NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2223 8.3144 120.1352 56.3565 33.3751 175.7899 2 E 4.1125 8.4337 123.2936 53.5360 28.3967 174.1553 3 T 4.1643 8.3538 116.5431 60.7630 71.8138 179.1094 4 A 3.1376 7.8397 120.5784 53.0445 21.1845 178.8938 5 A 4.2881 8.3920 121.9035 53.6299 19.2051 179.8620 6 A 4.0098 8.2007 119.3660 55.0552 18.3414 179.8400 7 K 3.8910 8.0482 117.8316 59.4130 32.3391 178.3825 8 F 4.0536 8.4920 121.2103 61.5305 39.2787 176.7207 9 E 4.0040 8.5088 117.8994 59.6502 29.1164 179.1586 10 R 3.8580 7.9641 117.0959 59.9463 30.2034 178.2175 11 Q 3.9170 8.0910 116.6982 58.2497 28.8459 176.7060 12 H 4.7347 7.7638 114.6497 56.4076 30.6848 174.3655 13 M 4.7372 7.7205 118.6693 55.4249 32.2388 176.2352 14 D 4.7864 8.9069 125.3433 53.4381 42.4966 177.7082 15 S 4.0992 8.6405 116.1749 61.5046 62.4803 175.2828 16 S 4.2417 8.2224 113.8613 60.3396 62.7045 174.3635 17 T 4.5781 7.9082 111.0677 59.5662 70.1134 174.5935 18 S 4.2210 8.6933 121.5894 60.4525 63.3560 173.8471 19 A 4.0484 6.9914 119.8465 50.5546 21.4001 176.3403 20 A 2.9246 8.2671 124.4571 51.9490 16.4529 178.8216 21 S 4.3510 7.9570 115.0879 60.3196 63.7634 174.9982 22 S 4.7008 7.7381 114.7045 56.2941 65.5292 174.6536 23 S 4.3491 8.8505 120.6264 60.3685 63.0060 174.9833 24 N 5.2683 8.3142 118.0263 51.5537 37.9551 175.5612 25 Y 4.1172 8.4094 121.7897 62.0575 38.7284 177.5257 26 C 4.2506 8.5196 117.0475 60.0822 39.5809 175.7790 27 N 4.5856 8.0469 117.6030 56.8131 38.1923 177.4473 28 Q 3.9949 7.8649 118.4609 59.0112 28.5651 178.0320 29 M 3.6366 7.4802 118.8200 58.8718 31.9035 177.8852 30 M 4.1565 8.1530 117.8783 58.5482 32.1904 178.8183 31 K 4.7058 8.0909 119.4896 59.1693 32.1342 179.6719 32 S 4.1972 7.9389 112.3867 61.0005 63.0353 175.1272 33 R 4.3202 7.5753 120.3486 55.8709 30.5560 178.1253 34 N 4.4083 8.1622 116.9787 54.1650 39.3967 175.9773 35 L 3.9970 7.7938 117.1925 57.9435 41.5199 178.0786 36 T 5.4653 7.6407 105.7859 60.4777 69.0211 175.9508 37 K 4.2856 8.0302 125.3212 59.3019 32.3793 176.4519 38 D 4.2799 7.5763 115.8253 54.8083 43.1159 176.1135 39 R 4.4981 7.2832 114.1557 54.0099 32.1813 175.7015 40 C 4.8819 8.6563 117.1993 55.9995 39.7736 173.6925 41 K 4.1606 8.6693 127.1429 55.7786 32.4853 174.4402 42 P 4.6670 0.0000 0.0000 65.3274 32.1848 176.6672 43 V 5.0161 7.5524 116.2098 60.3488 34.4605 173.5832 44 N 4.8178 9.0186 121.2136 53.1295 43.0671 172.7842 45 T 4.8330 7.8491 116.9283 61.7195 72.4568 173.4778 46 F 4.8402 9.1617 125.1754 56.2899 41.6957 175.2724 47 V 4.5156 9.0641 121.6495 60.8935 34.0752 175.4827 48 H 4.8992 8.9068 129.7032 56.4272 27.7026 175.0373 49 E 4.8227 7.9832 115.8464 53.5374 33.5654 176.7601 50 S 4.4277 8.4422 115.1097 58.0697 65.1762 174.9648 51 L 4.0335 8.5313 123.8160 58.2606 41.9044 178.7668 52 A 4.1129 8.1272 120.2330 55.6607 18.0307 179.1590 53 D 4.3430 7.8412 115.5968 57.5092 41.1817 178.8371 54 V 3.8939 7.5584 118.1892 65.4890 31.7373 177.9031 55 Q 3.9451 8.6756 118.1636 59.0027 28.1138 178.8104 56 A 4.0891 7.9458 121.1129 54.5960 18.3206 179.7090 57 V 3.4658 7.8125 117.3010 65.9696 31.4312 177.3344 58 C 4.1422 7.9585 114.9324 58.5949 40.0888 174.0946 59 S 4.4204 7.2727 116.3507 58.2966 62.8334 174.6249 60 Q 4.4869 7.3881 118.2450 55.8213 29.5073 175.5802 61 K 4.5672 8.1475 117.4018 54.6217 35.6737 174.7834 62 N 5.0831 9.0035 126.6077 53.6723 39.7914 174.1383 63 V 4.5975 8.5539 117.9634 59.6388 37.0065 173.9975 64 A 4.5639 8.2659 124.3841 50.8739 20.0728 178.3155 65 C 4.4436 8.9885 120.8825 56.3072 40.9355 175.0202 66 K 3.7920 8.5395 121.3450 60.0284 31.9229 178.0401 67 N 4.4063 7.9348 115.3166 53.3829 37.7453 175.3021 68 G 3.9492 8.0580 105.8402 45.4898 0.0000 174.4409 69 Q 4.0964 8.7563 121.0805 56.0244 29.0980 177.0846 70 T 4.1467 8.4299 111.2666 62.8162 69.4391 174.2396 71 N 4.7826 7.7101 120.4399 53.3608 38.2915 174.8559 72 C 5.3162 7.4559 115.8073 56.5281 42.6984 173.0928 73 Y 5.2924 8.6225 118.0018 56.4438 42.4251 173.8621 74 Q 5.8611 9.4503 124.3269 53.4313 31.7774 174.8086 75 S 4.7094 8.5558 120.7469 58.2768 63.5833 174.2355 76 Y 4.3211 9.2722 120.8390 60.0816 37.9923 175.9152 77 S 5.0547 7.8059 113.6639 56.0484 65.0656 173.8141 78 T 4.0138 8.3701 115.4915 62.1305 69.4292 173.3050 79 M 4.8218 8.9375 123.8680 53.3291 36.0357 175.2196 80 S 4.5539 8.6214 116.1202 58.3172 63.3021 172.8193 81 I 4.9853 9.1682 121.6581 59.3602 