NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1010 8.0549 120.3922 62.5091 32.5351 175.1754 2 L 4.0706 8.3453 127.3605 52.5154 42.4910 175.8517 3 S 4.5938 9.2686 117.6365 57.4839 66.4766 174.8260 4 E 4.2763 8.7951 122.4811 59.4867 29.3309 178.9742 5 G 3.6566 8.1216 105.2920 47.8854 0.0000 175.3786 6 E 3.9206 8.0834 120.5913 58.9709 29.4433 179.4443 7 W 4.3847 8.1657 118.9669 59.9890 28.9956 178.6298 8 Q 4.2172 8.5965 118.2239 58.9034 27.9656 178.7733 9 L 4.0706 7.9241 119.8438 57.6017 41.6602 179.7377 10 V 3.7730 7.8945 118.2621 66.2004 31.7035 178.2394 11 L 4.2602 8.6281 119.0828 57.8483 41.1924 178.9675 12 H 4.4435 8.5074 118.4409 59.0691 30.1990 177.3291 13 V 3.7660 7.8248 121.2226 64.2532 31.4797 178.2526 14 W 3.8369 8.4380 128.7512 59.9826 30.2519 177.7490 15 A 4.0361 7.8590 120.0404 54.9987 18.0495 179.4526 16 K 3.9567 7.7402 116.9128 59.3529 32.1086 179.5989 17 V 2.7135 7.0955 118.0067 65.6992 31.0412 177.2628 18 E 4.0004 7.5993 115.3114 57.6974 29.2941 178.4297 19 A 4.1985 7.5865 121.3336 54.2014 19.8694 177.7791 20 D 4.6903 7.8095 115.6998 52.1364 43.2176 175.7174 21 V 3.4180 7.8471 123.8511 64.3327 31.6820 178.2159 22 A 4.0423 8.0147 120.9437 54.9682 18.3967 179.6649 23 G 3.6304 8.1878 105.4659 47.7774 0.0000 175.6382 24 H 4.1277 8.1726 118.4666 58.3635 28.6397 178.1231 25 G 3.3114 8.1379 107.6638 47.7041 0.0000 175.7576 26 Q 4.1380 7.9598 120.3886 58.9215 28.7428 178.6499 27 D 4.3218 7.8285 119.3393 57.3636 40.7258 178.9306 28 I 3.5529 7.6297 120.2514 63.9877 37.0251 178.5268 29 W 4.0108 7.8061 119.6658 59.8139 28.9850 178.5689 30 I 3.7755 7.7731 119.7043 64.3503 36.4944 178.4873 31 R 3.7972 8.0473 119.4478 59.2288 29.8719 178.2924 32 L 3.9158 7.9683 120.2310 58.4095 41.8675 179.0804 33 F 4.6662 8.2934 117.7347 60.0694 38.5126 177.6712 34 K 4.1209 7.7909 117.3846 59.0453 32.2935 179.0286 35 S 4.2764 8.0215 114.5991 60.4452 64.1648 174.5494 36 H 4.7329 8.3464 118.7434 51.8415 29.7826 171.6277 37 P 4.5551 0.0000 0.0000 64.6754 31.2867 177.4786 38 E 4.1149 8.2561 116.0753 59.5041 29.3104 179.1666 39 T 3.7799 7.9869 110.8812 64.4676 68.7869 176.3143 40 L 3.7297 8.0134 123.0010 57.8157 41.7738 178.6196 41 E 4.1057 7.8367 117.7123 58.7930 29.4132 178.8672 42 K 4.3968 7.9461 117.3055 57.1642 32.5276 176.8721 43 F 4.5517 8.0354 118.9040 55.6689 38.3607 176.2177 44 D 4.3103 8.4501 126.6954 56.8302 40.9132 178.3134 45 R 3.8392 7.6521 118.0214 57.7258 30.4240 176.4617 46 F 5.0109 7.4670 113.7778 56.6864 40.6618 176.4736 47 K 4.0619 8.2832 120.3969 58.7329 32.2773 177.5032 48 H 4.4208 8.0418 114.5216 57.0988 29.2019 175.5055 49 L 4.0029 7.3586 120.9929 55.1681 41.5026 176.9458 50 K 4.2182 9.0985 124.2810 57.7347 33.0163 177.0576 51 T 4.7417 7.2998 107.5539 58.9247 73.2307 174.2345 52 E 3.9568 8.6195 120.2802 59.1565 29.5968 178.3263 53 A 3.9807 7.9314 120.5053 55.2346 18.5237 179.3228 54 E 3.9329 8.0255 116.6339 59.6881 29.2909 179.4577 55 M 3.9743 7.7807 117.7338 58.3805 32.1540 178.4489 56 K 4.0615 8.1690 118.4539 59.3457 32.4579 178.2441 57 A 4.3751 7.9130 119.4389 52.7976 18.7347 177.2337 58 S 4.1565 7.5146 112.7467 57.9551 62.4371 174.3627 59 E 4.0096 8.8671 129.7094 59.4052 29.3865 178.2352 60 D 4.4528 8.1188 118.6656 57.2631 41.0339 178.2815 61 L 2.9962 7.9351 120.9495 57.4568 41.9999 178.9564 62 K 4.0283 8.0312 119.6788 59.5787 32.2260 178.9344 63 K 4.0587 8.3716 118.9958 59.8602 31.8780 178.8598 64 H 4.5297 8.9516 119.0653 59.1624 29.7219 177.5892 65 G 3.6614 8.7190 107.8833 47.6551 0.0000 175.9314 66 V 3.6017 7.8096 120.0602 66.0615 31.5557 178.2872 67 T 3.9140 7.8749 115.4645 66.6042 68.2796 176.7194 68 V 3.6080 8.0898 120.2916 66.2667 31.5843 178.1775 69 L 4.1482 8.1372 118.7131 58.0170 41.4154 179.7605 70 T 4.0271 8.2222 115.8081 66.4314 68.3188 176.7280 71 A 4.0105 8.0968 122.8737 55.0441 18.3595 179.4819 72 L 3.7174 8.2079 119.2100 57.9978 42.1277 179.3602 73 G 3.1643 8.4101 105.9085 47.6222 0.0000 175.5084 74 A 3.9925 7.7899 122.1536 54.7829 18.6798 179.5728 75 I 3.7655 7.4122 117.9589 64.5735 37.2246 178.6447 76 L 3.9748 7.7437 119.8786 57.7231 41.1873 179.6950 77 K 3.9554 7.7282 116.9239 58.5502 32.2311 178.8501 78 K 3.9344 7.7682 118.2179 56.1689 32.5441 176.6693 79 K 2.0000 8.2227 118.2384 56.4133 