NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5037 8.2893 120.3279 55.3885 33.4259 174.7623 1 V 4.2997 8.0671 121.2460 60.1055 34.1985 171.9052 2 L 4.6841 8.1637 123.8910 52.5561 45.1263 178.1545 3 S 4.5130 8.8105 117.4989 57.7523 65.3216 175.1625 4 E 4.2836 8.8123 122.4868 59.4058 29.4362 178.9839 5 G 3.6596 8.1117 105.3955 47.9312 0.0000 175.3902 6 E 3.9722 8.2247 121.0161 58.8910 29.3379 179.4897 7 W 4.3266 8.2944 119.0937 59.9048 29.0235 178.6318 8 Q 4.1372 8.4870 118.1936 58.7925 28.1433 178.7243 9 L 4.0693 7.8995 120.1513 57.6383 41.6357 179.6466 10 V 3.7664 7.9563 118.2415 66.2519 31.7037 178.2145 11 L 4.2643 8.5349 118.9079 57.6756 40.9235 179.0517 12 H 4.2363 8.6471 119.0712 59.2950 29.9627 177.7681 13 V 3.3982 7.9985 120.8847 64.3611 31.2391 178.1459 14 W 3.7929 8.4574 128.9400 59.9714 30.2618 177.7866 15 A 3.9857 7.8165 120.0245 54.9771 18.1093 179.4271 16 K 3.9502 7.3518 116.8776 59.2901 32.0861 179.7181 17 V 2.7788 7.0799 118.4556 65.6570 31.0615 177.7709 18 E 3.9429 7.8240 116.5265 58.2883 29.3281 178.3072 19 A 4.2340 7.4521 119.6202 53.2036 19.8647 177.4001 20 D 4.6211 7.9644 115.8869 52.0209 43.0495 175.6278 21 V 3.4710 7.8484 124.4326 66.1899 32.0755 176.6445 22 A 4.0618 8.0346 119.9144 55.1190 18.2120 179.6962 23 G 3.5439 8.1345 105.4402 47.7739 0.0000 175.7225 24 H 4.1485 8.2804 119.1197 58.3086 28.6475 178.1201 25 G 3.5848 8.4168 107.9703 47.8394 0.0000 175.7624 26 Q 3.9261 8.1108 120.4865 58.8161 28.8036 178.5153 27 D 4.3166 7.9627 119.8090 57.4436 40.7617 179.1346 28 I 3.6754 7.9555 120.3559 64.4754 37.1225 178.6057 29 L 3.5157 7.9096 119.8124 57.5141 41.2810 179.6633 30 I 3.7856 7.9738 120.2430 64.2324 36.9557 178.3744 31 R 3.7922 7.9595 119.5364 59.2345 29.8333 178.2157 32 L 3.8743 7.8530 120.1539 58.4188 41.5686 179.1176 33 F 4.5890 8.1191 117.9274 60.4164 38.5572 177.9005 34 K 4.1099 8.1871 117.8081 59.3068 31.9855 179.2701 35 S 4.2959 8.0910 114.9597 60.3998 64.2331 174.5176 36 H 4.6635 8.3013 118.8309 51.6710 29.6765 171.5660 37 P 4.5004 0.0000 0.0000 64.8028 31.5501 177.4065 38 E 4.2428 8.2625 115.9819 59.6021 29.4967 179.1744 39 T 3.8436 8.0624 110.6552 64.3600 68.7325 176.2557 40 L 3.6998 8.0250 123.0984 57.7165 41.7808 178.4803 41 E 4.0505 7.9038 117.2094 58.5207 29.4243 178.4789 42 K 4.3009 7.7540 116.5313 56.4286 33.0538 176.9975 43 F 4.4323 7.6342 119.2004 54.9905 38.8717 175.5730 44 D 4.3761 8.3197 125.7506 56.8130 40.9643 178.6057 45 R 4.2527 7.8459 117.3473 58.5830 30.5889 177.6235 46 F 5.0033 7.2763 111.4338 56.6557 38.4705 175.8667 47 K 3.9245 7.9340 120.5420 59.5758 32.3431 176.9465 48 H 4.7067 7.8989 116.0583 55.7233 28.8857 174.8305 49 L 4.4303 7.8017 120.8773 54.5157 41.9535 175.3219 50 K 4.4190 9.5756 121.5783 57.9255 34.7690 177.7164 51 T 4.2807 7.6258 108.5136 61.1332 71.1956 175.0230 52 E 3.9896 8.6572 121.5706 59.0908 29.7849 178.8354 53 A 3.9739 7.9235 120.7191 55.1305 18.4014 179.2517 54 E 3.9374 8.2019 117.1207 59.8580 29.3148 179.5399 55 M 4.0757 7.8288 117.6441 58.3992 32.1179 178.7999 56 K 4.0825 8.3270 117.5623 58.5823 32.2995 178.3901 57 A 4.4330 7.4704 118.6546 51.4868 19.5509 177.1047 58 S 4.1410 7.1876 114.1922 57.6595 62.9735 174.5778 59 E 3.9450 8.7823 128.6875 59.2754 29.4830 178.3253 60 D 4.3077 7.8878 118.6639 57.1099 40.9696 178.3100 61 L 