NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2257 8.1727 120.1329 56.8016 34.7817 174.0249 2 V 4.5172 8.1030 122.2391 60.9164 32.2321 174.7565 3 F 4.3958 9.3814 128.2285 57.2931 40.0986 174.9565 4 E 4.0672 8.9815 122.8850 56.0572 30.7723 176.9410 5 R 3.3663 8.9805 124.4349 60.3229 30.0138 179.5973 6 C 4.3386 8.3425 115.3314 59.7101 40.5533 175.6063 7 E 3.8852 8.3389 120.6880 59.1712 29.2315 178.5221 8 L 3.5667 8.0785 120.1593 57.8186 42.0901 178.5380 9 A 3.9399 7.7998 120.7353 55.5369 18.3427 179.9292 10 R 3.9005 7.9694 116.3454 59.5172 29.9454 179.5102 11 T 3.8701 7.8521 115.6051 66.6873 68.4892 176.7645 12 L 3.8631 8.1490 121.3060 57.4476 41.5944 179.4582 13 K 3.9066 8.1522 119.6632 59.6811 31.9482 179.1296 14 R 3.9980 7.8964 117.0062 58.6917 29.9776 177.9947 15 L 4.4307 7.2825 116.7171 54.1653 41.7500 177.0997 16 G 3.8704 7.8675 106.8880 46.5249 0.0000 174.9941 17 M 3.9094 7.8321 120.7194 56.3993 32.2682 175.7303 18 D 4.4057 7.9825 118.0275 55.5867 40.9060 175.6515 19 G 3.9589 9.4140 115.5814 45.4773 0.0000 171.3233 20 Y 4.1785 8.2330 121.6842 59.0635 39.1639 176.6655 21 R 3.5107 8.9695 127.0146 57.1925 27.7966 177.1193 22 G 3.8160 8.1417 104.4496 45.3374 0.0000 173.7191 23 I 4.0823 7.6097 122.0574 59.2820 37.8702 175.7683 24 S 4.6020 8.3273 121.0848 57.9845 64.9010 174.6533 25 L 4.2246 8.6630 124.2733 58.6872 41.7181 179.4768 26 A 4.2261 8.1153 120.0815 55.1500 18.3174 179.2006 27 N 4.4203 8.0903 115.3466 56.3673 38.5680 177.6917 28 W 4.2588 7.9584 119.9553 59.8434 29.0201 178.5100 29 M 4.1582 8.6768 119.1849 58.6738 31.5059 177.8673 30 C 3.2501 8.1634 118.7468 59.1903 42.7212 175.2370 31 L 3.9595 8.2212 121.6623 58.3621 41.7493 178.8333 32 A 4.1675 8.3690 120.6510 54.9402 18.2983 179.4250 33 K 2.7628 8.2924 118.3609 59.2848 32.0187 178.9787 34 W 4.2252 7.6918 117.1657 58.9206 29.2146 178.4531 35 E 4.3081 8.5020 118.7768 58.8686 28.9850 178.0557 36 S 4.5310 7.8753 109.4406 56.4394 64.5724 174.3971 37 G 3.5256 8.4532 108.8606 46.9534 0.0000 173.2792 38 Y 3.6769 7.1274 110.6966 58.7637 35.4794 168.7538 39 N 5.3411 7.9406 118.7643 51.9477 40.5462 175.4582 40 T 4.0574 8.9541 117.3104 63.8231 69.2623 176.1107 41 R 4.3772 8.0068 116.5843 56.0047 30.4456 176.3880 42 A 4.2810 7.9128 122.7060 52.5680 19.2908 176.4987 43 T 4.9677 8.5099 112.0861 59.7626 72.1709 173.0939 44 N 4.9112 8.7891 121.5934 52.0795 42.2176 172.4910 45 Y 4.5745 8.7226 127.9140 57.4149 40.7782 173.8837 46 N 4.6728 8.3238 124.6857 51.1752 38.7357 175.3598 47 A 3.7698 8.2779 127.6295 54.7156 19.0378 179.1543 48 G 3.7953 8.1511 104.3920 48.2516 0.0000 173.9012 49 D 4.7279 7.5465 115.0864 51.9953 40.0833 176.0710 50 R 4.1759 8.1918 116.2263 56.9016 28.2460 176.0578 51 S 4.8132 7.8872 114.2073 57.6974 65.8177 172.8490 52 T 5.1223 8.7576 115.1876 62.0301 72.8536 173.0168 53 D 5.5917 9.0559 124.7494 53.1738 43.5524 175.0842 54 Y 4.8775 8.9888 119.8316 57.5168 41.6546 177.0994 55 G 4.5127 9.3867 112.7850 45.6136 0.0000 173.5493 56 I 3.8099 8.2160 117.0191 62.8149 38.0789 177.6303 57 F 4.7193 8.0085 115.8750 56.4355 39.9505 175.1554 58 Q 3.6399 7.8353 119.1682 57.1162 26.6145 174.0807 59 I 4.4107 8.1474 118.9835 61.2000 39.1285 176.8074 60 N 5.6138 9.1812 125.6980 53.0447 40.0400 175.7522 61 S 4.6301 8.9921 119.8980 60.2451 63.3835 175.4519 62 R 3.7443 8.9077 122.4760 58.7370 30.4460 177.7288 63 Y 3.9056 7.7138 114.9142 57.7256 40.3819 176.8714 64 W 4.9986 7.9847 118.4204 57.5550 31.8607 173.9349 65 C 5.5662 8.0264 112.0070 53.7194 45.9376 172.5000 66 N 4.9058 8.9781 119.7575 52.4526 39.7343 174.9487 67 D 4.8585 8.9098 124.0838 52.5266 40.4109 176.7682 68 G 4.1502 8.5538 