NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4231 8.3049 120.3490 55.3043 32.3570 174.4347 2 K 4.0837 8.0714 122.4476 54.1021 33.1298 174.8321 3 T 4.9603 8.3495 111.2784 59.9168 73.3522 172.2317 4 I 4.5408 8.8333 122.1994 59.1645 41.3346 173.8833 5 H 5.1282 8.9458 129.2834 56.3127 30.8970 173.8860 6 V 4.9984 9.0426 126.5848 59.9884 34.1938 174.7196 7 S 5.1591 9.0335 117.5776 56.5327 66.1211 172.4387 8 V 4.8411 9.0611 126.9136 61.1384 33.9774 174.2563 9 V 4.9916 8.9438 127.9212 61.3217 34.8162 174.4048 10 T 5.5194 8.6160 116.8548 58.1615 71.9271 173.0831 11 P 4.4175 0.0000 0.0000 64.8813 31.2659 177.2154 12 D 4.4973 7.7375 116.7884 53.7726 41.4507 174.6584 13 G 3.7244 8.1405 105.2672 43.2217 0.0000 171.0247 14 P 4.7329 0.0000 0.0000 63.2305 31.4844 176.7203 15 V 4.3720 8.5438 115.8127 61.7269 33.2838 175.4710 16 Y 4.5639 7.6195 119.1670 56.6593 42.0359 172.4263 17 E 5.0829 7.7023 126.2629 55.0929 33.1008 173.1363 18 D 4.4336 8.7803 124.3521 54.0070 45.8731 173.4360 19 D 5.4789 8.6985 120.9889 52.7489 42.6431 176.3129 20 V 4.6020 8.9140 116.3892 59.5833 35.8511 176.3086 21 E 4.3657 9.3919 120.8501 58.8196 30.2147 177.0198 22 M 4.7638 7.5208 116.4207 54.4907 36.0235 173.4541 23 V 4.7457 8.5742 124.6950 61.2765 34.7624 174.1178 24 S 5.8464 9.0120 124.3321 56.2268 65.5799 173.8122 25 V 4.6580 8.1592 115.9012 59.6486 36.8062 174.3677 26 K 4.7172 8.5573 123.6909 54.9622 33.3705 175.7879 27 A 4.8030 8.7728 131.5656 50.6669 19.8336 178.3351 28 K 4.5032 8.5218 118.5892 58.6616 32.0855 179.1375 29 S 4.2790 8.3417 112.1083 58.5004 63.7454 174.1932 30 G 4.1478 7.0148 108.5092 43.6820 0.0000 170.9616 31 E 4.4905 8.1572 121.4006 56.1822 30.3948 176.0034 32 L 4.7603 9.3124 126.5112 52.8158 45.2615 175.6149 33 G 4.1593 8.7730 110.6600 44.7395 0.0000 172.6387 34 I 4.4495 8.8486 128.9428 59.7180 38.9371 175.4781 35 L 5.0688 8.3458 126.3029 51.7359 45.3773 174.3272 36 P 4.3684 0.0000 0.0000 64.7042 31.5569 177.1655 37 G 3.9895 8.9197 110.7004 45.1696 0.0000 173.1826 38 H 4.2109 7.6884 119.6834 55.5259 30.4083 175.1179 39 I 3.9338 7.8224 119.1692 60.0282 38.0958 173.8768 40 P 5.1165 0.0000 0.0000 62.7962 32.0570 175.6527 41 L 4.4794 8.1424 122.2187 54.1647 45.6656 173.4487 42 V 5.0390 8.5672 124.9066 61.1568 34.0176 174.3402 43 A 4.9933 8.9834 129.3280 49.3023 22.8151 173.2361 44 P 3.9497 0.0000 0.0000 62.5561 32.5191 175.1765 45 L 5.0242 8.4681 122.5606 53.1921 44.6753 176.0754 46 E 4.3102 8.6475 121.9527 54.8880 32.0547 175.4985 47 I 4.2601 8.1789 121.6647 62.6843 37.6676 175.7528 48 S 4.7118 9.0816 120.8638 58.7780 66.7955 173.5652 49 A 5.1684 8.6526 121.1017 50.5835 20.6628 176.3056 50 A 4.8013 8.9950 123.7789 50.2979 21.7792 176.0195 51 R 4.5525 9.0965 121.4740 54.2376 33.0666 174.9146 52 L 4.9826 8.7460 125.2321 52.8522 44.1336 175.3381 53 K 4.9008 8.7842 126.2102 54.4761 34.4530 175.0785 54 K 4.4731 9.1899 129.3560 54.8412 34.8047 176.3698 55 G 3.9130 9.5553 120.0156 46.6236 0.0000 174.2992 56 G 4.0830 8.1170 107.1855 45.9352 0.0000 174.1186 57 K 4.1979 8.0395 119.8142 56.4080 32.6621 175.7218 58 T 4.9980 8.4001 119.5382 61.7483 71.1921 173.0403 59 Q 4.5892 9.1297 127.9197 54.7065 31.2481 173.6286 60 Y 5.0416 8.5970 123.4505 56.4705 41.0336 174.6710 61 I 5.0394 8.5238 122.8370 59.4282 41.6450 174.3250 62 A 4.5971 9.2134 130.1323 51.6776 19.7259 176.1221 63 V 4.5845 8.9703 123.6480 60.6578 33.8070 176.5033 64 S 4.7892 8.5674 129.0404 57.3604 60.5454 174.2843 65 G 4.1132 7.6752 109.1626 44.5491 0.0000 172.4573 66 G 4.0995 6.9772 105.6473 45.5733 0.0000 171.4146 67 F 5.1770 8.7169 120.9548 55.7516 44.0862 173.4829 68 L 5.1616 9.2681 124.3405 53.4810 44.5413 174.8443 69 E 5.2089 9.7124 125.4848 54.5363 33.1117 174.7875 70 V 4.7867 9.0504 