NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3196 8.1233 122.4542 52.1299 20.6344 175.1682 2 T 4.8097 8.2118 115.3950 61.6582 71.3199 172.2399 3 H 4.8459 9.2023 121.6306 53.9200 33.3847 171.5746 4 E 4.8960 8.7322 122.9588 54.2905 31.9068 174.9470 5 V 4.5188 8.5855 126.5115 61.4693 34.6832 173.8525 6 H 5.4684 9.3015 125.3211 54.9870 31.1426 173.9917 7 M 4.7274 8.9277 122.0284 53.9077 33.5892 175.1897 8 L 5.0117 8.5251 123.5373 52.9730 45.8576 177.6796 9 N 4.4060 9.4501 119.5739 55.5935 39.8928 175.4588 10 K 4.7893 7.9628 119.0591 54.8447 34.5331 174.7496 11 G 4.4361 8.8171 118.5156 43.9586 0.0000 172.6850 12 E 4.1125 9.2134 118.6417 58.2137 29.5654 177.9037 13 S 4.6544 8.3398 111.2747 57.0980 65.1029 174.2865 14 G 3.8410 6.4984 107.2534 46.1816 0.0000 171.0289 15 A 4.9467 8.3006 121.9782 51.6693 21.0037 176.6917 16 M 3.2287 8.7847 119.0514 56.1898 29.5281 176.2955 17 V 4.5966 8.2644 113.0837 59.3495 36.9844 174.6588 18 F 4.9255 8.8191 121.3795 56.5001 40.5986 175.1604 19 E 4.7849 9.7608 124.2820 53.7153 32.4978 172.9633 20 P 4.8496 0.0000 0.0000 63.0662 32.1538 176.3300 21 A 4.5766 8.8943 121.9672 53.0744 20.1244 176.4961 22 F 5.3459 8.1614 117.2678 56.2247 42.3591 174.1229 23 V 4.0385 7.7331 125.2032 60.8642 34.6785 173.9922 24 R 4.5277 8.3516 128.0639 54.9750 30.9196 174.5748 25 A 4.8307 8.5766 128.2209 50.0038 23.0423 173.9023 26 E 4.9783 9.2723 119.1600 53.4711 33.2124 173.7087 27 P 4.5205 0.0000 0.0000 64.3733 31.8008 177.1413 28 G 3.9412 9.3182 111.1748 45.0915 0.0000 173.3628 29 D 4.7667 7.7604 119.4922 53.9225 42.6200 175.3280 30 V 4.6237 8.6097 121.1800 61.2072 34.3440 174.4027 31 I 4.5856 8.9490 129.0216 59.6058 39.8464 174.1304 32 N 5.0823 9.0501 125.8522 51.7214 40.5535 174.3443 33 F 5.0844 9.5243 124.3785 56.3992 40.5953 175.0985 34 V 4.6883 9.0302 125.9266 60.4612 33.4221 173.2167 35 P 4.8950 0.0000 0.0000 62.6380 30.1112 175.9664 36 T 4.1403 8.5922 124.2072 65.9284 69.1098 174.4283 37 D 5.0436 7.8366 119.1434 52.0819 44.0287 175.8202 38 K 4.3765 8.2763 120.6299 56.7816 33.0393 177.5323 39 S 4.3789 9.9097 115.1762 58.1720 62.1696 168.2700 40 H 5.1924 7.7008 117.5881 54.6106 31.8106 172.6220 41 N 5.5034 8.3187 116.7129 51.9199 41.5125 172.9411 42 V 4.9299 8.5264 117.3546 60.0911 34.6745 174.3371 43 E 4.7971 9.2165 124.6247 53.8732 33.3004 174.3416 44 A 3.9090 7.3309 127.9223 51.8239 19.3941 177.6614 45 I 3.8182 8.3853 123.0521 59.7661 37.1689 176.7234 46 K 3.7003 8.7314 127.9979 59.5934 32.0924 178.6643 47 E 4.0883 8.1360 116.7514 58.5075 30.0732 177.2005 48 I 4.4980 7.7697 121.0320 59.2154 36.0484 174.5055 49 L 4.7539 7.4248 121.5512 52.0735 46.1077 175.0995 50 P 4.3577 0.0000 0.0000 61.9392 32.8733 175.4839 51 E 3.8392 8.4952 122.7821 57.8641 29.8797 177.3444 52 G 3.9630 9.0408 114.0181 45.2870 0.0000 173.0657 53 V 4.3599 6.9752 113.1207 59.3214 33.1432 175.9214 54 E 4.1961 8.6299 124.1051 55.9813 30.1067 176.9214 55 S 4.3408 8.4382 116.9523 58.3680 63.3867 173.0697 56 F 5.1148 7.5631 118.5981 55.3390 41.6744 173.5004 57 K 4.6880 8.4176 121.4442 55.5190 34.5402 175.5062 58 S 4.6900 8.3395 122.8065 56.8870 65.2854 174.1513 59 K 4.3253 8.3916 119.4042 55.4174 32.8942 176.9803 60 I 4.0248 8.0348 122.1955 63.0388 37.4478 176.3174 61 N 4.3799 8.8601 120.0739 53.7364 36.8188 173.8751 62 E 4.8469 7.6951 116.9360 54.6569 31.7965 176.2147 63 S 4.8257 8.6153 117.9708 58.8489 64.3717 173.0957 64 Y 4.8041 9.0146 122.7547 56.4000 42.3817 173.8691 65 T 4.7235 7.7918 122.9192 61.8261 70.4245 173.3147 66 L 4.2572 8.8948 130.1620 53.5404 44.0646 175.1448 67 T 4.6405 8.2653 123.5018 62.2172 69.9327 174.6524 68 V 3.9334 8.4187 121.5657 60.8904 32.3607 176.7328 69 T 4.1599 8.7144 121.7721 65.1915 69.8740 175.4154 70 E 4.2569 8.0943 119.7090 55.2277 30.2074 175.1062 71 P 4.5726 0.0000 0.0000 62.8177 32.5006 175.0215 72 G 3.8803 7.9877 105.2426 43.7877 0.0000 172.1919 73 L 5.1546 8.7675 120.3452 53.6830 43.3251 176.4015 74 Y 4.8014 9.6308 121.1497 56.3052 40.7893 174.7757 75 G 4.4424 9.1798 112.7454 44.8766 0.0000 172.8087 76 V 4.9967 8.9757 117.1966 59.2635 36.1644 174.6063 77 K 5.1482 8.8584 121.2085 55.8016 37.0055 174.5397 78 C 5.0915 8.6820 121.0896 57.7256 32.3580 174.2465 79 T 3.8192 8.8039 124.4624 66.4280 68.1259 174.1287 80 P 4.3759 0.0000 0.0000 64.9075 31.8827 176.5299 81 H 5.0184 8.1992 115.7830 55.4892 