NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.7797 8.2829 119.3958 57.2616 41.5815 177.2696 4 K 3.8270 8.4090 124.7352 59.9300 31.2648 179.6969 5 K 4.0833 8.4056 125.1345 59.9079 31.8384 180.5640 6 V 3.8026 8.1488 119.4796 65.4990 31.4343 177.6105 7 A 4.0802 8.3243 122.7032 56.2866 17.9800 179.7246 8 K 3.8537 8.2703 121.7179 60.2356 31.6989 180.4106 9 E 4.1554 8.0830 119.0410 59.9091 29.5813 179.9731 10 T 3.8681 8.2056 115.2507 66.5728 68.4513 176.5327 11 A 4.0279 8.1835 122.7552 55.1895 18.2027 179.5902 12 I 3.6634 8.0580 118.6154 64.9905 37.1264 178.7734 13 T 3.9120 7.9570 116.4146 66.6427 68.2154 176.5544 14 L 4.0879 8.0524 122.0967 57.6889 42.0394 178.8027 15 Q 3.9730 8.2135 120.0156 59.4694 29.0781 178.5174 16 S 4.1818 7.8663 116.0454 61.4650 62.8089 176.1027 17 Y 4.1151 8.2351 122.5004 60.9014 38.6019 178.2530 18 L 3.9439 8.3974 120.1050 57.7540 41.5791 179.7158 19 T 3.8201 7.8934 115.9906 66.6689 68.4288 175.8863 20 Y 3.9734 7.9655 121.3688 60.7607 38.6839 178.1062 21 Q 3.2296 7.6549 118.4846 58.6664 28.8155 178.5470 22 A 3.8763 8.0207 122.0108 55.3127 18.3751 179.7590 23 V 3.5252 7.8873 118.7790 66.8406 31.6573 178.7173 24 R 3.7929 7.9446 120.6068 61.6462 29.1095 180.3762 25 L 4.1332 8.0026 121.5005 57.7811 41.9192 179.0415 26 I 3.6962 8.2587 120.3007 64.2649 37.0758 178.2649 27 S 4.1709 8.7552 116.8402 62.0015 61.9866 176.7712 28 Q 3.9556 7.9232 121.8438 60.4185 28.0107 180.0910 29 A 4.2877 7.8827 121.4671 54.5476 18.5529 178.8977 30 L 4.3911 7.7781 118.8310 56.8519 42.0188 179.4407 31 S 4.2749 7.8784 120.7411 64.2917 62.0481 180.8697 32 E 4.4352 8.1917 118.7182 59.0001 30.3596 181.1379 33 T 4.1093 7.7127 112.0419 63.8110 69.0920 176.8531 34 N 5.0510 8.3940 118.9973 51.0431 40.8543 172.7338 35 P 4.3879 0.0000 0.0000 65.2053 31.7754 178.2461 36 G 3.8644 8.2805 105.0785 48.5027 0.0000 175.1980 37 Q 4.0940 8.2128 119.7797 58.1619 28.7580 179.1788 38 A 4.0898 7.9304 124.1769 55.8302 18.6022 180.0179 39 I 3.6872 8.3203 119.0239 65.2126 35.4199 179.5488 40 W 4.3774 8.3791 130.2699 60.4829 30.3021 177.5261 41 L 4.0051 8.8307 119.0955 58.2310 41.8030 179.0846 42 G 3.7964 8.1322 107.5179 48.5464 0.0000 176.0060 43 E 3.9440 7.9370 121.4595 60.6612 29.5391 180.9783 44 F 3.9303 7.9139 121.8813 61.1707 38.9784 177.4790 45 S 4.5289 8.1609 116.5985 61.7990 62.3491 177.3761 46 K 3.8728 7.4277 126.1439 59.4061 31.5833 183.3936 47 R 4.2859 7.3397 116.3260 56.7912 30.3798 176.4785 48 H 4.5881 6.9689 115.5924 53.2338 32.1519 171.0853 49 P 4.5174 0.0000 0.0000 61.6511 31.3296 176.7707 50 I 3.4551 8.4071 126.6672 63.3884 38.2339 177.3060 51 Q 4.0636 8.2983 120.4407 58.7197 28.1564 183.1754 52 E 4.5911 7.6583 116.8694 54.0344 28.6925 178.3623 53 S 4.2946 8.3001 121.1414 61.1524 63.4234 176.1423 54 D 4.4243 8.1862 122.0639 57.2029 40.5405 178.6999 55 L 4.0528 7.9659 118.8766 57.8323 41.7680 178.4758 56 Y 4.1934 8.2186 119.5256 61.0415 38.6509 178.5567 57 L 4.0771 8.4193 119.7301 57.6921 41.5500 179.2357 58 E 3.9408 8.2014 117.3168 59.4134 29.4378 178.6213 59 A 4.1841 8.3159 121.1489 55.8585 18.2854 179.4360 60 M 3.7566 7.9969 116.0992 58.6395 32.0144 177.9892 61 M 3.7174 8.2217 118.7353 58.4615 32.1733 178.1447 62 L 4.2782 7.5625 117.0636 56.0505 42.0451 177.3054 63 E 4.4547 8.5648 117.6721 57.2406 31.6017 176.2538 64 N 4.4271 7.4066 117.1448 51.4128 40.4285 174.6259 65 K 3.9491 8.3535 128.5542 59.0538 32.3288 178.8407 66 E 3.8993 8.0085 117.4817 59.3837 29.3622 178.7568 67 L 3.9084 7.7915 119.6693 57.6499 41.7682 179.5625 68 V 3.5658 7.4420 117.6160 66.2931 31.3784 178.1036 69 L 4.0296 7.7944 118.4362 57.4333 41.4235 179.3192 70 R 3.8564 8.2909 119.0944 59.5429 29.9977 178.4247 71 I 3.6948 7.9511 119.7263 64.5220 37.1252 178.2446 72 L 3.9899 7.9959 119.4866 58.1710 41.5912 179.8153 73 T 3.9214 7.9762 115.3537 66.6134 68.3824 176.7080 74 V 3.5776 8.1156 120.7251 66.2293 31.5394 178.2535 