109.7455 45.4619 0.0000 174.7025 69 K 4.4635 8.0015 115.2974 56.5887 32.8145 175.6507 70 T 4.4896 7.7179 117.8704 61.2374 69.4900 172.2192 71 P 4.3302 0.0000 0.0000 63.7836 31.9217 176.6710 72 G 3.7624 8.8673 109.0503 45.7494 0.0000 173.2047 73 A 4.2747 7.3271 120.1814 51.6514 19.4865 177.4457 74 V 4.3727 8.0624 112.5174 59.3975 35.6634 176.0990 75 N 5.0267 8.0464 116.1772 52.6752 37.9177 174.6641 76 A 4.1869 8.7875 123.3745 54.6358 19.2747 178.6693 77 C 4.3922 8.8927 111.4456 56.6165 40.6640 173.7872 78 H 4.0561 7.7764 114.3293 56.3228 27.4932 174.0342 79 L 4.8330 8.2913 118.8009 53.1801 46.4233 176.8342 80 S 4.5292 8.4293 115.5984 58.4135 63.1625 176.0903 81 C 3.9949 8.7961 124.5410 59.6916 40.4447 176.2858 82 S 3.9713 7.8966 114.8432 61.4425 61.6228 176.0292 83 A 4.1093 7.9282 122.4421 54.4197 18.4106 177.9258 84 L 4.5169 7.7483 116.3680 54.8979 41.7604 177.5021 85 L 5.3877 7.6939 116.3248 53.6278 42.4715 176.8282 86 Q 4.3146 7.9140 117.6376 55.5552 29.4361 176.0814 87 D 4.4187 8.6030 120.5073 57.2233 41.1268 176.8415 88 N 4.5773 8.0705 118.1102 53.3036 39.3589 174.5908 89 I 4.3217 8.3980 118.7101 60.9355 38.0474 177.1113 90 A 3.9327 8.5033 125.0982 56.0627 18.2036 180.2936 91 D 4.2750 8.0920 116.5401 57.3612 40.8778 178.7393 92 A 4.0907 7.9662 120.9497 55.1040 18.4168 179.7003 93 V 3.3520 8.2686 117.0122 65.9771 31.5843 178.0442 94 A 3.8239 8.0464 120.6304 55.3319 18.1156 178.8566 95 C 4.1887 8.3832 116.7440 59.6203 37.8731 175.5155 96 A 3.9325 8.2794 122.8673 55.1395 17.6047 179.7552 97 K 3.8253 7.8586 116.4324 59.3838 32.4119 179.1562 98 R 4.0580 7.8779 119.0107 59.3627 30.0274 178.4104 99 V 2.3029 7.4301 118.0553 65.8455 31.1228 177.8033 100 V 3.9455 7.3047 107.4312 62.1675 31.6898 177.8663 101 R 4.1908 7.7272 117.8147 57.1862 30.5045 176.4654 102 D 4.7407 7.4877 119.2447 52.7356 41.9275 175.3980 103 P 4.2433 0.0000 0.0000 66.1317 31.6688 178.4081 104 Q 4.0471 8.1841 116.2228 56.6797 30.0526 177.5099 105 G 3.5879 7.7412 107.4135 46.6226 0.0000 176.3869 106 I 3.7856 7.6967 122.3510 62.6022 37.9058 177.4718 107 R 4.2264 7.3323 117.6072 58.3278 30.0462 177.4275 108 A 3.9152 7.6911 121.1615 54.4071 18.6317 177.7970 109 W 4.6778 8.1705 117.0857 55.6093 29.8262 177.5597 110 V 3.7406 8.7673 123.6221 66.0247 30.9789 177.6513 111 A 4.0355 8.2701 120.1819 54.8017 18.1359 179.2365 112 W 3.9926 8.3405 126.5391 60.6321 30.5802 178.4394 113 R 4.0080 8.0048 117.8538 58.8493 29.6630 178.3646 114 N 4.3653 8.0899 115.1123 55.4417 38.6613 176.7545 115 R 4.0454 7.5919 115.8149 55.7146 32.0971 175.8396 116 C 4.4994 7.1170 113.6201 57.9137 39.5785 174.2687 117 Q 3.2338 6.7737 120.9732 57.0783 28.7811 176.1622 118 N 4.2555 8.6629 120.2008 53.9422 36.0649 173.8026 119 R 4.4598 7.3011 116.2507 54.0921 32.7029 175.4005 120 D 4.5772 8.4440 118.9844 54.1091 40.9666 175.9474 121 V 4.6355 8.2305 119.0274 61.2100 32.5139 178.1339 122 R 4.0822 8.3306 122.4267 59.1735 30.1722 179.0359 123 Q 4.0025 8.0927 115.6681 59.1549 28.6761 178.1667 124 Y 4.0969 7.6191 115.3274 60.2685 38.2503 177.3334 125 V 4.2982 7.6975 110.3395 60.6101 32.5897 175.2432 126 Q 4.1252 7.5754 122.7709 57.6099 28.9783 176.7440 127 G 3.9808 8.9715 113.1859 45.9072 0.0000 174.3365 128 C 4.3975 7.9758 115.6473 57.1262 40.6316 174.4977 129 G 3.8944 8.3069 107.2746 46.0199 0.0000 173.9978 130 V 4.0066 7.7467 117.9588 61.1165 32.0390 175.6981 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 4.23 0.00 1.64 2.12 0.00 1.06 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.15 7.81 2 V 8.10 4.52 2.09 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.38 4.40 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.98 