40.9346 174.9350 82 T 5.6562 9.1736 121.6789 60.8902 70.8630 172.4006 83 D 4.7312 8.6237 127.1853 54.1400 42.8937 175.5001 84 C 5.3111 9.5343 124.0707 55.3718 40.6495 172.3675 85 R 5.2476 8.8865 125.0951 53.7880 32.5338 174.6576 86 E 3.9987 9.0074 125.4577 56.7508 29.9374 176.2074 87 T 4.4484 8.3682 117.9667 60.3238 71.3920 173.4150 88 G 4.0091 9.5660 112.7876 46.2815 0.0000 171.1116 89 S 3.5173 7.4426 120.4586 57.2758 61.1634 170.7102 90 S 4.2433 8.1717 120.0009 58.1335 61.8401 173.9310 91 K 4.5963 8.1210 126.1134 54.7974 34.1370 175.2761 92 Y 4.5285 8.4776 123.4686 56.6034 39.4819 173.2131 93 P 4.1274 0.0000 0.0000 62.4375 32.1654 176.3290 94 N 4.6902 7.3845 117.6908 52.0108 36.0199 174.8720 95 C 4.2423 7.9544 115.8253 57.7297 41.6896 173.4750 96 A 4.7380 8.3081 126.3319 50.4683 20.6927 174.4854 97 Y 4.8803 8.7077 119.0571 56.3847 41.8417 175.1072 98 K 4.6228 9.3657 123.6036 55.2548 34.4037 174.9449 99 T 5.1817 8.1310 123.5654 62.2465 70.5792 174.0344 100 T 4.5556 8.9655 122.9314 61.7909 71.5978 172.7851 101 Q 4.8510 8.8193 128.3054 54.7471 30.0286 174.4142 102 A 4.7334 9.2559 128.2235 50.4206 23.2491 174.5022 103 N 5.4011 8.8836 117.9297 51.4483 39.2563 174.0451 104 K 4.8137 8.7964 122.2089 54.3986 37.1512 175.3810 105 H 4.9574 8.8626 119.0066 55.7316 30.3001 174.3834 106 I 4.9744 8.2023 113.5322 59.2594 40.9585 174.5797 107 I 5.2780 8.4391 125.6260 59.3467 38.9950 174.7567 108 V 4.7065 8.1592 120.5653 59.3597 34.4663 175.1275 109 A 4.8448 9.1084 127.6615 51.5377 19.4735 175.6436 110 C 5.3178 8.3752 120.1005 55.5761 44.4322 173.3468 111 E 3.6736 8.3074 118.5172 56.3247 33.1434 174.6986 112 G 3.9814 9.7683 105.0552 44.4570 0.0000 172.1089 113 N 4.7813 8.1085 117.4197 51.4308 40.5582 173.0003 114 P 4.4078 0.0000 0.0000 62.1351 32.1132 175.7793 115 Y 4.3719 8.5512 122.4519 58.3492 39.1921 175.5640 116 V 4.5851 8.4555 120.2562 58.3035 36.1266 173.4910 117 P 4.3388 0.0000 0.0000 63.7203 31.1486 176.8174 118 V 4.0702 8.7202 118.0797 62.2696 33.6507 176.1579 119 H 5.2888 7.9021 115.5370 54.0691 33.2336 172.2923 120 F 4.5839 9.1494 123.7333 57.3370 40.3716 172.8402 121 D 4.8502 7.9332 121.5612 54.2224 43.1762 174.9635 122 A 4.7714 7.0313 117.3971 50.1705 23.3680 174.1937 123 S 5.3292 8.9119 117.4464 56.8185 64.8211 174.7362 124 V 4.0988 9.0310 124.3735 61.7559 30.8938 175.6380 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 4.22 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.43 4.11 0.00 2.01 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 2.27 2.38 0.00 3 T 8.35 4.16 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 1.27 0.00 0.00 4 A 7.84 3.14 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 5 A 8.39 4.29 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 6 A 8.20 4.01 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 7 K 8.05 3.89 0.00 2.13 2.07 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.52 7.81 8 F 8.49 4.05 0.00 3.31 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 9 E 8.51 4.00 0.00 2.28 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 2.57 2.67 0.00 10 R 7.96 3.86 0.00 2.10 2.15 0.00 3.39 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 11 Q 8.09 3.92 0.00 2.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 12 H 7.76 4.73 0.00 2.05 2.69 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.72 4.74 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 14 D 8.91 4.79 0.00 2.42 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 15 S 8.64 4.10 0.00 3.96 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 16 S 8.22 4.24 0.00 4.01 3.99 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 0.00 0.00 0.00 17 T 7.91 4.58 4.36 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 1.27 0.00 0.00 18 S 8.69 4.22 0.00 3.83 3.92 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 19 A 6.99 4.05 1.05 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 0.00 0.00 0.00 0.00 0.00 20 A 8.27 2.92 1.05 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 0.00 0.00 0.00 0.00 0.00 21 S 7.96 4.35 0.00 3.98 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 22 S 7.74 4.70 0.00 3.92 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 23 S 8.85 4.35 0.00 4.08 4.14 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 24 N 8.31 5.27 0.00 2.99 3.06 0.00 0.00 6.88 7.20 