29.8438 175.2054 80 G 3.9739 7.8597 105.8176 45.8431 0.0000 173.9354 81 H 4.8591 7.5244 118.2155 54.7873 27.7510 175.4842 82 H 5.5997 7.1263 112.3396 54.8982 29.6078 176.1350 83 E 3.9745 8.2953 123.0591 60.4974 29.0949 178.8723 84 A 4.1150 7.9065 118.7072 55.2323 17.3359 179.0858 85 E 4.1128 8.1411 116.6717 59.3920 29.6745 179.2783 86 L 4.3750 8.2807 119.1984 57.1812 41.6534 179.1627 87 K 3.8678 7.8280 119.2123 59.3509 32.0948 177.4272 88 P 4.3382 0.0000 0.0000 65.5816 31.3355 178.2218 89 L 3.9870 7.5729 119.7237 58.0424 42.0753 178.7725 90 A 4.2000 8.5908 121.1335 55.1829 18.3312 179.3867 91 Q 3.9320 8.1862 118.3210 59.4074 29.2123 178.7087 92 S 4.0661 8.1290 115.3404 61.8371 63.1544 176.1377 93 H 4.4574 8.6574 119.5055 57.8417 28.2004 177.6842 94 A 2.7341 7.8722 122.1339 54.7680 18.6604 179.4291 95 T 3.8145 7.3885 112.4549 66.1160 68.8302 176.2576 96 K 4.0470 7.4799 119.6551 59.0571 32.8184 177.4596 97 H 4.2162 8.2530 115.6213 56.6292 29.3054 175.7783 98 K 3.1473 7.4413 116.9677 56.9699 28.6098 174.6143 99 I 4.3349 8.2258 118.4871 58.7688 38.5601 174.9550 100 P 4.4766 0.0000 0.0000 62.0612 32.1368 177.7150 101 I 3.7431 8.3496 121.3869 64.5302 36.8944 178.5797 102 K 3.8936 7.9289 120.0111 59.7693 31.9995 178.2701 103 Y 4.1772 7.9091 116.8428 60.7803 37.7942 178.0556 104 L 4.2903 7.9173 119.6147 57.5724 41.7957 179.0934 105 E 4.0913 8.1887 118.9646 59.1733 29.3654 179.2349 106 F 4.5650 7.9488 117.9429 60.8469 38.9475 177.6274 107 I 3.8686 8.2313 118.2203 64.1004 37.7785 178.0867 108 S 4.1779 8.2916 116.3571 61.4987 62.6457 176.2265 109 E 4.0339 8.5772 121.8977 59.1562 29.4039 178.7651 110 A 3.9978 8.0735 120.8907 55.1131 18.4433 179.5618 111 I 3.5973 8.0140 118.5602 64.7766 37.1809 178.7618 112 I 3.7881 7.8845 120.4795 64.5846 36.9325 178.0455 113 H 4.1224 8.4568 119.1729 59.2649 29.7055 177.5800 114 V 3.5548 7.9190 120.0715 65.9723 31.2801 178.0561 115 L 3.7924 7.8235 118.8325 57.7122 41.0145 178.9336 116 H 4.4376 8.0407 117.6501 59.2756 29.9001 177.1265 117 S 4.1198 7.7996 113.6753 61.6585 62.4405 176.0949 118 R 3.9834 8.0784 119.4763 57.7772 31.2035 176.6634 119 H 5.0364 8.2433 115.5041 53.9533 29.0153 173.2056 120 P 4.3574 0.0000 0.0000 65.3082 31.7768 178.5472 121 G 3.7523 8.0566 107.1296 47.7874 0.0000 173.8710 122 N 5.0479 8.3350 114.4552 52.6896 40.7124 174.3487 123 F 4.9058 8.0233 118.5088 56.7431 39.7631 174.6065 124 G 3.8866 7.6540 108.5257 43.9142 0.0000 172.0776 125 A 3.8809 8.4158 120.6890 55.4328 18.3469 179.7225 126 D 4.1816 7.9632 116.5378 57.3913 40.9585 178.7573 127 A 3.9018 7.7243 120.7447 55.1525 18.3888 179.3004 128 Q 2.9529 7.7414 118.4556 58.7544 28.9835 178.6432 129 G 3.4999 8.0789 106.6989 47.7594 0.0000 175.5689 130 A 3.8595 7.9861 123.3444 54.9170 18.2980 179.4437 131 M 4.0238 8.1666 116.8502 58.7166 32.2834 177.9740 132 N 4.3068 8.5260 117.7018 56.5448 39.1300 176.7295 133 K 3.8333 8.1487 120.8570 59.3894 32.2272 178.6743 134 A 3.7982 7.8850 121.0072 55.1567 18.2655 179.6919 135 L 4.1314 8.1985 117.6218 57.8514 41.5732 179.5902 136 E 4.0078 8.6487 119.2465 59.0985 29.2801 179.0660 137 L 3.9543 7.9948 120.5753 57.9560 42.1397 178.6859 138 F 4.1380 8.3021 120.6021 61.6421 39.3227 177.4275 139 R 3.4239 8.2093 117.6219 58.6575 29.7542 179.0279 140 K 3.8274 8.2129 119.8004 59.7336 32.3891 178.7404 141 D 4.3460 8.2050 119.2416 57.2155 40.6592 178.9069 142 I 3.3906 7.5505 120.3928 63.9594 36.9680 178.1955 143 A 3.7606 7.9886 121.8271 55.0641 18.2887 179.5444 144 A 3.9333 7.8706 119.2582 55.1717 18.4424 179.8372 145 K 3.9639 7.9487 117.8618 59.7131 32.1767 178.5580 146 Y 4.4784 8.4917 117.6213 61.1026 37.9007 178.6298 147 K 3.9333 8.2097 120.3578 59.7918 32.1368 178.7843 148 E 4.0718 7.9767 117.0285 58.9581 29.4505 178.5207 149 L 4.3861 7.9439 116.9300 54.9595 42.0100 177.7128 150 G 3.8952 7.8651 106.8835 45.3901 0.0000 172.2171 151 Y 4.7268 7.8385 120.6515 55.2413 40.1249 175.5713 152 Q 3.7363 8.4014 128.5189 57.2689 29.5310 176.0683 153 G 3.7202 5.5094 109.8352 45.6703 0.0000 173.0272 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 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.35 4.07 0.00 1.00 0.75 0.62 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.27 4.59 0.00 4.00 