4.07 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 5 R 8.98 3.37 0.00 1.98 1.92 0.00 3.46 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 6 C 8.34 4.34 0.00 3.25 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 8.34 3.89 0.00 2.06 2.22 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 2.73 2.47 0.00 8 L 8.08 3.57 0.00 1.34 1.38 -0.15 0.63 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 9 A 7.80 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 10 R 7.97 3.90 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.85 3.87 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 1.22 0.00 0.00 12 L 8.15 3.86 0.00 1.73 1.59 0.92 0.34 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 13 K 8.15 3.91 0.00 1.94 1.92 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.90 4.00 0.00 1.98 1.97 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 15 L 7.28 4.43 0.00 1.58 1.56 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.87 3.87 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 0.00 17 M 7.83 3.91 0.00 1.33 1.98 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 18 D 7.98 4.41 0.00 2.68 2.68 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 19 G 9.41 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 0.00 0.00 0.00 20 Y 8.23 4.18 0.00 3.36 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 21 R 8.97 3.51 0.00 1.68 1.75 0.00 3.12 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.00 22 G 8.14 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.61 4.08 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.67 -0.21 0.00 0.00 24 S 8.33 4.60 0.00 4.11 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 25 L 8.66 4.22 0.00 2.07 1.82 1.00 1.53 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 26 A 8.12 4.23 1.52 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 27 N 8.09 4.42 0.00 2.74 2.77 0.00 0.00 7.09 7.73 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 28 W 7.96 4.26 0.00 3.54 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 8.68 4.16 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.16 3.25 0.00 2.52 3.15 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 31 L 8.22 3.96 0.00 1.86 1.89 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.37 4.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.29 2.76 0.00 1.65 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.55 1.42 7.81 34 W 7.69 4.23 0.00 3.33 3.25 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 35 E 8.50 4.31 0.00 2.02 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 2.59 2.55 0.00 36 S 7.88 4.53 0.00 4.06 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 0.00 37 G 8.45 3.53 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 0.00 0.00 0.00 38 Y 7.13 3.68 0.00 3.36 2.91 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 39 N 7.94 5.34 0.00 2.85 2.81 0.00 0.00 7.03 6.55 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 40 T 8.95 4.06 4.45 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 1.44 0.00 0.00 41 R 8.01 4.38 0.00 2.00 2.10 0.00 3.08 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 42 A 7.91 4.28 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 8.51 4.97 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 1.19 0.00 0.00 44 N 8.79 4.91 0.00 2.83 2.77 0.00 0.00 6.95 7.32 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 45 Y 8.72 4.57 0.00 3.11 2.84 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 46 N 8.32 4.67 0.00 2.63 2.58 0.00 0.00 7.00 7.01 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 47 A 8.28 3.77 