29.6321 175.3786 82 F 4.5057 8.7311 124.6518 61.5495 39.1900 177.6914 83 G 3.6096 8.2261 107.4612 48.5605 0.0000 173.7695 84 M 4.2336 7.9916 116.9449 55.2411 32.1449 176.7182 85 G 3.9270 8.4701 107.5070 45.9611 0.0000 174.9928 86 M 4.7074 7.9371 121.7509 53.8084 30.2592 175.2540 87 V 5.2340 8.1446 114.4394 59.1897 36.0413 174.8874 88 G 4.2967 9.2540 108.7749 44.6610 0.0000 171.2007 89 L 5.4126 9.3644 122.3451 53.0294 45.8968 175.2131 90 V 4.5807 9.1926 125.9320 61.0252 34.5538 173.6871 91 Q 4.8631 8.7256 129.6212 54.5404 31.0723 174.2757 92 V 4.4491 9.0257 128.5557 62.6131 32.9678 176.7093 93 G 4.2425 8.7277 116.2916 44.9823 0.0000 171.6902 94 D 4.5416 8.3713 118.1325 53.5132 42.0180 177.2330 95 A 3.8403 8.3996 117.4168 52.5058 15.0679 173.5037 96 P 4.3187 0.0000 0.0000 62.0931 32.2539 177.6627 97 E 4.0400 8.9517 124.6889 58.6000 30.0225 176.6680 98 N 4.8919 7.9184 115.0616 52.5430 38.1376 176.4284 99 L 3.9613 7.6229 122.4578 59.4235 41.8630 178.4312 100 D 4.4556 8.0933 117.5629 56.6887 40.7419 178.4278 101 A 3.9968 7.9564 121.7774 54.9644 18.2026 179.4871 102 A 3.9572 7.8871 117.8740 55.2947 18.6266 179.6253 103 K 4.1523 8.0837 116.2936 58.5294 32.2321 177.9992 104 T 4.4112 7.3305 106.1873 60.6311 69.9110 174.3187 105 A 3.9388 8.0353 126.2939 52.5308 18.7008 177.1989 106 K 4.1507 8.6161 125.0049 56.3590 32.8361 175.7384 107 M 4.6436 8.1938 121.7069 52.1936 33.9371 172.8795 108 P 4.0980 0.0000 0.0000 62.5824 32.8533 177.1914 109 K 3.7843 8.6967 122.2719 60.5972 32.1989 179.3234 110 K 3.9146 7.9613 118.9977 58.8100 31.9338 179.0845 111 A 4.0327 7.7375 120.6493 55.0915 18.3378 179.5207 112 R 3.8604 8.1586 117.4403 59.5550 30.0161 178.6424 113 E 3.9961 8.5081 118.8240 59.4837 29.4604 179.5623 114 R 4.0096 8.1949 118.1745 59.1699 30.1512 178.6860 115 M 4.1150 8.5010 118.5959 58.8126 31.8355 178.0308 116 D 4.4281 8.2389 118.8640 57.2766 40.7239 178.6646 117 A 4.0076 7.4999 120.6692 55.2168 18.6977 179.2775 118 E 4.0438 8.2669 117.1584 59.4156 29.5792 179.5049 119 L 4.0231 8.4410 119.1796 57.3769 41.4236 178.9005 120 A 4.1386 7.4759 118.7316 53.7463 18.4011 178.3611 121 Q 4.0594 7.2449 115.0359 54.5475 29.4648 176.0917 122 V 3.8142 6.7391 121.3585 63.7892 32.2266 175.5499 123 N 4.7355 8.9235 123.3179 53.8419 38.7835 174.0832 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 A 8.12 4.32 1.16 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 2 T 8.21 4.81 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 1.14 0.00 0.00 3 H 9.20 4.85 0.00 2.81 2.98 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.73 4.90 0.00 1.85 1.69 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 2.00 2.17 0.00 5 V 8.59 4.52 1.81 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 1.25 0.00 0.00 0.68 0.00 0.00 6 H 9.30 5.47 0.00 3.24 3.18 0.00 5.65 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 7 M 8.93 4.73 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 8 L 8.53 5.01 0.00 1.50 1.48 0.95 0.77 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 9 N 9.45 4.41 0.00 2.73 2.85 0.00 0.00 6.52 7.84 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 10 K 7.96 4.79 0.00 1.62 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.48 7.81 11 G 8.82 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.21 4.11 0.00 1.96 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 2.41 0.00 13 S 8.34 4.65 0.00 3.98 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 14 G 6.50 3.84 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 0.00 15 A 8.30 4.95 1.22 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 16 M 8.78 3.23 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 17 V 8.26 4.60 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 0.85 0.00 0.00 0.99 0.00 0.00 18 F 8.82 4.93 0.00 3.07 3.10 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 19 E 9.76 4.78 0.00 2.01 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 0.00 2.26 2.30 0.00 20 P 0.00 4.85 0.00 2.37 2.09 0.00 3.94 0.00 0.00 3.68 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 21 A 8.89 4.58 1.50 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 22 F 8.16 5.35 0.00 3.04 3.08 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 0.00 0.00 0.00 23 V 7.73 4.04 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 0.60 0.00 0.00 0.77 0.00 0.00 24 