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 25 Y 8.41 4.12 0.00 3.17 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 26 C 8.52 4.25 0.00 3.17 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 27 N 8.05 4.59 0.00 2.97 2.99 0.00 0.00 7.07 9.00 0.00 0.00 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 Q 7.86 3.99 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 29 M 7.48 3.64 0.00 1.45 1.26 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.06 0.00 30 M 8.15 4.16 0.00 1.68 2.05 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.49 0.00 31 K 8.09 4.71 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.51 7.81 32 S 7.94 4.20 0.00 3.94 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 33 R 7.58 4.32 0.00 1.97 2.21 0.00 3.30 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 34 N 8.16 4.41 0.00 2.92 2.90 0.00 0.00 7.23 7.67 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 35 L 7.79 4.00 0.00 1.89 1.65 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.64 5.47 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 1.32 0.00 0.00 37 K 8.03 4.29 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.52 7.81 38 D 7.58 4.28 0.00 2.67 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 39 R 7.28 4.50 0.00 1.87 1.88 0.00 3.08 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 40 C 8.66 4.88 0.00 3.14 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 41 K 8.67 4.16 0.00 1.84 1.75 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.47 7.81 42 P 0.00 4.67 0.00 2.13 2.11 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.55 5.02 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 0.70 0.00 0.00 0.96 0.00 0.00 44 N 9.02 4.82 0.00 2.63 2.27 0.00 0.00 5.64 6.78 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 45 T 7.85 4.83 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 0.64 0.00 0.00 46 F 9.16 4.84 0.00 2.96 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 47 V 9.06 4.52 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 1.19 0.00 0.00 0.50 0.00 0.00 48 H 8.91 4.90 0.00 3.14 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.98 4.82 0.00 1.99 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 2.27 2.28 0.00 50 S 8.44 4.43 0.00 4.08 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 51 L 8.53 4.03 0.00 1.87 1.76 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.13 4.11 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 53 D 7.84 4.34 0.00 2.92 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 54 V 7.56 3.89 2.25 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 1.05 0.00 0.00 1.11 0.00 0.00 55 Q 8.68 3.95 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 56 A 7.95 4.09 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 57 V 7.81 3.47 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 1.12 0.00 0.00 1.00 0.00 0.00 58 C 7.96 4.14 0.00 3.15 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 59 S 7.27 4.42 0.00 3.51 3.67 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 60 Q 7.39 4.49 0.00 2.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 61 K 8.15 4.57 0.00 1.24 1.45 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.37 7.81 62 N 9.00 5.08 0.00 3.08 2.80 0.00 0.00 6.28 7.74 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 63 V 8.55 4.60 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 0.67 0.00 0.00 0.81 0.00 0.00 64 A 8.27 4.56 1.17 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 0.00 0.00 0.00 65 C 8.99 4.44 0.00 3.10 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 66 K 8.54 3.79 0.00 1.87 2.02 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.38 7.81 67 N 7.93 4.41 0.00 2.83 2.96 0.00 0.00 6.16 6.97 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 68 G 8.06 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 69 Q 8.76 4.10 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 70 T 8.43 4.15 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 1.18 0.00 0.00 71 N 7.71 4.78 0.00 2.77 3.02 0.00 0.00 6.25 7.67 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 72 C 7.46 5.32 0.00 2.83 2.81 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 73 Y 8.62 5.29 0.00 2.82 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 74 Q 9.45 5.86 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 