NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5021 8.4244 119.1930 53.2675 39.7627 175.3896 4 Q 3.9291 8.8247 113.4431 55.3393 30.9006 173.1566 5 Y 5.5588 9.1033 122.5600 55.3914 42.8544 173.2916 6 Y 5.0894 9.3554 122.2423 55.7649 42.4227 174.0228 7 G 3.4941 8.3490 114.1513 45.5521 0.0000 172.6694 8 T 3.7801 7.7889 116.5028 60.0140 68.2536 171.6855 9 G 4.2639 9.6869 113.0438 44.5915 0.0000 172.9671 10 R 4.7549 7.9336 117.4157 56.1066 31.3148 173.9356 11 R 4.2343 8.5696 112.3535 56.7999 32.7318 174.0777 12 K 3.8974 9.1438 118.9923 59.0133 28.8519 174.8188 13 S 3.6755 7.8545 106.4898 59.0034 62.5384 172.9406 14 S 5.2564 7.9584 114.5925 56.7115 64.7778 172.0686 15 A 4.7672 8.5480 130.2171 50.4199 20.4499 175.6484 16 A 4.9816 8.7762 124.6885 50.4424 22.3440 176.7834 17 R 4.5049 8.7149 117.6324 54.9500 33.7105 174.5948 18 V 4.6135 8.3263 124.4740 61.2242 34.4651 174.5729 19 F 6.0962 8.5981 124.0005 54.0689 39.8565 172.3943 20 I 4.2868 8.2032 121.6181 61.6952 38.2583 174.6550 21 K 4.7730 9.4256 128.3017 52.9668 36.0107 174.7506 22 P 4.7193 0.0000 0.0000 62.8969 29.8256 177.3728 23 G 4.2782 7.9537 108.2958 45.4818 0.0000 172.9314 24 N 4.1258 7.9977 118.9728 52.2352 38.3599 177.0076 25 G 5.2193 7.0817 107.9459 44.4847 0.0000 172.7811 26 K 4.3768 7.2560 120.8679 55.6743 34.1815 175.8335 27 I 4.7038 8.2465 124.6865 59.8731 40.2350 175.4323 28 V 5.1633 8.1068 128.3803 60.0445 32.6231 172.8269 29 I 3.9508 8.0049 126.2081 60.5025 38.7286 175.6592 30 N 3.9714 9.0889 125.4810 54.4260 36.5797 174.0996 31 Q 3.6776 8.0674 109.5365 57.2017 26.3735 173.6534 32 R 4.6586 7.8363 115.7440 54.1918 34.3344 174.8373 33 S 4.7580 8.1876 112.9621 57.3644 62.9260 173.3999 34 L 4.0608 8.1011 124.4254 58.8342 42.2942 178.8826 35 E 4.6677 7.9929 116.1749 57.1040 29.6864 178.2636 36 Q 4.2793 8.2587 119.2690 58.0317 30.6256 176.1492 37 Y 4.3178 7.5509 116.9660 59.4605 38.9338 175.8117 38 F 5.1981 7.9357 114.8188 56.6021 41.0041 174.7892 39 G 4.3448 8.2821 108.9319 46.5692 0.0000 173.3654 40 R 3.7320 8.6644 119.7574 56.4680 28.9213 175.8323 41 E 4.7013 7.6389 113.8603 54.8570 33.7717 176.7769 42 T 3.8961 8.6012 113.5418 63.3000 67.3173 175.3335 43 A 3.9912 8.4678 123.9729 54.5902 18.7102 180.3387 44 R 4.1573 7.9439 112.1947 58.5839 29.6132 177.8751 45 M 4.2355 7.7893 118.1451 58.4835 31.2957 178.6626 46 V 3.9657 7.6354 114.8147 63.5632 31.4200 178.8926 47 V 3.8247 7.7088 110.8708 63.8472 31.6577 177.9201 48 R 4.2442 7.9638 117.3309 57.6614 29.7280 178.5048 49 Q 4.2637 7.6242 117.8905 58.6315 28.8150 177.1313 50 P 4.0734 0.0000 0.0000 63.6400 31.5088 175.9531 51 L 4.4929 7.8038 118.8326 56.7255 43.6051 178.4771 52 E 4.1451 8.9913 116.9601 58.0822 29.4871 177.3765 53 L 4.4297 7.6875 119.0211 55.2850 43.4833 176.9234 54 V 4.1350 7.4320 108.4831 60.0788 32.4047 171.2029 55 D 4.6722 9.1910 129.3478 53.9564 41.9619 173.3766 56 M 4.4056 8.1004 119.6429 55.8508 33.0552 175.3097 57 V 3.7586 8.7832 117.1975 64.0621 31.8028 173.3483 58 E 4.8032 8.7135 114.5896 55.5779 30.4372 175.9046 59 K 4.5583 8.3676 119.1623 57.6487 35.4057 176.0637 60 L 4.5794 7.0114 117.8149 55.7875 43.1490 172.5241 61 D 5.7139 8.5247 120.2012 53.2374 42.0258 174.3820 62 L 5.4616 7.7561 115.0877 57.0514 44.5506 173.2627 63 Y 5.0574 8.6244 120.9244 56.2096 40.6557 174.2113 64 I 4.6038 8.0287 128.1595 61.0216 39.6324 176.1076 65 T 4.4724 8.4029 121.7234 63.0589 72.1253 172.9805 66 V 5.0547 8.3326 125.5716 60.0034 34.7889 174.9059 67 K 4.5999 8.7513 119.8917 56.0409 37.3354 172.8519 68 G 4.0698 9.1838 116.4408 46.5142 0.0000 172.2872 69 G 4.1252 9.3639 107.2567 43.9768 0.0000 171.0228 70 G 4.1107 8.3152 108.5320 43.5440 0.0000 171.5408 71 I 4.1024 8.1600 118.5166 64.8839 36.8223 178.2926 72 S 4.0474 8.0065 114.4356 61.4133 62.7053 176.8360 73 G 3.5315 7.8831 108.6619 47.8684 0.0000 175.1510 74 Q 4.1698 9.4625 123.3747 57.8805 28.8486 178.7031 75 A 3.9847 8.3152 121.6177 55.5277 18.0892 179.7372 76 G 3.5863 8.0237 102.3530 47.9066 0.0000 175.1243 77 A 4.1807 8.3209 123.5310 55.0061 18.3799 179.6466 78 I 3.6721 8.1458 118.6011 64.7425 37.2680 178.5276 79 R 4.0382 8.0571 119.2760 59.5686 29.6224 178.0825 80 H 4.3278 8.3480 118.2681 59.2020 29.9557 177.2335 81 G 3.6603 8.0153 108.3124 47.5489 0.0000 174.8369 82 I 3.6864 8.1984 122.4498 64.3432 36.8942 178.1520 83 T 3.7832 7.7936 114.2428 65.4270 67.4685 176.3410 84 R 3.9596 8.2816 120.1491 59.1107 30.0967 178.7900 