NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9102 8.2014 109.7425 46.4474 0.0000 173.1013 2 G 3.4499 8.4238 110.1166 47.1254 0.0000 172.8437 3 S 4.6490 9.3041 122.6377 57.9184 64.0704 172.4620 4 V 4.0125 7.6183 121.5314 63.1754 32.0101 175.3327 5 I 4.5479 8.7478 128.9246 59.8118 39.0214 174.8253 6 V 4.6574 8.3440 127.0509 60.4078 32.9025 175.5124 7 I 4.3091 8.6086 127.3154 60.6578 37.4902 175.5943 8 D 4.9086 8.7984 125.0127 52.8179 40.5173 175.8671 9 S 4.6148 7.4421 113.9526 56.3405 66.8109 175.0901 10 K 3.9857 8.5902 122.8498 59.6402 31.9808 178.6871 11 A 4.0201 8.0722 120.4137 55.1434 18.2894 179.3398 12 A 3.9603 8.0889 119.2362 54.8175 18.4419 179.5501 13 W 4.0645 8.2865 126.9434 60.9548 30.8088 178.0057 14 D 4.2539 8.5303 118.5797 57.1575 40.1950 178.6810 15 A 3.9436 8.1459 121.3928 55.2826 18.3946 179.7592 16 Q 3.8469 8.1436 116.7072 58.9182 28.7104 178.9960 17 L 3.6413 7.4868 119.8622 57.4718 41.5164 179.2621 18 A 3.9181 7.9360 120.7844 54.9371 18.2361 179.5936 19 K 3.8852 7.9854 118.1615 59.6417 32.2730 179.0758 20 G 3.6578 7.9066 105.9958 47.7649 0.0000 175.4683 21 K 3.8615 7.9847 121.8598 59.0546 32.0223 178.4168 22 E 3.8304 7.9707 118.3867 59.3654 29.7336 178.0459 23 E 4.2306 8.2810 115.0192 55.8043 30.2982 176.0173 24 H 4.0085 7.5194 115.0566 57.0640 27.0061 174.5863 25 K 4.7371 7.9912 119.0941 53.6283 34.4552 174.4815 26 P 4.6778 0.0000 0.0000 63.0730 33.0232 174.9538 27 I 5.0266 8.6258 121.6709 59.4339 40.6619 174.7014 28 V 4.8456 8.6180 126.8128 59.8497 33.8685 174.5961 29 V 4.8262 9.2456 125.4221 61.0721 34.1738 173.6241 30 D 4.5049 8.7452 127.7857 52.4854 42.9041 175.0766 31 F 4.7620 8.6666 127.0193 56.6921 40.2198 175.0638 32 T 4.9122 8.6068 118.1835 60.4708 71.8054 171.8344 33 A 4.5697 7.5535 121.8485 50.6522 21.7266 177.7030 34 T 3.7617 8.4334 115.2097 64.2475 67.6733 175.2426 35 W 4.4370 7.3616 116.0473 57.0856 29.1619 176.9681 36 C 4.6185 7.4728 120.7258 55.3823 37.7985 173.7361 37 G 3.6799 8.6281 115.4922 47.6824 0.0000 172.8161 38 P 4.3522 0.0000 0.0000 65.0800 30.7731 179.4537 39 C 4.2787 7.7476 114.3228 59.8986 39.8290 176.1888 40 K 3.9172 7.7410 118.8011 59.3849 31.6925 178.8449 41 M 4.1794 8.0350 117.5548 57.7887 32.6988 176.9013 42 I 4.2540 7.5294 116.7052 61.0411 38.5304 176.9662 43 A 4.1297 7.5806 120.7657 55.6119 18.2412 177.6761 44 P 4.2255 0.0000 0.0000 65.6172 31.3494 178.5651 45 L 3.9551 7.9186 118.5718 58.1191 42.1554 178.4516 46 F 4.2636 8.2351 120.2912 61.5634 38.9277 176.8881 47 E 3.8759 8.5786 118.3995 59.5274 29.2443 179.5200 48 T 3.8023 7.9110 109.7818 64.8988 68.8780 176.5998 49 L 4.1505 8.0090 122.3586 57.3141 41.3399 179.6962 50 S 2.7900 6.9260 113.4144 60.3922 63.0113 176.0969 51 N 4.3690 7.3768 119.6652 56.1659 38.3091 177.1184 52 D 4.3098 8.1852 119.2201 56.5485 40.9991 177.0769 53 Y 4.5536 7.6494 114.9232 57.2518 38.5597 175.0952 54 A 4.1943 7.5240 123.9443 53.9843 18.7167 178.1687 55 G 4.1254 9.2436 110.9469 45.0471 0.0000 174.3654 56 K 4.4099 8.0433 117.4833 57.1395 33.4896 176.9237 57 V 4.6486 7.6140 116.2371 61.0473 34.8529 174.8767 58 I 4.3996 8.5234 128.2519 60.3994 38.8043 174.5163 59 F 5.2081 9.0180 125.8607 55.8028 41.1550 174.7824 60 L 5.4736 9.2662 123.2413 52.7754 45.6137 175.2655 61 K 4.8631 9.2161 123.1666 54.5976 35.3871 174.8764 62 V 4.4690 8.4433 126.8775 60.9976 34.4595 173.7094 63 D 4.8979 8.5996 128.7128 53.6338 41.5577 177.3195 64 V 3.6967 8.7046 120.8215 64.5813 31.7019 178.0036 65 D 4.4654 8.8106 120.3740 57.4116 40.8778 177.7807 66 A 4.1069 8.2231 120.4079 54.5137 19.4188 177.8498 67 V 4.4044 7.7337 113.9056 60.4284 31.6131 175.6079 68 A 3.9814 8.0201 125.6571 55.3450 18.6734 179.0352 69 A 3.8974 7.9402 118.5547 55.3393 18.4718 179.9235 70 V 3.1536 7.5653 115.8981 65.8913 31.2357 177.8571 71 A 3.7645 7.6809 120.0651 54.9958 18.2564 179.2474 72 E 3.7744 