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 4 E 8.80 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.12 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 6 E 8.08 3.92 0.00 1.96 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 0.00 2.21 2.26 0.00 7 W 8.17 4.38 0.00 3.58 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 8 Q 8.60 4.22 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 9 L 7.92 4.07 0.00 1.86 1.74 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.89 3.77 2.50 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 1.18 0.00 0.00 0.94 0.00 0.00 11 L 8.63 4.26 0.00 1.81 1.81 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.51 4.44 0.00 3.30 3.39 0.00 5.94 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 13 V 7.82 3.77 2.43 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 1.02 0.00 0.00 0.87 0.00 0.00 14 W 8.44 3.84 0.00 3.70 3.17 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 15 A 7.86 4.04 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 16 K 7.74 3.96 0.00 1.47 1.59 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 17 V 7.10 2.71 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 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 18 E 7.60 4.00 0.00 2.04 1.92 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 2.26 2.25 0.00 19 A 7.59 4.20 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 20 D 7.81 4.69 0.00 2.72 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 21 V 7.85 3.42 1.96 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 0.73 0.00 0.00 0.84 0.00 0.00 22 A 8.01 4.04 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 23 G 8.19 3.63 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 0.00 0.00 0.00 24 H 8.17 4.13 0.00 3.19 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.14 3.31 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 0.00 26 Q 7.96 4.14 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 27 D 7.83 4.32 0.00 2.74 2.62 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 28 I 7.63 3.55 1.57 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.54 0.00 0.00 29 W 7.81 4.01 0.00 3.33 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 30 I 7.77 3.78 2.00 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 1.45 1.24 0.97 0.00 0.00 31 R 8.05 3.80 0.00 1.98 2.02 0.00 3.04 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 32 L 7.97 3.92 0.00 1.77 1.59 1.11 1.51 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 33 F 8.29 4.67 0.00 3.11 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 34 K 7.79 4.12 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.62 7.81 35 S 8.02 4.28 0.00 3.69 3.52 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 36 H 8.35 4.73 0.00 2.86 2.67 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.16 2.13 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 38 E 8.26 4.11 0.00 2.32 2.31 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 2.23 2.54 0.00 39 T 7.99 3.78 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 0.91 0.00 0.00 40 L 8.01 3.73 0.00 1.17 1.69 -0.17 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.84 4.11 0.00 2.19 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 2.38 2.54 0.00 42 K 7.95 4.40 0.00 1.80 1.67 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.95 7.81 43 F 8.04 4.55 0.00 3.26 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 44 D 8.45 4.31 0.00 2.59 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 45 R 7.65 3.84 0.00 1.34 0.69 0.00 3.01 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.33 0.00 46 F 7.47 5.01 0.00 2.79 2.62 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 47 K 8.28 4.06 0.00 1.84 2.20 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.39 7.81 48 H 8.04 4.42 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.36 4.00 0.00 1.48 1.56 0.76 0.58 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 50 K 9.10 4.22 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 T 7.30 4.74 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 1.20 0.00 0.00 52 E 8.62 3.96 0.00 2.07 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 2.38 2.39 0.00 53 A 7.93 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 