R 8.35 4.53 0.00 1.75 1.77 0.00 3.46 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 25 A 8.58 4.83 1.01 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 0.00 0.00 26 E 9.27 4.98 0.00 2.11 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 2.18 2.29 0.00 27 P 0.00 4.52 0.00 2.08 2.23 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 28 G 9.32 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.76 4.77 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.62 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 0.93 0.00 0.00 0.85 0.00 0.00 31 I 8.95 4.59 1.60 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 0.17 0.00 0.00 32 N 9.05 5.08 0.00 2.49 2.67 0.00 0.00 6.52 8.00 0.00 0.00 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 F 9.52 5.08 0.00 3.15 3.21 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 34 V 9.03 4.69 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 1.15 0.00 0.00 1.02 0.00 0.00 35 P 0.00 4.89 0.00 2.18 2.18 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 36 T 8.59 4.14 4.36 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 1.16 0.00 0.00 37 D 7.84 5.04 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.38 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 39 S 9.91 4.38 0.00 3.99 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 40 H 7.70 5.19 0.00 3.07 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.32 5.50 0.00 2.84 2.88 0.00 0.00 5.48 7.68 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 42 V 8.53 4.93 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 0.57 0.00 0.00 0.06 0.00 0.00 43 E 9.22 4.80 0.00 1.75 1.49 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 1.84 2.10 0.00 44 A 7.33 3.91 0.34 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 45 I 8.39 3.82 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 0.90 0.50 0.92 0.00 0.00 46 K 8.73 3.70 0.00 1.67 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 47 E 8.14 4.09 0.00 1.94 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 2.32 2.38 0.00 48 I 7.77 4.50 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 1.24 0.84 1.00 0.00 0.00 49 L 7.42 4.75 0.00 1.37 1.37 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.36 0.00 1.84 2.04 0.00 2.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.71 0.00 51 E 8.50 3.84 0.00 1.88 1.84 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 2.28 2.36 0.00 52 G 9.04 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 53 V 6.98 4.36 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 0.67 0.00 0.00 1.08 0.00 0.00 54 E 8.63 4.20 0.00 2.05 1.97 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 2.36 2.29 0.00 55 S 8.44 4.34 0.00 3.76 3.73 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 56 F 7.56 5.11 0.00 2.95 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 57 K 8.42 4.69 0.00 1.59 1.61 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.31 7.81 58 S 8.34 4.69 0.00 3.99 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 59 K 8.39 4.33 0.00 2.02 1.77 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 60 I 8.03 4.02 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.45 0.90 0.00 0.00 61 N 8.86 4.38 0.00 2.91 2.99 0.00 0.00 6.88 7.26 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 62 E 7.70 4.85 0.00 2.16 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 2.30 2.30 0.00 63 S 8.62 4.83 0.00 3.82 3.86 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 64 Y 9.01 4.80 0.00 3.16 2.99 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 65 T 7.79 4.72 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 1.05 0.00 0.00 66 L 8.89 4.26 0.00 1.71 1.64 0.33 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.27 4.64 4.16 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 1.15 0.00 0.00 68 V 8.42 3.93 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 -0.14 0.00 0.00 0.87 0.00 0.00 69 T 8.71 4.16 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 1.23 0.00 0.00 70 E 8.09 4.26 0.00 2.03 1.90 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 2.38 2.26 0.00 71 P 0.00 4.57 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 72 G 7.99 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 0.00 0.00 0.00 73 L 8.77 5.15 0.00 1.62 1.69 0.98 0.89 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 74 Y 9.63 4.80 0.00 2.82 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 75 G 9.18 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.98 5.00 1.59 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 0.76 0.00 0.00 0.29 0.00 0.00 77 K 8.86 5.15 0.00 1.46 1.48 0.00 0.61 0.00 0.00 0.67 0.00 0.00 2.