8.5520 117.8862 59.4699 29.5693 178.9876 73 A 3.9908 7.7730 119.0813 54.8996 18.4852 178.9250 74 A 4.1901 7.6882 117.7706 52.4484 18.6040 177.6272 75 G 3.7414 7.6549 104.8886 46.4519 0.0000 174.4289 76 I 3.7574 6.9227 119.2733 61.3490 37.5973 176.3106 77 T 4.6042 8.1194 113.7365 61.9415 70.7249 173.4779 78 A 4.7901 7.6953 121.7833 50.7549 22.2531 174.8078 79 M 4.6984 8.3657 119.5586 52.6969 35.3471 174.0219 80 P 4.6507 0.0000 0.0000 62.5668 33.9203 174.6745 81 T 4.9906 7.9841 115.7072 61.7596 72.6921 173.0506 82 F 5.9754 9.3789 124.0006 55.2890 42.1913 174.1509 83 H 5.5733 9.2245 119.7373 54.0428 32.6450 173.0710 84 V 4.8781 8.4575 120.4167 61.4027 34.3343 173.8024 85 Y 5.1539 9.2024 125.6114 56.1909 41.1713 174.9637 86 K 4.7585 8.6823 121.8559 55.3911 36.7940 176.3109 87 D 4.4463 9.9124 123.1252 55.5149 38.4786 174.7103 88 G 3.9536 8.6404 103.7212 45.6851 0.0000 174.1741 89 V 4.5769 7.7911 118.5723 60.1024 34.5879 174.6882 90 K 3.5438 8.8493 126.9291 56.6657 32.0858 176.0179 91 A 4.5679 8.4002 128.1197 52.4137 20.6654 175.4909 92 D 4.5313 7.5203 112.8775 54.0005 44.7201 173.7745 93 D 5.3731 8.4448 120.9896 52.7969 43.1314 174.1437 94 L 4.4628 8.9959 119.4768 54.2768 45.8381 173.6359 95 V 4.5693 8.6862 126.7214 61.4336 33.1526 174.3065 96 G 4.1226 8.3666 113.3941 44.2174 0.0000 172.9336 97 A 4.7758 8.2059 120.1998 51.9332 19.9163 177.9009 98 S 4.3255 8.0684 115.3324 59.5435 63.4879 173.5648 99 Q 4.0018 8.6881 128.9065 59.0192 28.5553 178.0969 100 D 4.3182 8.0159 118.6093 57.3047 41.3110 178.2345 101 K 3.9393 8.0194 119.0419 59.3107 32.1247 179.0875 102 L 3.7441 7.7938 120.3756 57.9596 42.1120 179.1767 103 K 3.9660 8.0881 118.1866 59.4800 31.9450 179.1697 104 A 4.0039 8.2610 121.2816 54.8844 18.2630 179.2664 105 L 3.8602 8.1043 119.0600 58.5397 42.2080 179.5282 106 V 3.3911 7.5707 117.2872 65.6276 31.4791 177.8702 107 A 3.9380 7.7990 120.2134 55.0127 17.8783 179.2248 108 K 3.7191 8.1367 118.4106 60.0400 32.0127 177.9702 109 H 4.2640 7.7291 112.4495 56.7312 29.0437 177.0256 110 A 4.1239 7.6830 122.7394 54.7309 18.3458 179.1810 111 A 4.0995 7.8846 117.8708 53.6149 18.6566 177.4011 112 A 4.0530 6.9359 122.9254 52.9145 20.7627 176.3329 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 G 8.20 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 2 G 8.42 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.30 4.65 0.00 3.79 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 4 V 7.62 4.01 2.28 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 0.99 0.00 0.00 1.04 0.00 0.00 5 I 8.75 4.55 1.92 0.00 0.00 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 1.31 0.65 0.93 0.00 0.00 6 V 8.34 4.66 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 0.75 0.00 0.00 0.95 0.00 0.00 7 I 8.61 4.31 2.05 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 1.39 1.10 1.09 0.00 0.00 8 D 8.80 4.91 0.00 2.74 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 9 S 7.44 4.61 0.00 4.05 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 10 K 8.59 3.99 0.00 1.83 1.88 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.46 7.81 11 A 8.07 4.02 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 12 A 8.09 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 13 W 8.29 4.06 0.00 3.45 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.25 0.00 2.77 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 15 A 8.15 3.94 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 16 Q 8.14 3.85 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 17 L 7.49 3.64 0.00 1.52 1.43 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.94 3.92 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 19 K 7.99 3.89 0.00 1.89 1.90 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 G 7.91 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 21 K 7.98 3.86 0.00 1.80 1.92 