54 E 8.03 3.93 0.00 2.14 1.98 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 2.32 2.34 0.00 55 M 7.78 3.97 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 56 K 8.17 4.06 0.00 1.80 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 57 A 7.91 4.38 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 58 S 7.51 4.16 0.00 3.94 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 59 E 8.87 4.01 0.00 2.14 1.96 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 2.40 2.50 0.00 60 D 8.12 4.45 0.00 3.00 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 61 L 7.94 3.00 0.00 0.98 1.51 -1.06 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.03 4.03 0.00 1.99 2.02 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 K 8.37 4.06 0.00 2.10 1.95 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.65 7.81 64 H 8.95 4.53 0.00 3.62 3.54 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.72 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 66 V 7.81 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 67 T 7.87 3.91 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 1.32 0.00 0.00 68 V 8.09 3.61 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 1.10 0.00 0.00 1.25 0.00 0.00 69 L 8.14 4.15 0.00 1.75 1.89 0.77 0.83 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 70 T 8.22 4.03 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 1.26 0.00 0.00 71 A 8.10 4.01 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 72 L 8.21 3.72 0.00 1.54 1.68 0.26 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.41 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 0.00 0.00 0.00 74 A 7.79 3.99 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 75 I 7.41 3.77 1.85 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 1.53 0.91 0.90 0.00 0.00 76 L 7.74 3.97 0.00 1.41 1.60 -0.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 3.96 0.00 1.78 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.77 3.93 0.00 1.92 1.75 0.00 1.90 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.85 7.81 79 K 8.22 2.00 0.00 1.21 0.74 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.45 1.00 7.81 80 G 7.86 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 0.00 0.00 0.00 81 H 7.52 4.86 0.00 3.17 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.13 5.60 0.00 3.35 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.30 3.97 0.00 2.09 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 0.00 2.42 2.47 0.00 84 A 7.91 4.12 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 85 E 8.14 4.11 0.00 2.25 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 2.40 2.47 0.00 86 L 8.28 4.37 0.00 1.71 1.69 0.80 0.83 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 87 K 7.83 3.87 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.73 7.81 88 P 0.00 4.34 0.00 2.31 2.34 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 89 L 7.57 3.99 0.00 1.96 1.91 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.59 4.20 1.45 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 91 Q 8.19 3.93 0.00 2.19 2.14 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 2.35 2.36 0.00 92 S 8.13 4.07 0.00 4.03 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 93 H 8.66 4.46 0.00 3.63 3.66 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.87 2.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.39 3.81 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 1.12 0.00 0.00 96 K 7.48 4.05 0.00 1.55 1.69 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.36 7.81 97 H 8.25 4.22 0.00 2.99 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.44 3.15 0.00 1.75 1.67 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 1.19 7.81 99 I 8.23 4.33 2.15 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 1.36 1.00 1.19 0.00 0.00 100 P 0.00 4.48 0.00 1.81 1.77 0.00 2.85 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 1.44 1.94 0.00 101 I 8.35 3.74 1.83 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 1.60 1.14 0.88 0.00 0.00 102 K 7.93 3.89 0.00 1.69 1.66 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.81 1.28 7.81 103 Y 7.91 4.18 0.00 3.28 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 0.00 104 L 7.92 4.29 0.00 1.93 1.86 0.