124.8185 61.2373 34.0886 174.6595 71 R 4.9206 8.9197 126.1459 53.4870 34.2226 174.6429 72 P 4.1527 0.0000 0.0000 66.2805 30.8670 177.1379 73 D 4.8490 7.8530 115.9621 52.7707 41.2339 175.7505 74 K 4.7822 7.5327 119.4436 55.4027 36.3539 174.3487 75 V 4.8357 8.9900 125.5459 61.4094 34.1745 174.3042 76 T 5.0320 9.1952 124.5442 61.8114 71.9624 172.8686 77 I 4.7264 8.8099 127.4804 59.7224 39.5485 174.6643 78 L 5.0622 9.1329 128.6009 53.1549 43.5703 175.4720 79 A 5.1291 9.0415 126.5682 49.9378 21.4150 176.9094 80 Q 4.1518 8.8216 120.9446 58.8497 29.4966 177.1443 81 A 4.8344 7.8428 118.2315 50.6071 22.8956 175.1713 82 A 5.6500 8.2769 121.1986 50.6101 22.6574 175.5509 83 E 4.6858 8.6373 120.3168 54.2002 33.7559 175.8703 84 R 4.2536 8.7638 122.8943 56.0288 31.3561 177.1879 85 A 4.0034 8.7213 125.3664 55.5480 18.3131 180.0217 86 E 4.1574 8.1725 110.6392 58.3119 29.8522 176.9978 87 D 4.7550 7.8182 118.2020 54.0507 41.6497 176.5215 88 I 3.7533 7.3775 121.4350 60.9923 37.6313 175.9519 89 D 4.5532 8.5572 124.8876 53.2457 41.2368 176.8803 90 V 3.5434 8.1716 127.5882 65.7357 31.6587 177.2024 91 L 3.8988 7.8804 119.6291 58.2600 41.8798 178.6696 92 R 3.8418 8.2218 118.2497 59.5191 29.9138 178.3109 93 A 3.9709 7.9852 120.4383 54.9976 18.3418 179.7192 94 K 3.8567 8.3733 117.0775 59.5737 32.1504 179.3507 95 A 3.9690 8.3396 121.0805 55.0785 18.2759 179.5136 96 A 3.9100 8.2190 119.4103 55.0638 18.4582 179.6052 97 K 3.7948 8.2337 118.3247 59.9838 32.2221 178.9087 98 E 4.1790 8.1974 118.6891 59.1737 29.2504 179.3465 99 R 3.8195 8.1850 118.7557 59.2353 30.0813 178.3973 100 A 3.9172 7.9535 120.5567 55.2816 18.1857 179.3866 101 E 3.8830 7.9015 115.7604 59.4505 29.9311 179.3631 102 R 4.0026 8.1541 118.6913 59.5460 30.2405 178.5401 103 R 3.8411 8.0320 117.9160 59.4716 29.9258 178.9646 104 L 3.9258 8.0300 116.7272 56.4747 41.5681 177.8639 105 Q 4.6559 7.2784 115.8225 55.5058 29.4804 176.2815 106 S 4.0990 8.1279 114.8876 60.9934 62.1776 174.8452 107 Q 3.6585 8.2602 117.8760 57.6831 27.4607 175.0375 108 Q 4.3848 7.7858 120.2419 56.1690 26.5717 174.5677 109 D 4.7789 7.9964 118.7074 51.5839 42.5060 175.6924 110 D 4.8378 8.6154 120.8394 53.7920 41.5113 175.7720 111 I 3.6230 7.6061 118.8057 61.1464 37.4461 174.9805 112 D 4.6221 8.5127 125.2764 53.7851 41.9583 176.6876 113 F 3.9307 9.0998 125.8668 60.3783 39.4105 177.6070 114 K 3.9505 7.8898 118.0857 59.7148 31.8839 178.7426 115 R 3.9489 8.1300 118.1174 59.1226 30.2597 177.9853 116 A 3.9204 7.7270 120.8602 55.1471 18.2959 179.5030 117 E 3.9549 8.6734 117.5513 59.5854 29.5360 179.5830 118 L 4.0009 7.9374 118.5094 57.5367 41.6121 179.3557 119 A 3.9678 8.2874 121.1822 55.0014 18.2577 179.4059 120 L 3.8661 7.7978 118.4587 58.3174 42.1202 179.3486 121 K 3.9790 8.1652 118.3933 59.5672 31.9733 179.5680 122 R 3.9012 8.2188 118.1545 59.0304 29.8889 179.0483 123 A 3.9553 8.0107 120.5607 55.5561 18.4647 179.5873 124 M 3.9712 8.3786 117.6672 58.4811 31.4483 178.5750 125 N 4.2968 8.5346 117.5881 56.7788 39.1291 177.2146 126 R 3.9539 8.0444 119.4790 59.2110 29.9860 179.0661 127 L 4.0166 8.1573 118.9715 57.7677 41.3575 179.7695 128 S 4.2394 7.9357 114.2125 61.6116 63.0940 176.6238 129 V 3.5884 8.0109 120.8649 65.9346 31.4376 177.8597 130 A 3.9831 8.4128 120.8410 55.1920 17.8936 179.3895 131 E 3.9614 7.6804 116.2514 59.1427 29.5544 178.3858 132 M 4.1126 7.5343 116.8681 55.2899 32.2890 176.2993 133 K 4.1603 7.6672 123.6487 57.0581 32.7646 176.7225 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 M 8.30 4.42 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.07 4.08 0.00 1.87 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 3 T 8.35 4.96 4.42 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 1.22 0.00 0.00 4 I 8.83 