NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6203 8.4293 116.2177 55.1376 30.3741 173.2778 2 C 4.1359 7.9467 114.0408 56.8183 30.2253 172.0974 3 D 4.5953 8.3832 118.6789 55.1922 40.0472 175.6672 4 L 4.0808 8.1129 120.4919 56.9208 42.2762 175.6670 5 P 4.6021 0.0000 0.0000 62.2412 32.3848 175.2705 6 C 4.3466 8.4983 113.1109 57.6931 30.7723 175.0232 7 G 3.9168 8.2954 107.5002 45.4648 0.0000 172.8665 8 V 4.2539 7.2079 119.0043 60.9974 32.7385 174.3617 9 Y 4.6327 8.0158 123.4786 56.7030 42.0965 174.5038 10 D 3.6397 7.9627 117.7090 51.7440 43.5537 174.6794 11 P 4.0083 0.0000 0.0000 64.7554 31.1371 178.0031 12 A 3.9693 8.4975 120.5483 55.1561 17.6291 179.6978 13 Q 3.7847 8.1104 116.3717 59.0795 28.8016 178.8170 14 A 4.0839 7.7828 121.2434 55.0589 18.4223 179.3850 15 R 3.8487 8.2262 117.4979 59.7477 30.2148 178.7562 16 I 3.8732 7.9836 119.7058 64.5462 37.0899 178.3474 17 E 3.9925 7.9814 118.1001 59.3492 29.2961 179.2725 18 A 4.0761 8.2223 120.8444 55.1085 18.3141 179.5748 19 E 3.9743 8.4855 117.6592 59.6425 29.4080 179.7104 20 S 4.1250 8.0283 115.2984 61.2910 62.8257 176.7763 21 V 3.5621 7.7469 121.0567 65.9663 31.3323 178.0660 22 K 4.1118 8.0711 119.0546 59.4980 32.0870 178.5134 23 A 4.0480 8.2617 121.2418 55.2967 18.2176 179.7405 24 I 3.7196 8.1474 118.6051 64.6409 37.0480 178.6329 25 Q 4.0250 8.1211 118.9415 59.0238 28.5352 178.8317 26 E 4.0154 8.3480 119.6061 59.4189 29.5050 179.5945 27 K 4.1464 8.1836 118.4894 59.5991 31.9193 179.1850 28 M 4.4630 8.2024 117.7300 57.5440 31.9045 177.7132 29 A 4.3395 7.7490 119.0569 52.9574 19.2410 177.5318 30 A 4.3982 7.6449 118.4753 51.9310 19.6780 176.6761 31 N 4.6404 7.7543 115.0651 52.4925 40.2768 173.2153 32 D 4.7408 8.6368 124.7734 53.2194 40.2644 176.7203 33 D 4.4160 8.4495 120.7585 54.6105 42.5912 176.2693 34 L 3.9352 8.6498 128.3617 58.9971 42.2419 179.0896 35 H 4.2102 8.3211 115.3453 58.5820 28.6516 177.5390 36 F 4.2197 8.5034 122.4901 61.3456 39.2763 177.2398 37 Q 3.9390 8.4016 117.8291 58.8627 28.3685 179.0364 38 I 3.6393 7.7883 120.7150 64.4700 37.1283 178.6692 39 R 3.8130 7.9451 118.6068 59.1304 29.8055 178.9761 40 A 3.7140 7.9164 120.8486 55.3445 18.3014 179.8621 41 T 3.7308 7.7598 114.1535 66.6030 68.5259 176.9851 42 V 3.5483 7.8700 120.2966 66.3051 31.5387 178.2408 43 I 4.0161 7.9139 121.0422 63.5509 36.8135 178.3562 44 K 3.8924 8.3895 121.0740 59.3144 31.9948 178.3499 45 E 3.8907 8.2302 119.5806 59.5035 29.1423 178.9240 46 Q 3.9702 7.8612 117.4391 59.1392 28.7436 179.0665 47 R 4.0113 8.2399 118.9531 59.0483 30.0304 178.9634 48 A 3.9850 8.3042 120.9905 55.0890 18.3087 179.2945 49 E 3.8717 8.2173 117.9045 59.3744 29.6162 179.1062 50 L 3.9247 7.9595 118.7613 57.5833 41.6603 179.2262 51 A 4.0548 8.2359 120.8795 55.1373 18.2859 179.8445 52 K 3.8986 8.2569 117.0393 59.8076 32.1454 178.9167 53 H 4.1198 8.3796 118.5663 59.7557 29.8249 176.9589 54 H 4.2391 8.3620 117.9769 58.9086 28.4628 177.8531 55 L 4.0926 8.0467 120.8148 57.8894 41.3951 179.1868 56 D 4.5249 8.5997 119.3503 57.5024 40.7309 179.1100 57 V 3.7387 8.0328 118.7032 65.9629 31.4487 178.1340 58 L 3.9736 8.0510 118.6579 57.4422 41.2491 179.2880 59 W 4.6450 8.5635 127.6307 60.6944 30.8356 177.7133 60 S 4.0662 8.7365 112.9926 60.1905 62.9610 175.1250 61 D 4.7224 8.3111 120.9451 56.3348 41.7957 177.2637 62 Y 3.3233 7.6037 118.4382 59.9870 39.1320 175.7252 63 F 3.9469 8.0621 118.6771 57.5606 39.6367 175.4564 64 K 4.5021 8.2123 124.1359 53.9805 34.2561 175.4225 65 P 4.4499 0.0000 0.0000 65.9374 31.0606 177.1534 66 P 4.2561 0.0000 0.0000 65.8043 31.0957 178.3619 67 H 4.2870 8.0808 115.2049 58.9210 28.3774 177.7471 68 F 4.2533 7.4966 117.8615 59.8246 38.7370 177.1023 69 E 4.2849 7.9857 117.4404 59.0991 29.7557 178.5181 70 S 4.3115 8.2506 114.4729 59.8559 63.9759 173.9613 71 Y 4.5691 8.0083 119.8782 54.6447 37.8622 174.0044 72 P 4.4414 0.0000 0.0000 64.8835 31.9590 177.3185 73 E 4.3769 8.1587 114.3432 56.7391 30.7422 177.7239 74 L 3.8931 8.2361 122.6138 58.8210 42.0488 178.2599 75 H 4.4067 8.4766 115.3297 59.5563 28.6454 177.7077 76 T 3.8448 7.9782 