75 R 3.8768 8.2049 115.7355 59.2808 29.0868 178.3941 76 E 3.9759 7.8885 118.6439 58.8403 29.5201 178.5043 77 N 4.2292 8.0694 116.3300 56.2027 38.6634 176.7269 78 L 3.8216 8.1145 121.8669 58.3731 42.0346 178.8363 79 A 3.9793 8.0477 120.1851 55.3045 18.0857 179.2841 80 E 3.9609 7.9409 115.6104 60.3530 29.6969 179.1687 81 G 3.4928 8.2429 104.1228 47.6485 0.0000 174.7921 82 V 3.5539 8.1850 118.9833 65.2748 31.6891 178.0824 83 L 4.2292 7.6290 115.7000 56.3478 41.7970 177.5373 84 E 4.4253 7.8669 117.3937 59.5996 30.4273 178.0417 85 F 4.4109 8.4440 117.3946 60.0508 39.1023 177.1924 86 L 4.0019 8.1684 119.7750 57.9203 41.7982 177.0270 87 P 4.2918 0.0000 0.0000 66.3021 31.3158 178.7161 88 E 3.9822 8.2350 116.3086 61.8265 29.7352 180.9326 89 M 4.4493 8.2692 119.7098 57.8082 31.9345 179.3064 90 V 3.5507 8.3220 119.0202 65.8373 31.7216 177.8526 91 L 3.9175 8.0008 120.2389 58.1700 41.9956 178.8980 92 S 4.1039 8.4653 114.6144 61.8111 62.7993 176.5162 93 Q 4.0150 7.9956 121.2480 58.4453 28.3110 178.8519 94 I 3.7427 7.9562 123.3510 64.8797 37.2113 178.9279 95 K 3.8836 8.1933 124.7687 60.0587 31.5360 180.5699 96 Q 4.1260 8.5170 121.4234 58.9759 28.9680 178.4477 97 S 4.1002 8.6172 115.7646 61.4034 63.2730 175.8015 98 N 4.3134 8.5305 120.8265 56.8514 38.3364 176.5894 99 G 3.6727 8.1208 106.3532 47.7161 0.0000 174.8701 100 N 4.2272 8.3390 117.4201 56.0894 38.8218 177.3217 101 H 4.1840 8.3202 117.1263 58.9375 28.8850 177.9151 102 R 3.9010 7.8665 119.5638 59.4580 29.9899 178.7875 103 R 3.9078 8.4355 118.6105 59.8004 29.8497 178.5869 104 S 4.1978 8.1270 114.4449 61.6167 62.9306 176.1602 105 L 3.9482 8.0719 123.0939 58.3762 41.8501 179.1590 106 L 3.9904 8.4304 119.0075 57.9250 41.3855 179.1444 107 E 4.0610 8.5780 120.1445 60.1082 29.3959 180.3097 108 R 4.0932 8.0508 120.1034 61.5383 29.7714 181.3967 109 L 4.3274 7.8128 118.0319 55.9470 41.9405 178.0968 110 T 3.9656 7.1316 116.0781 63.1545 68.9200 173.8766 111 Q 4.1090 8.6620 129.8264 56.6866 29.7623 176.8188 112 V 4.0658 8.1138 121.3241 61.2656 32.5563 171.0138 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 F 8.28 4.78 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.83 0.00 1.83 1.86 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.13 7.81 5 K 8.41 4.08 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 6 V 8.15 3.80 2.27 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 1.06 0.00 0.00 0.93 0.00 0.00 7 A 8.32 4.08 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 8 K 8.27 3.85 0.00 1.77 1.82 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 E 8.08 4.16 0.00 1.98 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 2.35 2.63 0.00 10 T 8.21 3.87 4.38 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 1.22 0.00 0.00 11 A 8.18 4.03 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 12 I 8.06 3.66 1.98 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 1.72 0.97 0.93 0.00 0.00 13 T 7.96 3.91 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 1.22 0.00 0.00 14 L 8.05 4.09 0.00 2.04 1.72 0.94 0.57 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 15 Q 8.21 3.97 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 16 S 7.87 4.18 0.00 3.94 3.95 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 17 Y 8.24 4.12 0.00 3.17 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 18 L 8.40 3.94 0.00 1.84 1.69 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.89 3.82 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 1.23 0.00 0.00 20 Y 7.97 3.97 0.00 2.87 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 21 Q 7.65 3.23 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 1.70 2.19 0.00 22 A 8.02 3.88 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 23 V 7.89 3.53 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 0.93 0.00 0.00 1.08 0.00 0.00 24 R 7.94 3.79 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 