NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6769 8.4293 120.3934 55.3021 30.4815 174.8036 6 E 4.5501 8.8654 109.5583 52.5705 32.3095 174.7144 7 T 4.2187 8.8074 111.2922 61.4479 71.9089 176.3580 8 D 4.4100 8.5682 121.4695 57.6306 40.8108 178.9518 9 E 4.0513 8.1723 118.6827 59.4986 29.5615 179.0992 10 E 4.0345 8.0495 117.9182 59.0805 29.6235 179.1111 11 F 4.1700 8.3725 120.7966 61.4867 39.5204 176.5915 12 D 4.5679 8.6633 118.4196 57.5854 40.7015 178.9246 13 A 4.0180 8.2096 120.8061 55.5001 18.5429 179.7293 14 R 3.7825 7.9287 116.3359 59.3851 30.0588 179.3542 15 W 3.9930 7.9354 118.1219 59.2057 29.1542 178.9745 16 V 3.8021 8.2298 118.5466 66.4562 30.8320 178.0813 17 T 3.8833 8.1246 114.5185 66.8222 68.6439 175.5295 18 Y 3.9721 7.7167 120.9618 60.7847 38.6324 178.0697 19 F 4.6330 8.1005 116.1374 59.4670 39.2747 176.6929 20 N 4.7682 7.8810 114.7472 52.7119 39.1194 175.1035 21 K 3.8075 7.1899 121.7900 56.1467 32.6429 174.8133 22 P 4.2565 0.0000 0.0000 65.8438 31.2361 177.5721 23 D 4.8057 7.7665 114.4842 53.1275 39.9291 176.1392 24 I 3.7963 7.4030 120.4479 62.0403 38.5042 175.9169 25 D 4.8164 8.5803 127.6287 51.9746 42.5079 177.2860 26 A 4.0492 8.4697 120.2054 55.0514 18.2468 179.4065 27 W 4.0210 8.3801 126.2834 60.9024 30.9412 177.9644 28 E 4.4193 9.4451 118.8591 59.1660 28.7962 179.3072 29 L 4.2807 8.0092 120.6411 58.3649 42.1876 179.2082 30 R 3.8933 8.1821 118.2041 59.0497 29.9714 178.9321 31 K 3.6743 8.1901 119.9705 59.2131 31.9817 179.0466 32 G 3.8339 8.3512 105.8987 48.3080 0.0000 175.6690 33 M 4.1093 8.3169 121.7466 58.1373 31.7998 178.7357 34 N 4.3309 8.2540 115.7477 56.2947 38.9039 177.4079 35 T 3.9495 7.8692 117.3975 66.2524 68.7175 176.7049 36 L 3.5512 7.8223 122.8812 58.0664 42.0941 178.7411 37 V 3.8993 7.5059 108.8790 62.2470 31.3946 177.1124 38 G 3.5637 7.4315 109.3001 47.1984 0.0000 174.2312 39 Y 4.5107 6.9793 116.8753 57.7119 38.9413 175.8010 40 D 4.6396 8.2662 122.6427 51.0526 39.6996 174.9350 41 L 4.2963 6.9950 119.3469 55.1326 42.8055 174.4933 42 V 4.2444 8.2257 119.7117 60.3394 32.6796 174.0367 43 P 4.4628 0.0000 0.0000 62.3238 32.0765 176.1412 44 E 4.2085 8.7360 120.8294 56.0097 30.3400 176.3433 45 P 4.2641 0.0000 0.0000 65.8226 31.3307 179.1444 46 K 4.1496 8.0848 116.9866 60.0406 32.4223 179.1946 47 I 3.9590 7.9716 121.0718 64.2150 37.0376 178.3660 48 I 3.6078 7.7020 120.2836 64.2217 36.9373 177.3840 49 D 4.2590 8.5929 119.1525 57.5049 41.0316 178.0550 50 A 4.0501 8.0170 120.1916 55.4572 18.5505 179.5316 51 A 3.5651 7.8315 118.9917 55.0185 18.3516 179.9077 52 L 3.8922 8.0357 117.7307 57.9352 41.5766 179.9506 53 R 3.9360 8.1194 117.8837 59.1475 29.9803 178.9057 54 A 4.0362 8.1126 120.6424 55.3654 18.3296 179.4074 55 C 4.0807 7.9148 114.9205 62.8526 28.0833 176.3377 56 R 3.8894 7.8380 120.0194 59.6928 29.5733 178.9048 57 R 3.9759 8.1675 116.3209 58.3498 30.0214 177.9951 58 L 4.5332 7.5689 116.5142 53.0764 42.4864 175.8354 59 N 4.1717 8.1484 115.5726 54.8259 36.6314 175.2025 60 D 4.8352 8.2055 117.8425 52.1826 41.4302 175.3933 61 F 4.2273 8.6425 126.8317 60.6123 39.7257 175.9763 62 A 3.9910 8.2512 120.0243 55.6475 18.0603 179.6764 63 S 4.0248 8.6713 113.3413 61.4814 62.6846 176.7470 64 A 3.8194 7.5686 123.4148 55.1592 18.0752 179.9210 65 V 3.3731 7.1257 116.2067 65.8982 31.6463 178.0398 66 R 4.5219 7.7763 119.9216 58.9662 29.9596 178.5900 67 I 3.6470 7.8583 119.7850 64.3442 37.1868 178.4440 68 L 4.1020 7.6968 119.9041 57.6306 41.4971 179.3843 69 E 3.8170 8.0813 119.0117 59.2949 29.4110 179.7537 70 V 3.5800 7.8679 119.2642 64.7674 31.1695 178.5949 71 V 3.6504 7.4689 117.8854 65.5282 31.7023 177.6774 72 K 3.9466 7.7678 119.1937 59.2718 31.8770 178.2644 73 D 4.2410 8.1283 118.4738 57.4324 40.9666 