4.54 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.60 0.99 0.00 0.00 5 H 8.95 5.13 0.00 3.24 3.30 0.00 5.70 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 6 V 9.04 5.00 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 0.80 0.00 0.00 0.98 0.00 0.00 7 S 9.03 5.16 0.00 3.79 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 8 V 9.06 4.84 2.20 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 0.80 0.00 0.00 1.01 0.00 0.00 9 V 8.94 4.99 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 0.85 0.00 0.00 0.94 0.00 0.00 10 T 8.62 5.52 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 11 P 0.00 4.42 0.00 2.07 2.17 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 12 D 7.74 4.50 0.00 2.71 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 13 G 8.14 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 0.00 0.00 0.00 14 P 0.00 4.73 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 15 V 8.54 4.37 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 0.67 0.00 0.00 1.03 0.00 0.00 16 Y 7.62 4.56 0.00 3.06 2.78 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 17 E 7.70 5.08 0.00 1.90 1.62 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 2.19 2.41 0.00 18 D 8.78 4.43 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.70 5.48 0.00 2.55 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 20 V 8.91 4.60 2.32 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 0.85 0.00 0.00 1.01 0.00 0.00 21 E 9.39 4.37 0.00 1.91 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 0.00 2.32 2.25 0.00 22 M 7.52 4.76 0.00 2.02 1.82 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 2.67 2.47 0.00 23 V 8.57 4.75 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 0.84 0.00 0.00 0.93 0.00 0.00 24 S 9.01 5.85 0.00 3.69 3.69 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 25 V 8.16 4.66 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 0.67 0.00 0.00 0.91 0.00 0.00 26 K 8.56 4.72 0.00 1.92 1.68 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.41 7.81 27 A 8.77 4.80 1.29 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 0.00 0.00 28 K 8.52 4.50 0.00 1.74 1.86 0.00 1.56 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.25 7.81 29 S 8.34 4.28 0.00 3.98 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 30 G 7.01 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 31 E 8.16 4.49 0.00 1.97 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 2.29 2.40 0.00 32 L 9.31 4.76 0.00 1.52 1.49 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.77 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 0.00 0.00 0.00 0.00 34 I 8.85 4.45 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 0.86 0.00 0.00 35 L 8.35 5.07 0.00 1.59 1.55 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.37 0.00 2.04 2.02 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 37 G 8.92 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 0.00 0.00 0.00 38 H 7.69 4.21 0.00 3.32 3.23 0.00 5.96 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 39 I 7.82 3.93 1.86 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 1.28 0.71 0.87 0.00 0.00 40 P 0.00 5.12 0.00 1.97 2.04 0.00 3.78 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 41 L 8.14 4.48 0.00 1.80 1.49 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.57 5.04 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 0.89 0.00 0.00 0.94 0.00 0.00 43 A 8.98 4.99 1.23 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 0.00 0.00 44 P 0.00 3.95 0.00 1.83 1.71 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 45 L 8.47 5.02 0.00 1.56 1.52 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.65 4.31 0.00 1.89 1.84 