116.7531 66.3776 68.2977 176.2279 77 L 3.9648 8.2915 122.6364 58.3178 42.1581 179.3282 78 V 3.5719 7.9604 118.2082 65.8686 31.4311 177.4735 79 N 4.0415 8.0547 116.8685 56.6679 38.7399 176.7927 80 E 3.7325 8.2661 120.0837 58.8902 29.4657 179.2573 81 A 3.8600 7.4471 120.9265 55.3110 18.5213 180.1973 82 V 3.5942 7.7621 110.9386 64.3893 31.5322 179.0565 83 K 3.9826 8.0275 118.2355 59.2029 31.8577 179.2779 84 A 4.0833 8.0965 121.3143 55.0319 18.2693 179.7208 85 L 4.0189 7.8252 117.4686 57.9889 41.2160 179.7916 86 S 4.1321 8.1128 115.0351 61.4915 62.4974 176.6142 87 A 4.0123 7.9354 122.5577 55.0401 18.5271 179.2770 88 A 4.1710 8.0141 120.6832 54.4824 18.1571 179.9623 89 K 3.9299 7.8355 116.3623 59.3516 32.1753 178.3661 90 A 4.5213 7.2928 117.4850 51.1305 19.0355 176.6288 91 S 4.6352 7.2851 112.5328 57.8923 65.6052 174.0059 92 T 4.3456 8.3294 113.5066 61.3197 69.6776 173.8979 93 D 4.5208 8.3387 124.4970 53.2391 41.4165 174.9984 94 P 4.6970 0.0000 0.0000 64.8238 31.1851 178.3306 95 A 4.0074 8.6081 120.3169 55.1107 17.7056 179.7680 96 T 3.9464 8.1605 108.7546 64.9591 68.9271 177.2060 97 G 3.6187 8.1412 108.2778 47.4765 0.0000 175.3161 98 Q 3.9878 8.2814 122.1001 58.6636 29.0691 178.1163 99 K 3.7617 8.3074 120.6956 59.3753 32.1833 178.5994 100 A 4.1828 7.9430 120.5600 55.3251 18.3541 179.5884 101 L 3.9763 7.8761 117.4391 58.0321 41.5076 179.5443 102 D 4.3373 8.2529 119.1081 57.5683 40.7331 178.4619 103 Y 4.4418 7.8541 117.1969 61.2205 37.8336 178.5206 104 I 3.8150 8.2317 120.7015 64.2776 37.1589 178.3311 105 A 4.0975 8.2262 121.7448 55.2848 18.2582 179.7540 106 Q 4.0391 8.0170 116.7265 59.1695 28.7236 179.0091 107 I 3.8181 7.9926 120.9856 64.2902 37.1312 177.9504 108 D 4.3575 8.6600 119.4898 57.1082 41.1913 178.1821 109 K 4.0983 8.2530 120.1642 59.7700 32.2767 178.8822 110 I 3.5181 7.6528 119.5618 64.0186 36.9919 177.9448 111 F 3.9808 8.5987 121.9697 61.4231 39.1793 177.4325 112 W 4.1668 8.1975 118.1585 59.5773 28.9097 178.4625 113 E 4.1167 8.1787 118.7617 59.6203 28.7104 179.3677 114 T 4.0817 7.7826 108.5461 64.2011 68.9654 176.7362 115 K 4.0535 7.3640 120.9923 59.0960 32.1910 179.0214 116 K 4.1878 8.1433 117.8348 59.3172 32.7941 176.8428 117 A 4.1810 7.7612 126.4852 52.4910 18.2954 176.8402 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 H 8.43 4.62 0.00 3.23 3.26 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.95 4.14 0.00 3.13 2.96 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 3 D 8.38 4.60 0.00 2.88 2.86 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 0.00 0.00 0.00 4 L 8.11 4.08 0.00 1.62 1.77 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.60 0.00 2.29 2.10 0.00 3.81 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 2.00 1.98 0.00 6 C 8.50 4.35 0.00 3.04 3.05 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 0.00 0.00 0.00 0.00 7 G 8.30 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.21 4.25 1.83 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 0.72 0.00 0.00 0.88 0.00 0.00 9 Y 8.02 4.63 0.00 2.77 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 10 D 7.96 3.64 0.00 2.57 2.37 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 11 P 0.00 4.01 0.00 2.21 1.87 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.00 12 A 8.50 3.97 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 13 Q 8.11 3.78 0.00 1.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 14 A 7.78 4.08 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 15 R 8.23 3.85 0.00 1.88 2.08 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 16 I 7.98 3.87 1.87 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 0.96 0.92 0.00 0.00 17 E 7.98 3.99 0.00 2.21 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 2.57 2.56 0.00 18 A 8.22 4.08 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 19 E 8.49 3.97 0.00 2.21 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 2.59 0.00 20 S 8.03 4.12 0.00 4.09 3.92 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 0.00 0.00 0.00 21 V 7.75 3.56 2.29 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 