2.9801 7.2803 120.7276 57.5331 42.1292 178.8508 62 K 3.8269 7.6784 119.3326 59.4894 32.1458 178.8446 63 K 3.9564 8.2786 119.0858 59.8198 31.8975 178.8530 64 H 4.3718 8.4579 118.6447 59.1313 29.7590 177.5280 65 G 3.5766 8.2255 107.7299 47.7194 0.0000 175.8929 66 V 3.6221 7.7383 120.3033 65.9345 31.5616 178.2704 67 T 3.8657 7.9348 115.5116 66.6044 68.2655 176.5913 68 V 3.6403 7.9720 120.3136 66.3239 31.5150 178.1804 69 L 4.2885 8.1491 118.4448 57.9588 41.4618 179.7323 70 T 4.1016 8.3242 116.3289 66.4894 68.3517 177.0997 71 G 3.6084 8.2855 107.7458 47.6808 0.0000 175.6085 72 L 3.8014 8.3733 123.5186 57.6292 42.0755 179.2109 73 G 3.2159 8.4996 105.8205 47.6265 0.0000 175.4709 74 A 3.9824 7.5756 121.6639 54.9184 18.7456 179.5863 75 I 3.7992 7.4511 117.9093 64.4861 37.1929 178.6271 76 L 3.9565 7.8425 120.1706 57.6768 41.1788 179.5858 77 K 3.9794 7.6128 116.7954 58.3300 32.2527 178.5662 78 K 3.9818 7.7470 117.9131 55.7054 32.6873 176.4950 79 K 2.0000 8.3629 118.5147 56.3907 29.8826 175.0594 80 G 3.9653 7.9177 105.8120 45.7353 0.0000 174.0858 81 H 4.5355 7.4619 118.8923 54.9141 27.3549 174.6621 82 H 5.3360 7.2187 111.4644 54.3752 29.7470 176.5873 83 E 3.9359 8.5821 122.6656 60.2360 29.0458 178.4261 84 A 4.0099 7.9581 118.8081 55.2134 17.8148 178.8103 85 E 4.1787 8.1115 116.2357 58.7355 29.7796 178.6931 86 L 4.1984 8.4992 121.0014 57.4099 42.1643 178.4013 87 K 3.8410 8.1844 120.1293 59.2271 32.1105 176.7605 88 P 4.2704 0.0000 0.0000 65.8119 31.0726 177.9497 89 L 4.0234 7.5196 116.6939 57.7684 42.0553 178.7641 90 A 4.0727 8.2501 120.8657 55.3938 18.3878 179.2748 91 Q 3.9374 8.2504 118.0244 59.3767 29.0603 178.5940 92 S 3.9952 8.1905 114.0020 61.8747 62.5251 175.9906 93 H 4.1987 8.6834 118.5348 58.2549 28.1318 177.7395 94 A 2.5800 7.7024 122.3168 54.4797 18.6658 179.0875 95 T 3.9109 7.5261 106.2443 62.8481 69.4568 175.7386 96 K 4.1096 7.5363 120.7748 58.1476 33.1328 176.7049 97 H 4.3952 7.8129 113.7093 55.5329 29.8206 175.3902 98 K 3.2522 7.3774 116.8019 57.0560 28.7447 175.7421 99 I 4.2261 8.0476 118.9613 59.0930 38.5474 175.2433 100 P 4.5107 0.0000 0.0000 62.1268 32.1630 177.5582 101 I 3.7369 9.9006 122.6390 64.4924 36.9302 178.9919 102 K 3.9785 7.8421 120.4326 59.5895 32.2007 178.6917 103 Y 4.0840 7.9662 117.9102 60.8368 37.8384 178.2140 104 L 4.1983 7.8861 119.5638 57.7219 41.8154 179.2258 105 E 4.0343 8.0794 118.7850 59.3302 29.4273 179.3389 106 F 4.6535 7.8281 117.9435 60.7621 38.9418 177.6150 107 I 3.9038 8.2285 118.1576 63.9055 37.7494 178.1415 108 S 4.2166 8.2139 116.3826 61.3875 62.6023 176.0999 109 E 4.0039 8.3827 121.8288 59.2919 29.3612 178.7427 110 A 4.0269 8.0564 120.6348 55.1505 18.4141 179.5871 111 I 3.6710 8.0465 118.3822 64.6688 37.2505 178.6188 112 I 3.9207 7.8743 120.4932 64.7308 36.9087 177.8897 113 H 4.1269 8.4692 118.9769 59.4482 29.6460 177.4750 114 V 3.5597 8.0915 120.1057 65.9515 31.3602 177.9363 115 L 3.7368 7.9730 118.8500 57.8562 41.0456 179.0430 116 H 4.4790 8.0778 117.3946 59.3178 29.9398 176.9667 117 S 4.1243 8.0329 114.1161 61.3833 62.3389 175.9075 118 R 4.0780 7.9468 119.1222 57.4828 31.3013 176.3373 119 H 5.0284 8.0838 115.7218 54.0315 28.2975 173.0116 120 P 4.4108 0.0000 0.0000 65.5903 31.8824 179.2319 121 G 3.7219 8.1067 106.7852 47.0853 0.0000 173.6488 122 D 4.7948 7.5796 117.2396 53.5725 