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 48 G 8.15 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 0.00 0.00 0.00 49 D 7.55 4.73 0.00 2.72 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 50 R 8.19 4.18 0.00 2.06 2.23 0.00 3.15 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 51 S 7.89 4.81 0.00 4.02 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 52 T 8.76 5.12 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 0.66 0.00 0.00 53 D 9.06 5.59 0.00 2.69 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 54 Y 8.99 4.88 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 9.39 4.51 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 0.00 0.00 0.00 56 I 8.22 3.81 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.38 0.01 0.00 0.00 57 F 8.01 4.72 0.00 3.20 2.83 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 58 Q 7.84 3.64 0.00 2.57 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.28 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 59 I 8.15 4.41 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 1.13 0.00 0.00 60 N 9.18 5.61 0.00 3.09 3.02 0.00 0.00 7.05 7.80 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 61 S 8.99 4.63 0.00 4.05 4.33 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 62 R 8.91 3.74 0.00 1.68 1.70 0.00 2.85 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 63 Y 7.71 3.91 0.00 1.93 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 64 W 7.98 5.00 0.00 3.49 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 65 C 8.03 5.57 0.00 3.04 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 66 N 8.98 4.91 0.00 2.85 2.70 0.00 0.00 7.01 8.50 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 67 D 8.91 4.86 0.00 2.85 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 68 G 8.55 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 69 K 8.00 4.46 0.00 1.90 1.90 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.46 7.81 70 T 7.72 4.49 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 1.23 0.00 0.00 71 P 0.00 4.33 0.00 2.16 2.06 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 72 G 8.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.27 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 74 V 8.06 4.37 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 0.56 0.00 0.00 0.83 0.00 0.00 75 N 8.05 5.03 0.00 2.77 2.62 0.00 0.00 6.97 7.75 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 76 A 8.79 4.19 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 77 C 8.89 4.39 0.00 3.16 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 78 H 7.78 4.06 0.00 3.34 3.38 0.00 5.50 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.29 4.83 0.00 1.69 1.53 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.43 4.53 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 8.80 3.99 0.00 2.24 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 82 S 7.90 3.97 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.93 4.11 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 84 L 7.75 4.52 0.00 1.94 1.81 1.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.69 5.39 0.00 1.78 1.71 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.91 4.31 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 7.32 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 87 D 8.60 4.42 0.00 2.63 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 88 N 8.07 4.58 0.00 2.70 2.75 0.00 0.00 6.92 7.96 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 89 I 8.40 4.32 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.98 0.00 0.00 90 A 8.50 3.93 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 