1.00 0.00 0.00 0.97 0.00 0.00 22 K 8.07 4.11 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.61 7.81 23 A 8.26 4.05 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 24 I 8.15 3.72 2.02 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 1.53 0.77 0.89 0.00 0.00 25 Q 8.12 4.02 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 26 E 8.35 4.02 0.00 2.21 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 2.62 0.00 27 K 8.18 4.15 0.00 2.18 2.16 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.74 7.81 28 M 8.20 4.46 0.00 2.03 2.32 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 2.87 2.45 0.00 29 A 7.75 4.34 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 30 A 7.64 4.40 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 31 N 7.75 4.64 0.00 2.27 2.39 0.00 0.00 7.06 8.47 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 32 D 8.64 4.74 0.00 2.85 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 33 D 8.45 4.42 0.00 2.92 2.76 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 34 L 8.65 3.94 0.00 1.79 1.64 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.32 4.21 0.00 3.48 3.40 0.00 5.87 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 36 F 8.50 4.22 0.00 3.20 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 37 Q 8.40 3.94 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 38 I 7.79 3.64 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.88 0.00 0.00 39 R 7.95 3.81 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 40 A 7.92 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.76 3.73 4.32 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 1.17 0.00 0.00 42 V 7.87 3.55 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 1.01 0.00 0.00 0.95 0.00 0.00 43 I 7.91 4.02 1.86 0.00 0.00 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 1.36 0.91 0.89 0.00 0.00 44 K 8.39 3.89 0.00 1.81 1.96 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.23 3.89 0.00 2.29 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 2.29 2.39 0.00 46 Q 7.86 3.97 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 47 R 8.24 4.01 0.00 1.82 2.10 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 48 A 8.30 3.99 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 49 E 8.22 3.87 0.00 2.19 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 0.00 2.29 2.38 0.00 50 L 7.96 3.92 0.00 1.96 1.69 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.24 4.05 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 52 K 8.26 3.90 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.64 7.81 53 H 8.38 4.12 0.00 3.21 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.36 4.24 0.00 3.37 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.05 4.09 0.00 1.88 1.77 0.94 1.17 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 56 D 8.60 4.52 0.00 2.88 2.85 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 57 V 8.03 3.74 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 1.28 0.00 0.00 0.91 0.00 0.00 58 L 8.05 3.97 0.00 2.11 1.72 0.77 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.56 4.64 0.00 3.49 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 60 S 8.74 4.07 0.00 4.05 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 0.00 61 D 8.31 4.72 0.00 3.02 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 62 Y 7.60 3.32 0.00 1.43 2.45 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 63 F 8.06 3.95 0.00 2.96 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 0.00 0.00 0.00 0.00 64 K 8.21 4.50 0.00 1.44 1.56 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.17 7.81 65 P 0.00 4.45 0.00 2.15 2.16 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 66 P 0.00 4.26 0.00 2.01 2.04 0.00 3.39 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 2.13 0.00 67 H 8.08 4.29 0.00 2.94 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.50 4.25 0.00 3.17 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 69 E 7.99 4.28 0.00 2.12 2.01 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 