25 L 8.00 4.13 0.00 1.63 1.81 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.26 3.70 2.03 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 1.39 1.31 0.92 0.00 0.00 27 S 8.76 4.17 0.00 3.94 4.02 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 0.00 0.00 0.00 28 Q 7.92 3.96 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 29 A 7.88 4.29 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 30 L 7.78 4.39 0.00 1.67 1.91 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.88 4.27 0.00 3.74 3.82 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 0.00 0.00 0.00 32 E 8.19 4.44 0.00 1.98 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 2.20 1.86 0.00 33 T 7.71 4.11 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 1.21 0.00 0.00 34 N 8.39 5.05 0.00 2.63 2.67 0.00 0.00 6.92 7.29 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 35 P 0.00 4.39 0.00 2.32 2.45 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 36 G 8.28 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 0.00 0.00 0.00 37 Q 8.21 4.09 0.00 2.27 2.21 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 2.26 2.49 0.00 38 A 7.93 4.09 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 39 I 8.32 3.69 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 1.41 0.70 0.91 0.00 0.00 40 W 8.38 4.38 0.00 3.51 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 41 L 8.83 4.01 0.00 2.08 1.93 1.09 1.42 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 42 G 8.13 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.94 3.94 0.00 2.02 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 2.25 2.20 0.00 44 F 7.91 3.93 0.00 1.54 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 45 S 8.16 4.53 0.00 4.19 4.02 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 0.00 0.00 0.00 46 K 7.43 3.87 0.00 1.83 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.34 4.29 0.00 1.50 1.68 0.00 2.99 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 48 H 6.97 4.59 0.00 2.54 2.99 0.00 5.65 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 49 P 0.00 4.52 0.00 2.21 2.18 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 50 I 8.41 3.46 1.37 0.00 0.00 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 1.06 0.27 0.73 0.00 0.00 51 Q 8.30 4.06 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.01 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 52 E 7.66 4.59 0.00 1.91 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 2.18 2.10 0.00 53 S 8.30 4.29 0.00 4.07 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 0.00 54 D 8.19 4.42 0.00 2.76 2.81 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 55 L 7.97 4.05 0.00 1.97 1.79 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.22 4.19 0.00 3.14 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 57 L 8.42 4.08 0.00 1.97 1.76 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.20 3.94 0.00 2.14 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 0.00 2.38 2.49 0.00 59 A 8.32 4.18 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 60 M 8.00 3.76 0.00 2.00 1.54 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 2.02 2.36 0.00 61 M 8.22 3.72 0.00 1.99 2.39 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 62 L 7.56 4.28 0.00 1.89 1.77 0.94 0.80 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 63 E 8.56 4.45 0.00 2.10 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 2.39 2.59 0.00 64 N 7.41 4.43 0.00 1.84 2.22 0.00 0.00 7.24 6.06 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 65 K 8.35 3.95 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 66 E 8.01 3.90 0.00 2.14 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 2.27 2.47 0.00 67 L 7.79 3.91 0.00 1.95 1.76 0.96 1.00 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 68 V 7.44 3.57 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 