178.4581 74 K 3.9044 8.3240 117.4714 58.9975 32.2877 178.3945 75 A 4.2701 8.0729 120.0236 50.8816 18.6736 179.0657 76 G 3.7353 8.5107 106.4023 46.0819 0.0000 175.5364 77 P 4.3511 0.0000 0.0000 64.8445 31.7528 176.8078 78 H 4.5975 7.8600 118.2947 54.3500 26.5767 175.8445 79 K 4.0641 8.1940 121.9376 58.4525 32.2213 177.6878 80 E 4.3929 8.0754 115.5999 57.0450 30.7615 178.4173 81 I 3.7108 8.0813 121.9738 64.6529 37.3338 177.0718 82 Y 4.3367 8.1320 119.8102 60.6824 38.5987 176.2205 83 P 4.1252 0.0000 0.0000 65.9016 31.3731 177.9442 84 Y 4.0529 7.6343 117.9989 60.4717 38.6838 177.9474 85 V 3.3678 7.9051 119.2814 65.9675 31.4591 178.0104 86 I 3.4572 7.5621 118.7587 64.1619 37.0238 177.8036 87 Q 3.9717 7.6595 120.2801 59.4463 28.7243 178.5445 88 E 3.8817 7.7087 117.6988 58.3225 29.6671 178.2843 89 L 4.4197 7.4432 117.4992 54.1810 42.1906 177.8943 90 R 3.8204 7.5116 120.3395 59.2018 29.8633 176.1899 91 P 4.2252 0.0000 0.0000 66.0819 31.4325 178.7290 92 T 3.8889 7.7969 113.7889 66.6663 68.3573 176.6167 93 L 4.0426 8.6024 121.2459 57.6981 41.4261 179.5057 94 N 4.2975 8.2676 116.4388 56.2806 38.3878 176.8295 95 E 3.9168 8.2345 120.0561 59.2301 29.6432 177.8723 96 L 4.2868 7.9683 115.3469 54.4899 42.1333 177.0664 97 G 3.8117 7.6576 106.7859 46.4741 0.0000 173.9126 98 I 4.4627 7.9794 121.8145 60.2998 37.0109 176.1926 99 S 4.7212 9.0000 122.5724 57.7466 63.9760 174.7206 100 T 4.2362 8.8123 114.7201 60.6293 69.6460 173.5825 101 P 4.2502 0.0000 0.0000 66.1239 31.1454 178.6388 102 E 4.3767 8.1086 117.7275 59.2045 29.3367 179.1528 103 E 4.0082 7.8793 116.3635 58.8500 29.5825 178.5092 104 L 4.5430 7.8179 116.0467 53.7156 42.2916 176.8250 105 G 3.9150 8.0792 107.2649 46.5435 0.0000 174.7319 106 L 4.2815 8.2767 119.0547 55.2235 41.6069 177.3273 107 D 4.6405 7.9342 118.1351 52.9388 40.2793 175.6936 108 K 4.6115 7.6393 120.0040 55.2713 34.1452 176.8583 109 V 3.7786 8.3345 115.1735 61.7099 31.4275 175.9348 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 5 H 8.43 4.68 0.00 3.11 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.87 4.55 0.00 2.33 1.88 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 2.25 2.50 0.00 7 T 8.81 4.22 4.54 0.00 0.00 0.00 0.00 0.00 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 8 D 8.57 4.41 0.00 2.73 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 9 E 8.17 4.05 0.00 2.10 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 0.00 2.43 2.50 0.00 10 E 8.05 4.03 0.00 2.25 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 0.00 2.35 2.35 0.00 11 F 8.37 4.17 0.00 3.11 3.28 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 12 D 8.66 4.57 0.00 3.05 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 13 A 8.21 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.78 0.00 1.74 1.54 0.00 2.91 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 15 W 7.94 3.99 0.00 3.30 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 16 V 8.23 3.80 2.39 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 1.11 0.00 0.00 1.14 0.00 0.00 17 T 8.12 3.88 4.37 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 1.18 0.00 0.00 18 Y 7.72 3.97 0.00 2.78 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 19 F 8.10 4.63 0.00 3.28 3.23 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 20 N 7.88 4.77 0.00 2.89 2.89 0.00 0.00 6.89 7.54 0.00 0.00 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 7.19 3.81 0.00 1.69 1.57 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 22 P 0.00 4.26 0.00 2.06 2.13 0.00 3.69 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 2.11 0.00 23 D 7.77 4.81 0.00 2.77 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 24 I 7.40 3.80 1.87 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 