2.55 2.36 0.00 70 S 8.25 4.31 0.00 3.74 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 71 Y 8.01 4.57 0.00 2.96 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 72 P 0.00 4.44 0.00 2.07 2.17 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 73 E 8.16 4.38 0.00 2.17 2.25 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 2.39 2.30 0.00 74 L 8.24 3.89 0.00 1.80 1.88 0.47 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.48 4.41 0.00 3.28 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.98 3.84 4.40 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 1.24 0.00 0.00 77 L 8.29 3.96 0.00 1.84 1.90 1.07 0.78 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 78 V 7.96 3.57 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 0.94 0.00 0.00 1.19 0.00 0.00 79 N 8.05 4.04 0.00 2.73 2.75 0.00 0.00 7.22 6.95 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 80 E 8.27 3.73 0.00 1.36 1.12 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 2.15 2.38 0.00 81 A 7.45 3.86 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 82 V 7.76 3.59 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 0.83 0.00 0.00 0.87 0.00 0.00 83 K 8.03 3.98 0.00 1.92 1.80 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 84 A 8.10 4.08 1.57 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 0.00 0.00 85 L 7.83 4.02 0.00 1.94 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.11 4.13 0.00 4.04 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 87 A 7.94 4.01 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 88 A 8.01 4.17 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 89 K 7.84 3.93 0.00 1.99 2.00 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.29 4.52 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 91 S 7.29 4.64 0.00 3.81 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 92 T 8.33 4.35 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 1.21 0.00 0.00 93 D 8.34 4.52 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.61 4.01 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 96 T 8.16 3.95 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 1.22 0.00 0.00 97 G 8.14 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 0.00 0.00 0.00 98 Q 8.28 3.99 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.31 3.76 0.00 1.95 1.98 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.30 7.81 100 A 7.94 4.18 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 0.00 101 L 7.88 3.98 0.00 1.92 1.74 0.93 1.12 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 0.00 102 D 8.25 4.34 0.00 2.59 2.53 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 0.00 103 Y 7.85 4.44 0.00 3.22 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 0.00 104 I 8.23 3.81 2.07 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 1.51 0.89 0.94 0.00 0.00 105 A 8.23 4.10 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 0.00 106 Q 8.02 4.04 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 107 I 7.99 3.82 2.10 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 1.47 0.94 1.09 0.00 0.00 108 D 8.66 4.36 0.00 2.82 2.96 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 0.00 109 K 8.25 4.10 0.00 2.07 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.58 7.81 110 I 7.65 3.52 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.81 -0.08 0.00 0.00 111 F 8.60 3.98 0.00 3.01 2.95 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 0.00 112 W 8.20 4.17 0.00 3.55 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 0.00 113 E 8.18 4.12 0.00 2.29 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 0.00 2.44 2.55 0.00 114 T 7.78 4.08 4.05 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 0.00 0.00 0.00 1.25 0.00 0.00 115 K 7.36 4.05 0.00 1.98 1.94 0.00 1.51 0.00 0.00 1.04 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.42 0.39 7.81 116 K 8.14 4.19 0.00 1.97 2.02 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.50 7.81 117 A 7.76 4.18 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