N 8.18 4.52 0.00 2.80 2.83 0.00 0.00 7.17 7.65 0.00 0.00 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 G 8.12 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 0.00 0.00 0.00 86 E 8.33 4.42 0.00 2.05 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 0.00 2.05 2.25 0.00 87 F 8.86 5.05 0.00 2.89 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 88 H 8.91 4.98 0.00 2.94 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.84 4.91 0.00 2.60 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 90 R 9.25 5.02 0.00 1.41 1.75 0.00 3.17 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 91 D 8.78 5.55 0.00 2.67 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 92 V 8.65 4.46 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 -0.64 0.00 0.00 0.66 0.00 0.00 93 N 8.90 5.08 0.00 2.83 2.89 0.00 0.00 7.14 7.78 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 94 L 9.48 4.89 0.00 2.10 1.98 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.94 4.72 0.00 2.95 3.16 0.00 0.00 6.98 8.19 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 96 R 7.78 3.98 0.00 0.67 1.41 0.00 2.21 0.00 0.00 2.68 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.00 97 I 8.09 4.32 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.92 0.00 0.00 98 Q 9.33 4.84 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 99 N 8.70 5.16 0.00 2.84 2.79 0.00 0.00 6.81 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 0.00 100 V 8.79 4.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 101 N 9.81 4.24 0.00 2.79 2.79 0.00 0.00 7.39 7.98 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 0.00 102 G 9.01 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 0.00 103 R 7.77 4.67 0.00 1.83 1.92 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 104 L 8.95 4.69 0.00 1.51 1.53 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.06 4.69 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 0.69 0.00 0.00 0.98 0.00 0.00 106 F 8.81 5.11 0.00 3.06 3.01 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 0.00 107 Q 7.90 3.71 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00