1.36 0.85 1.00 0.00 0.00 25 D 8.58 4.82 0.00 3.03 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 26 A 8.47 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 4.02 0.00 3.45 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.45 4.42 0.00 2.23 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 0.00 2.72 2.83 0.00 29 L 8.01 4.28 0.00 1.91 1.94 1.06 1.04 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 30 R 8.18 3.89 0.00 1.81 1.83 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 31 K 8.19 3.67 0.00 0.79 1.66 0.00 1.23 0.00 0.00 1.24 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.40 7.81 32 G 8.35 3.83 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 0.00 33 M 8.32 4.11 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.77 0.00 34 N 8.25 4.33 0.00 2.65 2.80 0.00 0.00 7.13 7.62 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 35 T 7.87 3.95 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 1.30 0.00 0.00 36 L 7.82 3.55 0.00 1.14 1.53 0.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.51 3.90 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 0.62 0.00 0.00 0.93 0.00 0.00 38 G 7.43 3.56 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 0.00 0.00 0.00 39 Y 6.98 4.51 0.00 2.97 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 40 D 8.27 4.64 0.00 2.64 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 41 L 6.99 4.30 0.00 1.67 1.48 0.99 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 4.24 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 0.90 0.00 0.00 0.95 0.00 0.00 43 P 0.00 4.46 0.00 2.08 1.97 0.00 3.75 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 1.98 2.10 0.00 44 E 8.74 4.21 0.00 2.09 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 2.50 2.74 0.00 45 P 0.00 4.26 0.00 2.13 2.03 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 46 K 8.08 4.15 0.00 2.03 2.11 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.62 7.81 47 I 7.97 3.96 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.63 1.16 0.00 0.00 48 I 7.70 3.61 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.86 0.86 0.00 0.00 49 D 8.59 4.26 0.00 2.78 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 50 A 8.02 4.05 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 51 A 7.83 3.57 0.57 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 52 L 8.04 3.89 0.00 1.84 1.68 0.87 0.82 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 53 R 8.12 3.94 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 54 A 8.11 4.04 1.56 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 0.00 0.00 55 C 7.91 4.08 0.00 3.26 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 56 R 7.84 3.89 0.00 1.98 2.20 0.00 3.19 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 1.65 1.74 0.00 57 R 8.17 3.98 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 58 L 7.57 4.53 0.00 1.66 1.71 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.15 4.17 0.00 2.84 2.89 0.00 0.00 6.62 8.91 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 60 D 8.21 4.84 0.00 2.59 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 61 F 8.64 4.23 0.00 3.21 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 62 A 8.25 3.99 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 63 S 8.67 4.02 0.00 3.96 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 64 A 7.57 3.82 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.13 3.37 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 0.98 0.00 0.00 0.51 0.00 0.00 66 R 7.78 4.52 0.00 2.02 1.99 0.00 3.30 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 67 I 7.86 3.65 1.95 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 1.42 1.09 0.80 