1.03 0.00 0.00 0.96 0.00 0.00 69 L 7.79 4.03 0.00 1.91 1.68 0.90 0.81 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 70 R 8.29 3.86 0.00 1.96 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 71 I 7.95 3.69 2.07 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 1.56 0.66 0.97 0.00 0.00 72 L 8.00 3.99 0.00 1.87 1.73 0.95 0.59 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 73 T 7.98 3.92 4.43 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 1.20 0.00 0.00 74 V 8.12 3.58 2.13 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 1.10 0.00 0.00 0.91 0.00 0.00 75 R 8.20 3.88 0.00 2.05 2.23 0.00 2.84 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 76 E 7.89 3.98 0.00 2.11 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 0.00 2.30 2.35 0.00 77 N 8.07 4.23 0.00 2.94 2.82 0.00 0.00 6.56 6.14 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 78 L 8.11 3.82 0.00 1.87 1.80 0.85 0.89 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 79 A 8.05 3.98 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 80 E 7.94 3.96 0.00 2.02 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 2.63 2.47 0.00 81 G 8.24 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 82 V 8.18 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 1.00 0.00 0.00 0.89 0.00 0.00 83 L 7.63 4.23 0.00 2.01 1.68 0.95 1.07 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 84 E 7.87 4.43 0.00 2.37 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 0.00 2.38 2.40 0.00 85 F 8.44 4.41 0.00 3.02 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 86 L 8.17 4.00 0.00 1.97 1.73 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.29 0.00 2.21 2.10 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 E 8.24 3.98 0.00 1.97 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 2.32 1.99 0.00 89 M 8.27 4.45 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 90 V 8.32 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 0.99 0.00 0.00 0.96 0.00 0.00 91 L 8.00 3.92 0.00 2.06 1.64 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.47 4.10 0.00 4.03 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 93 Q 8.00 4.02 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 94 I 7.96 3.74 2.01 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 1.39 0.85 0.92 0.00 0.00 95 K 8.19 3.88 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 96 Q 8.52 4.13 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 97 S 8.62 4.10 0.00 4.03 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 0.00 98 N 8.53 4.31 0.00 3.14 2.97 0.00 0.00 6.90 7.78 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 99 G 8.12 3.67 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 0.00 100 N 8.34 4.23 0.00 2.83 2.82 0.00 0.00 7.20 8.04 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 0.00 101 H 8.32 4.18 0.00 3.17 3.33 0.00 5.63 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 0.00 102 R 7.87 3.90 0.00 2.13 1.99 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 103 R 8.44 3.91 0.00 2.01 2.04 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 S 8.13 4.20 0.00 4.23 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 0.00 105 L 8.07 3.95 0.00 1.76 1.85 0.92 0.74 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 0.00 106 L 8.43 3.99 0.00 1.83 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.58 4.06 0.00 2.05 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 2.35 2.41 0.00 108 R 8.05 4.09 0.00 1.88 1.84 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 109 L 7.81 4.33 0.00 1.62 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.13 3.97 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 1.21 0.00 0.00 111 Q 8.66 4.11 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 112 V 8.11 4.07 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 0.73 0.00 0.00 0.93 0.00 0.00