85 A 4.7293 8.1241 122.2343 54.7205 18.3381 179.4001 86 L 4.0132 7.9982 117.5405 58.2453 40.9116 179.4324 87 M 4.3408 7.8518 118.0082 58.2918 31.9703 177.7336 88 E 3.8388 8.6088 118.5724 58.0362 29.3029 177.7949 89 Y 4.1321 6.5378 119.0745 57.9675 39.9957 175.0257 90 D 4.2853 8.3542 121.9622 53.2955 42.1550 174.8778 91 E 4.2152 8.5730 124.0295 57.4648 29.5489 177.8813 92 S 4.6744 8.2733 114.5949 58.2286 63.3839 174.9609 93 L 4.6234 7.4544 121.0968 55.9093 41.2756 178.4787 94 R 3.8815 7.9438 119.0209 58.9079 29.7898 178.1289 95 S 4.0816 8.1880 113.0362 61.8802 62.3077 176.1532 96 E 4.0813 7.9824 120.8198 59.0578 28.8148 179.3425 97 L 3.9633 7.7189 118.8892 57.9066 41.7785 178.7285 98 R 3.8578 8.8302 119.3910 59.3594 29.7870 178.3743 99 K 4.0867 7.9703 118.7162 59.9665 32.3944 177.7053 100 A 4.6383 7.8087 119.4650 50.6654 19.7478 176.6420 101 G 3.6961 8.4567 111.5911 46.7312 0.0000 172.8783 102 F 4.9180 8.5247 121.1738 59.4150 46.6697 177.5906 103 V 3.9502 8.1712 112.4895 64.4041 31.5775 177.4048 104 T 3.9072 7.2394 109.5201 61.5602 68.9980 173.7908 105 R 4.1034 8.2170 124.1960 54.3109 30.3616 174.8049 106 D 4.3411 8.4954 126.2363 54.6123 40.3224 176.6665 107 A 4.4082 8.0497 133.1015 51.5778 16.8328 177.5284 108 R 4.7077 7.2615 119.6221 54.0075 34.2616 175.5670 109 Q 4.5344 8.4468 120.4856 54.3031 32.0101 173.8369 110 V 3.5059 8.2526 122.5361 63.1642 32.0875 174.9585 111 E 4.3391 8.5006 126.6446 54.8681 30.4375 176.2072 112 R 4.0907 8.3586 122.9885 55.4801 30.3827 176.2276 113 K 4.1492 8.5360 122.7271 56.3962 32.5763 176.0380 114 K 4.6118 8.3177 125.1108 54.1513 34.1295 176.4077 115 V 3.6316 8.0536 121.6393 63.2528 31.9777 174.8647 116 G 4.2855 9.0231 113.3189 45.9855 0.0000 174.0307 117 L 4.3748 6.8893 116.8042 53.6973 43.0699 176.0348 118 R 4.4964 8.2520 117.2234 56.7518 32.3947 176.2044 119 K 4.3389 7.9990 115.2254 56.1690 33.0882 176.4432 120 A 4.1684 8.2623 120.5147 53.7244 18.5176 178.2074 121 R 4.5765 8.5402 111.0497 57.5671 37.3944 174.4734 122 R 3.8447 8.0758 120.6303 56.7392 29.3737 174.6002 123 R 4.6214 8.2638 124.5198 53.7006 31.0771 175.1810 124 P 4.3196 0.0000 0.0000 62.7258 31.6109 176.1637 125 Q 4.2217 8.6685 120.3475 56.3573 29.0366 175.9659 126 F 4.6589 8.8423 114.6123 55.7603 39.2122 179.2543 127 S 2.7900 7.2053 112.8410 59.2797 64.8822 172.0488 128 K 3.8000 7.9754 119.7159 55.8504 33.0849 176.7185 129 R 4.6089 8.5540 125.3916 56.5985 30.0782 175.5309 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 3 N 8.42 4.50 0.00 2.63 2.55 0.00 0.00 6.96 6.19 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 4 Q 8.82 3.93 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 5 Y 9.10 5.56 0.00 3.14 3.12 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 6 Y 9.36 5.09 0.00 2.98 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 7 G 8.35 3.49 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 0.00 0.00 0.00 8 T 7.79 3.78 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 1.27 0.00 0.00 9 G 9.69 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 0.00 0.00 0.00 0.00 10 R 7.93 4.75 0.00 1.97 1.86 0.00 3.09 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 11 R 8.57 4.23 0.00 1.92 1.94 0.00 2.87 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 12 K 9.14 3.90 0.00 1.90 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 S 7.85 3.68 0.00 4.08 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 14 S 7.96 5.26 0.00 4.01 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 15 A 8.55 4.77 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 16 A 8.78 4.98 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 17 R 8.71 4.50 0.00 1.78 2.02 0.00 3.16 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 18 V 8.33 4.61 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 0.98 0.00 0.00 0.85 0.00 0.00 19 F 8.60 6.10 0.00 3.45 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.20 4.29 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 1.19 0.00 0.00 21 K 9.43 4.77 0.00 1.91 1.78 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.26 7.81 22 P 0.00 4.72 0.00 2.22 2.11 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 23 G 7.