41.6432 177.1798 123 F 4.7643 8.7788 123.4042 58.7243 36.8081 175.6823 124 G 3.9895 7.8272 109.5437 43.7150 0.0000 170.4957 125 A 3.8839 8.4583 120.5572 55.2811 18.3766 179.9219 126 D 4.1691 7.9004 116.6121 57.5065 40.9775 178.7038 127 A 3.9239 7.6838 120.7438 55.1272 18.3365 179.5498 128 Q 3.4460 7.7672 117.0198 58.7539 28.7329 179.2051 129 G 3.4906 8.0468 106.5616 47.6301 0.0000 175.6490 130 A 3.8391 8.0020 123.2829 55.1073 18.3281 179.4695 131 M 4.0064 8.3937 117.1436 58.5516 32.2584 177.9082 132 N 4.3104 8.4766 117.6937 56.6820 39.0785 177.0176 133 K 3.8938 8.0636 119.5660 59.2873 32.1086 179.1613 134 A 3.9014 7.9583 121.0655 55.3230 18.2511 179.7952 135 L 4.1173 8.2911 117.6424 57.6003 41.5860 179.3972 136 E 3.9488 8.3668 119.8093 59.0222 29.5065 178.5089 137 L 3.9642 8.3135 120.8178 58.0856 42.1791 178.4805 138 F 4.1937 8.4232 120.5584 61.7039 39.2208 177.4112 139 R 3.5443 8.3654 117.7060 58.9973 29.8184 179.2300 140 K 3.8922 8.3733 118.7404 59.6142 31.9870 179.2143 141 D 4.3538 8.3244 119.3605 57.1700 40.5905 178.9589 142 I 3.4071 7.4265 120.3093 64.0988 36.9239 178.1850 143 A 3.6523 7.9549 121.7475 54.9107 18.1187 179.5614 144 A 3.9063 7.8545 119.2180 55.3251 18.5147 180.0473 145 K 3.9857 7.8105 116.6564 59.7709 32.1914 178.8947 146 Y 4.3888 8.3868 117.3277 61.5192 37.8873 178.9612 147 K 3.9612 8.5870 119.3386 59.6238 31.9310 178.9829 148 E 3.9889 8.0765 118.7621 58.9195 29.6420 177.9457 149 L 4.4820 7.6821 116.0235 54.2357 41.9835 177.9137 150 G 3.8611 7.9648 107.5728 45.5234 0.0000 173.4503 151 Y 4.2519 7.7059 121.1421 57.5050 38.4964 175.9055 152 Q 4.1113 7.9435 129.0298 54.2833 27.5337 176.3069 153 G 3.1337 7.1663 110.5313 45.2782 0.0000 171.1492 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 0 M 8.29 4.50 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 1 V 8.07 4.30 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 0.64 0.00 0.00 0.98 0.00 0.00 2 L 8.16 4.68 0.00 0.65 0.84 0.51 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.81 4.51 0.00 4.04 3.98 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 0.00 0.00 0.00 4 E 8.81 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.11 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 6 E 8.22 3.97 0.00 2.05 1.76 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 2.23 2.27 0.00 7 W 8.29 4.33 0.00 3.59 3.18 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 0.00 8 Q 8.49 4.14 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 9 L 7.90 4.07 0.00 1.94 1.77 0.89 0.74 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 10 V 7.96 3.77 2.50 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 1.19 0.00 0.00 0.94 0.00 0.00 11 L 8.53 4.26 0.00 1.84 1.80 0.95 1.13 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 12 H 8.65 4.24 0.00 3.46 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.00 3.40 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 1.01 0.00 0.00 0.70 0.00 0.00 14 W 8.46 3.79 0.00 3.71 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 15 A 7.82 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 16 K 7.35 3.95 0.00 1.44 1.55 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.31 1.42 7.81 17 V 7.08 2.78 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 0.00 0.00 0.04 0.00 0.00 0.08 0.00 0.00 18 E 