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 4.09 0.00 2.11 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 2.34 2.53 0.00 106 F 7.95 4.56 0.00 3.29 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 0.00 107 I 8.23 3.87 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 1.11 0.00 0.00 108 S 8.29 4.18 0.00 4.22 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 0.00 109 E 8.58 4.03 0.00 2.26 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 0.00 2.38 2.42 0.00 110 A 8.07 4.00 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 0.00 111 I 8.01 3.60 2.08 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 1.49 0.78 1.01 0.00 0.00 112 I 7.88 3.79 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.16 0.00 0.00 113 H 8.46 4.12 0.00 3.36 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.92 3.55 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 0.86 0.00 0.00 0.93 0.00 0.00 115 L 7.82 3.79 0.00 0.41 0.43 0.73 0.59 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 0.00 116 H 8.04 4.44 0.00 3.50 3.58 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.12 0.00 3.91 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 0.00 118 R 8.08 3.98 0.00 1.56 1.57 0.00 3.16 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 119 H 8.24 5.04 0.00 3.18 3.18 0.00 5.62 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 P 0.00 4.36 0.00 2.16 2.15 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 121 G 8.06 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 0.00 122 N 8.34 5.05 0.00 2.66 2.75 0.00 0.00 6.67 7.07 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 0.00 123 F 8.02 4.91 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.65 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 0.00 125 A 8.42 3.88 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 0.00 126 D 7.96 4.18 0.00 2.65 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 0.00 127 A 7.72 3.90 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 0.00 128 Q 7.74 2.95 0.00 1.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 129 G 8.08 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 0.00 0.00 0.00 130 A 7.99 3.86 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 0.00 131 M 8.17 4.02 0.00 2.54 2.41 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 2.78 2.90 0.00 132 N 8.53 4.31 0.00 2.92 2.94 0.00 0.00 6.85 6.44 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 0.00 133 K 8.15 3.83 0.00 1.91 1.72 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 7.88 3.80 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 0.00 135 L 8.20 4.13 0.00 1.76 1.83 0.98 0.74 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 0.00 136 E 8.65 4.01 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 2.35 2.56 0.00 137 L 7.99 3.95 0.00 1.91 1.99 1.03 1.17 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 0.00 138 F 8.30 4.14 0.00 3.15 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 0.00 139 R 8.21 3.42 0.00 1.84 1.84 0.00 3.20 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 140 K 8.21 3.83 0.00 1.84 2.01 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.20 4.35 0.00 2.73 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 0.00 142 I 7.55 3.39 1.33 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 -0.06 0.00 0.00 143 A 7.99 3.76 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 0.00 144 A 7.87 3.93 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 0.00 145 K 7.95 3.96 0.00 2.00 1.94 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.49 4.48 0.00 3.23 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 0.00 147 K 8.21 3.93 0.00 1.98 2.07 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.98 4.07 0.00 2.20 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 2.36 2.50 0.00 149 L 7.94 4.39 0.00 1.84 1.74 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.87 3.90 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 0.00 0.00 0.00 151 Y 7.84 4.73 0.00 2.60 2.59 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 0.00 152 Q 8.40 3.74 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 153 G 5.51 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