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.00 4.13 0.00 3.00 3.09 0.00 0.00 5.85 6.93 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 25 G 7.08 5.22 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 0.00 0.00 0.00 26 K 7.26 4.38 0.00 1.85 1.71 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 27 I 8.25 4.70 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.97 0.00 0.00 28 V 8.11 5.16 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 1.28 0.00 0.00 1.01 0.00 0.00 29 I 8.00 3.95 1.64 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.66 0.00 0.00 30 N 9.09 3.97 0.00 2.12 2.49 0.00 0.00 7.11 7.49 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 31 Q 8.07 3.68 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 32 R 7.84 4.66 0.00 1.80 1.74 0.00 3.07 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 33 S 8.19 4.76 0.00 3.87 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 34 L 8.10 4.06 0.00 1.81 1.63 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.99 4.67 0.00 2.15 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 2.43 2.41 0.00 36 Q 8.26 4.28 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 37 Y 7.55 4.32 0.00 2.55 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.94 5.20 0.00 3.07 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 G 8.28 4.34 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 0.00 40 R 8.66 3.73 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 41 E 7.64 4.70 0.00 2.28 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 2.30 2.48 0.00 42 T 8.60 3.90 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 1.16 0.00 0.00 43 A 8.47 3.99 0.67 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 0.00 0.00 44 R 7.94 4.16 0.00 2.11 2.34 0.00 3.13 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 45 M 7.79 4.24 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 46 V 7.64 3.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 47 V 7.71 3.82 2.19 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 0.99 0.00 0.00 1.06 0.00 0.00 48 R 7.96 4.24 0.00 2.05 2.25 0.00 3.18 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 49 Q 7.62 4.26 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 50 P 0.00 4.07 0.00 2.07 2.07 0.00 3.74 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 2.04 2.02 0.00 51 L 7.80 4.49 0.00 1.85 1.66 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.99 4.15 0.00 1.84 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 2.58 2.42 0.00 53 L 7.69 4.43 0.00 1.57 1.47 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.43 4.13 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 0.71 0.00 0.00 0.97 0.00 0.00 55 D 9.19 4.67 0.00 2.78 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 56 M 8.10 4.41 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 57 V 8.78 3.76 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 0.80 0.00 0.00 0.94 0.00 0.00 58 E 8.71 4.80 0.00 2.00 1.93 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 2.30 2.39 0.00 59 K 8.37 4.56 0.00 1.61 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.35 1.32 7.81 60 L 7.01 4.58 0.00 1.71 1.60 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.52 5.71 0.00 2.83 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 62 L 7.76 5.46 0.00 1.79 1.94 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.62 5.06 0.00 3.10 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 64 I 8.03 4.60 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.35 0.90 0.00 0.00 65 T 8.40 4.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 V 8.33 5.05 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 0.84 0.00 0.00 1.07 0.00 0.00 67 K 8.75 4.60 0.00 1.76 1.70 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 68 G 9.18 4.07 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 0.00 0.00 0.00 69 G 9.36 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 70 G 8.32 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 71 I 8.16 4.10 1.84 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 1.68 0.50 0.87 0.00 0.00 72 S 8.01 4.05 0.00 3.97 4.06 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 73 G 7.88 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 74 Q 9.46 4.17 0.00 2.57 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 75 A 8.32 3.98 0.71 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 0.00 0.00 76 G 8.02 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 77 A 8.32 4.18 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 78 I 8.15 3.67 2.16 0.00 0.00 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 1.50 0.99 