7.82 3.94 0.00 2.07 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 2.34 2.36 0.00 19 A 7.45 4.23 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 20 D 7.96 4.62 0.00 2.71 2.52 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 21 V 7.85 3.47 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 1.04 0.00 0.00 0.90 0.00 0.00 22 A 8.03 4.06 1.29 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 23 G 8.13 3.54 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 0.00 0.00 0.00 0.00 24 H 8.28 4.15 0.00 3.16 3.19 0.00 5.63 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 25 G 8.42 3.58 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 0.00 0.00 0.00 26 Q 8.11 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 27 D 7.96 4.32 0.00 2.80 2.67 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 28 I 7.96 3.68 2.00 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 1.51 0.71 0.90 0.00 0.00 29 L 7.91 3.52 0.00 1.53 1.25 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.97 3.79 1.91 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 1.46 0.69 0.92 0.00 0.00 31 R 7.96 3.79 0.00 1.95 2.12 0.00 3.01 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.85 3.87 0.00 1.64 1.36 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.12 4.59 0.00 3.09 2.98 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 0.00 0.00 0.00 34 K 8.19 4.11 0.00 1.77 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.63 7.81 35 S 8.09 4.30 0.00 3.73 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 36 H 8.30 4.66 0.00 2.83 3.00 0.00 5.65 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 37 P 0.00 4.50 0.00 2.15 2.14 0.00 3.83 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 2.11 2.16 0.00 38 E 8.26 4.24 0.00 2.30 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 0.00 2.33 2.56 0.00 39 T 8.06 3.84 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 0.66 0.00 0.00 40 L 8.02 3.70 0.00 1.51 1.73 -0.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.90 4.05 0.00 2.14 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 2.33 2.47 0.00 42 K 7.75 4.30 0.00 1.59 1.36 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.80 7.81 43 F 7.63 4.43 0.00 2.02 1.76 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 44 D 8.32 4.38 0.00 2.63 2.71 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 45 R 7.85 4.25 0.00 2.03 2.22 0.00 3.35 0.00 0.00 3.57 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 46 F 7.28 5.00 0.00 3.08 3.13 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 47 K 7.93 3.92 0.00 1.73 1.95 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.07 7.81 48 H 7.90 4.71 0.00 3.19 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.80 4.43 0.00 1.71 1.63 0.99 0.64 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 50 K 9.58 4.42 0.00 1.79 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 51 T 7.63 4.28 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 1.22 0.00 0.00 52 E 8.66 3.99 0.00 2.06 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 2.37 2.38 0.00 53 A 7.92 3.97 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 54 E 8.20 3.94 0.00 2.23 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 2.36 0.00 55 M 7.83 4.08 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.66 