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 2.25 2.23 0.00 47 I 8.18 4.26 1.86 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 1.38 0.44 0.95 0.00 0.00 48 S 9.08 4.71 0.00 3.84 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 49 A 8.65 5.17 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 50 A 8.99 4.80 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 51 R 9.10 4.55 0.00 1.56 1.52 0.00 3.26 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.00 52 L 8.75 4.98 0.00 1.43 1.57 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.78 4.90 0.00 1.75 1.61 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.33 7.81 54 K 9.19 4.47 0.00 1.72 1.66 0.00 2.22 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.55 7.81 55 G 9.56 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 56 G 8.12 4.08 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 0.00 0.00 0.00 57 K 8.04 4.20 0.00 1.97 1.76 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.57 7.81 58 T 8.40 5.00 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 0.71 0.00 0.00 59 Q 9.13 4.59 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 60 Y 8.60 5.04 0.00 2.93 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 61 I 8.52 5.04 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.45 0.92 0.00 0.00 62 A 9.21 4.60 1.27 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 0.00 0.00 63 V 8.97 4.58 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 0.99 0.00 0.00 0.92 0.00 0.00 64 S 8.57 4.79 0.00 3.78 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 65 G 7.68 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 66 G 6.98 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 0.00 0.00 0.00 67 F 8.72 5.18 0.00 2.99 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 68 L 9.27 5.16 0.00 1.71 1.66 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.71 5.21 0.00 1.89 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 2.23 2.24 0.00 70 V 9.05 4.79 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 1.05 0.00 0.00 0.87 0.00 0.00 71 R 8.92 4.92 0.00 1.74 1.80 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 72 P 0.00 4.15 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 73 D 7.85 4.85 0.00 2.69 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 74 K 7.53 4.78 0.00 1.87 1.58 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.40 1.32 7.81 75 V 8.99 4.84 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 0.99 0.00 0.00 0.93 0.00 0.00 76 T 9.20 5.03 4.25 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 1.22 0.00 0.00 77 I 8.81 4.73 1.89 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 1.24 0.78 0.92 0.00 0.00 78 L 9.13 5.06 0.00 1.68 1.66 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.04 5.13 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 80 Q 8.82 4.15 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 81 A 7.84 4.83 1.24 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 0.00 0.00 82 A 8.28 5.65 1.19 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 0.00 0.00 83 E 8.64 4.69 0.00 1.92 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 2.28 2.37 0.00 84 R 8.76 4.25 0.00 2.04 1.96 0.00 3.50 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 85 A 8.72 4.00 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 86 E 8.17 4.16 0.00 2.10 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 0.00 2.30 2.30 0.00 87 D 7.82 4.76 0.00 2.81 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 88 I 7.38 3.75 1.96 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 1.18 0.63 0.90 0.00 0.00 89 D 8.56 4.55 0.00 2.74 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 90 V 8.17 3.54 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 