91 D 8.09 4.27 0.00 2.71 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 7.97 4.09 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 93 V 8.27 3.35 2.18 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 0.72 0.00 0.00 0.88 0.00 0.00 94 A 8.05 3.82 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 95 C 8.38 4.19 0.00 3.11 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 96 A 8.28 3.93 0.78 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 97 K 7.86 3.83 0.00 1.53 1.27 0.00 1.24 0.00 0.00 0.64 0.00 0.00 2.34 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.97 7.81 98 R 7.88 4.06 0.00 1.95 2.11 0.00 3.29 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 1.93 1.97 0.00 99 V 7.43 2.30 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 -0.34 0.00 0.00 -0.65 0.00 0.00 100 V 7.30 3.95 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 1.03 0.00 0.00 1.44 0.00 0.00 101 R 7.73 4.19 0.00 2.08 2.05 0.00 3.24 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.08 0.00 102 D 7.49 4.74 0.00 3.14 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 0.00 103 P 0.00 4.24 0.00 2.01 2.12 0.00 3.68 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 2.02 2.12 0.00 104 Q 8.18 4.05 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.74 3.59 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 0.00 106 I 7.70 3.79 1.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.74 -0.74 0.00 0.00 107 R 7.33 4.23 0.00 2.03 2.04 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 108 A 7.69 3.92 0.83 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 0.00 109 W 8.17 4.68 0.00 3.44 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 0.00 110 V 8.77 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 1.04 0.00 0.00 1.00 0.00 0.00 111 A 8.27 4.04 1.51 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 0.00 0.00 112 W 8.34 3.99 0.00 3.44 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 0.00 113 R 8.00 4.01 0.00 2.02 1.99 0.00 3.39 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 114 N 8.09 4.37 0.00 2.67 2.69 0.00 0.00 6.89 7.25 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 0.00 115 R 7.59 4.05 0.00 1.17 0.66 0.00 2.21 0.00 0.00 2.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 116 C 7.12 4.50 0.00 1.69 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 0.00 117 Q 6.77 3.23 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.09 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 118 N 8.66 4.26 0.00 2.80 2.85 0.00 0.00 6.87 7.59 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 0.00 119 R 7.30 4.46 0.00 1.86 1.81 0.00 3.09 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 120 D 8.44 4.58 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.64 2.38 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 0.91 0.00 0.00 1.05 0.00 0.00 122 R 8.33 4.08 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.09 4.00 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.62 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 124 Y 7.62 4.10 0.00 3.16 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 0.00 125 V 7.70 4.30 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 0.89 0.00 0.00 1.04 0.00 0.00 126 Q 7.58 4.13 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 127 G 8.97 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 0.00 128 C 7.98 4.40 0.00 3.02 3.14 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 0.00 129 G 8.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.01 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 0.66 0.00 0.00 0.96 0.00 0.00