0.00 0.00 68 L 7.70 4.10 0.00 1.78 1.89 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.08 3.82 0.00 2.17 1.91 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 2.24 2.25 0.00 70 V 7.87 3.58 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 0.87 0.00 0.00 0.87 0.00 0.00 71 V 7.47 3.65 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 0.93 0.00 0.00 1.00 0.00 0.00 72 K 7.77 3.95 0.00 0.84 1.51 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.09 7.81 73 D 8.13 4.24 0.00 2.74 2.75 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 74 K 8.32 3.90 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.58 7.81 75 A 8.07 4.27 1.48 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 0.00 0.00 0.00 76 G 8.51 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 77 P 0.00 4.35 0.00 2.07 2.12 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 78 H 7.86 4.60 0.00 3.33 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.19 4.06 0.00 1.76 1.92 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.40 7.81 80 E 8.08 4.39 0.00 2.13 2.21 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 2.33 2.25 0.00 81 I 8.08 3.71 1.95 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 1.39 0.92 1.00 0.00 0.00 82 Y 8.13 4.34 0.00 2.94 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 83 P 0.00 4.13 0.00 2.23 2.11 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 84 Y 7.63 4.05 0.00 2.87 3.06 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 85 V 7.91 3.37 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 0.96 0.00 0.00 1.16 0.00 0.00 86 I 7.56 3.46 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.01 0.72 0.00 0.00 87 Q 7.66 3.97 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 88 E 7.71 3.88 0.00 1.83 1.79 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 1.57 1.59 0.00 89 L 7.44 4.42 0.00 1.60 1.62 0.87 0.78 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 90 R 7.51 3.82 0.00 2.06 1.90 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 P 0.00 4.23 0.00 2.17 2.07 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 92 T 7.80 3.89 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 1.20 0.00 0.00 93 L 8.60 4.04 0.00 1.74 1.90 0.87 0.86 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 94 N 8.27 4.30 0.00 2.99 2.85 0.00 0.00 6.58 6.98 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 95 E 8.23 3.92 0.00 1.99 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 2.34 2.31 0.00 96 L 7.97 4.29 0.00 1.73 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.66 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 0.00 0.00 0.00 98 I 7.98 4.46 1.91 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 1.33 0.67 0.85 0.00 0.00 99 S 9.00 4.72 0.00 4.09 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 0.00 100 T 8.81 4.24 4.49 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 1.23 0.00 0.00 101 P 0.00 4.25 0.00 2.17 2.15 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 102 E 8.11 4.38 0.00 2.12 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 0.00 2.50 2.63 0.00 103 E 7.88 4.01 0.00 2.15 2.07 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 2.38 2.40 0.00 104 L 7.82 4.54 0.00 1.66 1.77 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.08 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 0.00 106 L 8.28 4.28 0.00 1.74 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.93 4.64 0.00 2.83 2.88 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 0.00 108 K 7.64 4.61 0.00 1.88 1.85 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.44 7.81 109 V 8.33 3.78 2.07 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 0.66 0.00 0.00 0.92 0.00 0.00