1.05 0.00 0.00 0.91 0.00 0.00 91 L 7.88 3.90 0.00 1.79 1.81 0.91 0.85 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 92 R 8.22 3.84 0.00 2.01 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 93 A 7.99 3.97 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 94 K 8.37 3.86 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 95 A 8.34 3.97 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 96 A 8.22 3.91 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 97 K 8.23 3.79 0.00 1.92 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 98 E 8.20 4.18 0.00 2.06 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 0.00 2.32 2.53 0.00 99 R 8.18 3.82 0.00 1.97 2.07 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 100 A 7.95 3.92 1.41 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 0.00 0.00 0.00 101 E 7.90 3.88 0.00 2.11 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 0.00 2.35 2.43 0.00 102 R 8.15 4.00 0.00 2.14 1.93 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 103 R 8.03 3.84 0.00 1.89 1.80 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 104 L 8.03 3.93 0.00 1.74 1.81 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.28 4.66 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 106 S 8.13 4.10 0.00 3.81 3.97 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 0.00 107 Q 8.26 3.66 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 108 Q 7.79 4.38 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 109 D 8.00 4.78 0.00 2.85 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 0.00 110 D 8.62 4.84 0.00 2.64 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 0.00 111 I 7.61 3.62 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.44 0.00 0.00 112 D 8.51 4.62 0.00 2.71 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 0.00 113 F 9.10 3.93 0.00 3.24 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 0.00 114 K 7.89 3.95 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 115 R 8.13 3.95 0.00 2.14 1.88 0.00 3.29 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 116 A 7.73 3.92 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 0.00 117 E 8.67 3.95 0.00 2.14 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 0.00 2.65 2.58 0.00 118 L 7.94 4.00 0.00 1.87 1.71 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.29 3.97 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 0.00 120 L 7.80 3.87 0.00 1.80 1.86 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.17 3.98 0.00 1.98 1.84 0.00 1.72 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 1.46 1.63 7.81 122 R 8.22 3.90 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 123 A 8.01 3.96 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 0.00 124 M 8.38 3.97 0.00 2.03 2.12 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 2.81 2.54 0.00 125 N 8.53 4.30 0.00 2.88 2.99 0.00 0.00 7.20 7.44 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 0.00 126 R 8.04 3.95 0.00 2.04 1.95 0.00 3.31 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 127 L 8.16 4.02 0.00 1.79 1.69 0.91 1.03 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 0.00 128 S 7.94 4.24 0.00 3.98 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 0.00 129 V 8.01 3.59 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 1.04 0.00 0.00 0.98 0.00 0.00 130 A 8.41 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 0.00 131 E 7.68 3.96 0.00 2.02 1.94 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 2.30 2.52 0.00 132 M 7.53 4.11 0.00 0.96 1.54 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.42 0.00 133 K 7.67 4.16 0.00 1.90 1.78 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.37 7.81