75 S 8.56 4.71 0.00 3.95 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 76 Y 9.27 4.32 0.00 3.05 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 77 S 7.81 5.05 0.00 3.92 3.77 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 78 T 8.37 4.01 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 1.09 0.00 0.00 79 M 8.94 4.82 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 80 S 8.62 4.55 0.00 3.94 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 81 I 9.17 4.99 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.98 0.00 0.00 82 T 9.17 5.66 4.48 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 1.47 0.00 0.00 83 D 8.62 4.73 0.00 2.84 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 84 C 9.53 5.31 0.00 2.66 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 85 R 8.89 5.25 0.00 1.96 1.81 0.00 3.19 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 1.53 1.60 0.00 86 E 9.01 4.00 0.00 1.66 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 2.25 2.25 0.00 87 T 8.37 4.45 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 88 G 9.57 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 89 S 7.44 3.52 0.00 4.15 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 90 S 8.17 4.24 0.00 3.84 3.72 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 91 K 8.12 4.60 0.00 1.82 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 92 Y 8.48 4.53 0.00 2.93 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 93 P 0.00 4.13 0.00 1.85 1.08 0.00 3.62 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 94 N 7.38 4.69 0.00 2.81 2.85 0.00 0.00 6.86 8.72 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 95 C 7.95 4.24 0.00 3.22 3.50 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 96 A 8.31 4.74 1.17 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 0.00 0.00 0.00 97 Y 8.71 4.88 0.00 3.14 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 98 K 9.37 4.62 0.00 1.86 1.77 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.49 7.81 99 T 8.13 5.18 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 1.42 0.00 0.00 100 T 8.97 4.56 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 0.00 101 Q 8.82 4.85 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 102 A 9.26 4.73 1.21 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 0.00 0.00 103 N 8.88 5.40 0.00 2.57 2.77 0.00 0.00 6.74 7.60 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 0.00 104 K 8.80 4.81 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 H 8.86 4.96 0.00 3.04 3.29 0.00 5.56 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 8.20 4.97 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 1.26 0.00 0.00 107 I 8.44 5.28 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.73 0.00 0.00 108 V 8.16 4.71 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 0.96 0.00 0.00 0.93 0.00 0.00 109 A 9.11 4.84 1.25 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 0.00 0.00 110 C 8.38 5.32 0.00 3.03 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 0.00 111 E 8.31 3.67 0.00 1.86 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 1.89 2.02 0.00 112 G 9.77 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 0.00 113 N 8.11 4.78 0.00 2.66 2.70 0.00 0.00 6.90 7.70 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 0.00 114 P 0.00 4.41 0.00 2.11 1.99 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 115 Y 8.55 4.37 0.00 2.87 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 0.00 116 V 8.46 4.59 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 0.79 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.34 0.00 0.49 1.62 0.00 3.47 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 118 V 8.72 4.07 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 0.65 0.00 0.00 0.82 0.00 0.00 119 H 7.90 5.29 0.00 3.05 3.18 0.00 5.60 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 0.00 120 F 9.15 4.58 0.00 2.98 2.55 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 0.00 121 D 7.93 4.85 0.00 2.54 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 0.00 122 A 7.03 4.77 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 0.00 123 S 8.91 5.33 0.00 3.89 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 0.00 124 V 9.03 4.10 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 0.78 0.00 0.00 0.93 0.00 0.00