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 22 E 7.97 3.83 0.00 2.13 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 0.00 2.30 2.32 0.00 23 E 8.28 4.23 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 2.33 2.33 0.00 24 H 7.52 4.01 0.00 3.27 3.36 0.00 5.79 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.99 4.74 0.00 1.73 1.65 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.50 7.81 26 P 0.00 4.68 0.00 2.09 2.15 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 27 I 8.63 5.03 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.85 0.00 0.00 28 V 8.62 4.85 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 -0.52 0.00 0.00 1.12 0.00 0.00 29 V 9.25 4.83 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 0.28 0.00 0.00 1.17 0.00 0.00 30 D 8.75 4.50 0.00 1.58 1.74 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 31 F 8.67 4.76 0.00 2.87 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 32 T 8.61 4.91 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 1.06 0.00 0.00 33 A 7.55 4.57 0.04 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 34 T 8.43 3.76 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 1.32 0.00 0.00 35 W 7.36 4.44 0.00 3.56 3.18 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 36 C 7.47 4.62 0.00 2.15 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 37 G 8.63 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.35 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 39 C 7.75 4.28 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 40 K 7.74 3.92 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.58 7.81 41 M 8.04 4.18 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 42 I 7.53 4.25 1.96 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 1.59 1.32 1.16 0.00 0.00 43 A 7.58 4.13 1.43 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 0.00 0.00 0.00 44 P 0.00 4.23 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 45 L 7.92 3.96 0.00 1.77 1.87 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.24 4.26 0.00 3.31 3.34 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 47 E 8.58 3.88 0.00 2.18 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 2.45 2.71 0.00 48 T 7.91 3.80 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 1.28 0.00 0.00 49 L 8.01 4.15 0.00 1.74 1.84 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 S 6.93 2.79 0.00 3.30 3.09 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 0.00 0.00 0.00 0.00 51 N 7.38 4.37 0.00 2.80 2.80 0.00 0.00 6.90 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 52 D 8.19 4.31 0.00 2.48 2.35 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 53 Y 7.65 4.55 0.00 3.30 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 54 A 7.52 4.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 4.13 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 0.00 0.00 0.00 56 K 8.04 4.41 0.00 2.10 1.99 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.41 7.81 57 V 7.61 4.65 2.28 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 0.42 0.00 0.00 0.89 0.00 0.00 58 I 8.52 4.40 1.82 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 1.24 0.42 0.90 0.00 0.00 59 F 9.02 5.21 0.00 2.81 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 60 L 9.27 5.47 0.00 1.65 1.59 0.92 0.75 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 61 K 9.22 4.86 0.00 1.90 1.68 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.27 7.81 62 V 8.44 4.47 1.71 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 0.94 0.00 0.00 0.74 0.00 0.00 63 D 8.60 4.90 0.00 2.73 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 64 V 8.70 3.70 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 0.76 0.00 0.00 1.00 0.00 0.00 65 D 8.81 4.47 0.00 2.77 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 66 A 8.22 4.11 