0.99 0.00 0.00 79 R 8.06 4.04 0.00 1.96 2.16 0.00 3.41 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 80 H 8.35 4.33 0.00 3.30 3.40 0.00 5.85 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 81 G 8.02 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 82 I 8.20 3.69 1.87 0.00 0.00 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 1.41 1.10 0.89 0.00 0.00 83 T 7.79 3.78 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 1.37 0.00 0.00 84 R 8.28 3.96 0.00 1.90 1.81 0.00 3.23 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 85 A 8.12 4.73 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 86 L 8.00 4.01 0.00 1.94 1.73 0.93 0.52 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 87 M 7.85 4.34 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 88 E 8.61 3.84 0.00 1.39 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 89 Y 6.54 4.13 0.00 2.93 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 90 D 8.35 4.29 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.57 4.22 0.00 1.94 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 2.55 2.22 0.00 92 S 8.27 4.67 0.00 3.96 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 93 L 7.45 4.62 0.00 1.86 1.87 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.94 3.88 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 95 S 8.19 4.08 0.00 3.88 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 96 E 7.98 4.08 0.00 1.96 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 2.33 2.49 0.00 97 L 7.72 3.96 0.00 1.75 1.55 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.83 3.86 0.00 1.87 2.17 0.00 3.13 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 99 K 7.97 4.09 0.00 1.93 1.98 0.00 1.67 0.00 0.00 2.06 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.70 7.81 100 A 7.81 4.64 1.73 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 0.00 0.00 101 G 8.46 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 0.00 0.00 0.00 102 F 8.52 4.92 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.17 3.95 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 0.78 0.00 0.00 0.97 0.00 0.00 104 T 7.24 3.91 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 0.00 105 R 8.22 4.10 0.00 1.78 1.86 0.00 3.38 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 106 D 8.50 4.34 0.00 2.61 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 0.00 107 A 8.05 4.41 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.26 4.71 0.00 1.73 1.77 0.00 3.21 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 109 Q 8.45 4.53 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 110 V 8.25 3.51 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 0.81 0.00 0.00 0.93 0.00 0.00 111 E 8.50 4.34 0.00 1.94 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 2.26 2.35 0.00 112 R 8.36 4.09 0.00 1.96 1.92 0.00 3.09 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 K 8.54 4.15 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 114 K 8.32 4.61 0.00 1.89 1.68 0.00 1.61 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.46 7.81 115 V 8.05 3.63 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 0.70 0.00 0.00 0.93 0.00 0.00 116 G 9.02 4.29 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 0.00 117 L 6.89 4.37 0.00 1.83 1.79 0.97 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 0.00 118 R 8.25 4.50 0.00 1.71 2.03 0.00 3.30 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 119 K 8.00 4.34 0.00 1.77 1.62 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 120 A 8.26 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.54 4.58 0.00 1.70 1.91 0.00 3.35 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 122 R 8.08 3.84 0.00 1.84 1.96 0.00 3.17 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 123 R 8.26 4.62 0.00 1.87 1.87 0.00 3.28 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 1.74 1.63 0.00 124 P 0.00 4.32 0.00 2.21 2.10 0.00 3.79 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 2.02 1.99 0.00 125 Q 8.67 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 126 F 8.84 4.66 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 0.00 127 S 7.21 2.79 0.00 3.89 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 0.00 128 K 7.98 3.80 0.00 1.67 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 129 R 8.55 4.61 0.00 2.08 1.89 0.00 3.40 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00