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.15 1.03 7.81 78 C 8.68 5.09 0.00 2.96 2.90 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 79 T 8.80 3.82 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 1.15 0.00 0.00 80 P 0.00 4.38 0.00 1.93 2.08 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 81 H 8.20 5.02 0.00 3.26 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.73 4.51 0.00 2.95 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 83 G 8.23 3.61 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 0.00 0.00 0.00 84 M 7.99 4.23 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 85 G 8.47 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 0.00 0.00 0.00 86 M 7.94 4.71 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.99 0.00 87 V 8.14 5.23 2.30 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 1.14 0.00 0.00 1.19 0.00 0.00 88 G 9.25 4.30 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 0.00 89 L 9.36 5.41 0.00 1.96 1.74 1.11 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.19 4.58 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 0.64 0.00 0.00 0.93 0.00 0.00 91 Q 8.73 4.86 0.00 2.34 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 92 V 9.03 4.45 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 0.96 0.00 0.00 0.84 0.00 0.00 93 G 8.73 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 0.00 0.00 0.00 0.00 94 D 8.37 4.54 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.84 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 96 P 0.00 4.32 0.00 2.23 2.06 0.00 3.64 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 2.19 2.15 0.00 97 E 8.95 4.04 0.00 1.93 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 2.29 2.30 0.00 98 N 7.92 4.89 0.00 2.88 2.97 0.00 0.00 5.90 6.67 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 99 L 7.62 3.96 0.00 1.95 1.73 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.09 4.46 0.00 2.81 2.70 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 0.00 101 A 7.96 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 0.00 102 A 7.89 3.96 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 0.00 103 K 8.08 4.15 0.00 1.91 1.89 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 104 T 7.33 4.41 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 1.25 0.00 0.00 105 A 8.04 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 0.00 106 K 8.62 4.15 0.00 1.74 1.75 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.37 7.81 107 M 8.19 4.64 0.00 2.27 1.82 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 108 P 0.00 4.10 0.00 1.69 1.79 0.00 2.45 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.85 0.00 109 K 8.70 3.78 0.00 1.94 2.06 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 110 K 7.96 3.91 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.47 7.81 111 A 7.74 4.03 1.15 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 0.00 112 R 8.16 3.86 0.00 1.89 2.08 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 113 E 8.51 4.00 0.00 2.21 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 2.55 0.00 114 R 8.19 4.01 0.00 1.93 2.05 0.00 3.46 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 115 M 8.50 4.11 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 116 D 8.24 4.43 0.00 2.92 2.70 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 0.00 117 A 7.50 4.01 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 0.00 118 E 8.27 4.04 0.00 2.30 2.16 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 2.46 2.52 0.00 119 L 8.44 4.02 0.00 1.79 1.71 0.96 0.84 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 0.00 120 A 7.48 4.14 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 0.00 121 Q 7.24 4.06 0.00 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 122 V 6.74 3.81 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 0.81 0.00 0.00 1.00 0.00 0.00 123 N 8.92 4.74 0.00 3.00 2.89 0.00 0.00 6.87 7.38 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