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 67 V 7.73 4.40 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 0.93 0.00 0.00 0.93 0.00 0.00 68 A 8.02 3.98 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 69 A 7.94 3.90 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 70 V 7.57 3.15 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 -0.18 0.00 0.00 0.59 0.00 0.00 71 A 7.68 3.76 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 8.55 3.77 0.00 1.99 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 2.26 2.28 0.00 73 A 7.77 3.99 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 74 A 7.69 4.19 0.95 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 75 G 7.65 3.74 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 0.00 0.00 0.00 76 I 6.92 3.76 1.64 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.05 0.74 0.00 0.00 77 T 8.12 4.60 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 1.20 0.00 0.00 78 A 7.70 4.79 1.20 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 0.00 0.00 79 M 8.37 4.70 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 80 P 0.00 4.65 0.00 1.64 1.98 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 81 T 7.98 4.99 4.13 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 1.23 0.00 0.00 82 F 9.38 5.98 0.00 2.99 3.03 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 0.00 0.00 0.00 83 H 9.22 5.57 0.00 3.58 3.14 0.00 5.57 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 84 V 8.46 4.88 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 0.72 0.00 0.00 0.84 0.00 0.00 85 Y 9.20 5.15 0.00 2.87 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 86 K 8.68 4.76 0.00 1.66 1.64 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.36 7.81 87 D 9.91 4.45 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 G 8.64 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 89 V 7.79 4.58 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 0.98 0.00 0.00 0.99 0.00 0.00 90 K 8.85 3.54 0.00 1.44 1.56 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 0.81 7.81 91 A 8.40 4.57 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 92 D 7.52 4.53 0.00 2.61 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 93 D 8.44 5.37 0.00 2.83 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 94 L 9.00 4.46 0.00 1.84 1.68 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.69 4.57 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 0.86 0.00 0.00 0.96 0.00 0.00 96 G 8.37 4.12 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 0.00 97 A 8.21 4.78 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 98 S 8.07 4.33 0.00 3.93 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 99 Q 8.69 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 100 D 8.02 4.32 0.00 2.71 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 0.00 101 K 8.02 3.94 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 102 L 7.79 3.74 0.00 1.47 1.69 0.27 0.21 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 0.00 103 K 8.09 3.97 0.00 2.02 1.88 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.48 7.81 104 A 8.26 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 0.00 105 L 8.10 3.86 0.00 1.86 1.82 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.57 3.39 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 0.17 0.00 0.00 0.83 0.00 0.00 107 A 7.80 3.94 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 0.00 108 K 8.14 3.72 0.00 1.81 1.95 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.39 7.81 109 H 7.73 4.26 0.00 3.09 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.68 4.12 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 0.00 111 A 7.88 4.10 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 0.00 112 A 6.94 4.05 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