0.00 56 K 8.33 4.08 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 57 A 7.47 4.43 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 58 S 7.19 4.14 0.00 3.85 3.72 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 59 E 8.78 3.95 0.00 2.09 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 2.36 2.44 0.00 60 D 7.89 4.31 0.00 2.63 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 61 L 7.28 2.98 0.00 0.97 1.47 1.03 0.20 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 62 K 7.68 3.83 0.00 1.92 1.88 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 K 8.28 3.96 0.00 1.97 1.87 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.65 7.81 64 H 8.46 4.37 0.00 3.46 3.43 0.00 5.79 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 65 G 8.23 3.58 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 0.00 0.00 0.00 66 V 7.74 3.62 2.24 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 1.03 0.00 0.00 0.91 0.00 0.00 67 T 7.93 3.87 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 1.28 0.00 0.00 68 V 7.97 3.64 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 1.21 0.00 0.00 0.93 0.00 0.00 69 L 8.15 4.29 0.00 1.79 1.82 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 4.10 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 1.26 0.00 0.00 71 G 8.29 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 72 L 8.37 3.80 0.00 1.71 1.72 0.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.22 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 74 A 7.58 3.98 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 75 I 7.45 3.80 1.82 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 1.54 1.16 0.90 0.00 0.00 76 L 7.84 3.96 0.00 1.26 1.50 -0.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 3.98 0.00 1.65 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.75 3.98 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.76 7.81 79 K 8.36 2.00 0.00 1.13 0.74 0.00 1.30 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.50 1.01 7.81 80 G 7.92 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 0.00 0.00 0.00 81 H 7.46 4.54 0.00 3.11 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.34 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.94 0.00 2.04 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 2.40 2.35 0.00 84 A 7.96 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 85 E 8.11 4.18 0.00 2.09 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 2.38 2.42 0.00 86 L 8.50 4.20 0.00 1.72 1.73 0.73 0.65 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 87 K 8.18 3.84 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 88 P 0.00 4.27 0.00 2.34 2.32 0.00 3.78 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 2.28 2.06 0.00 89 L 7.52 4.02 0.00 1.82 1.96 1.16 0.79 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 90 A 8.25 4.07 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 91 Q 8.25 3.94 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 92 S 8.19 4.00 0.00 4.03 4.15 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 93 H 8.68 4.20 0.00 3.70 3.60 0.00 5.86 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 94 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.91 4.12 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 1.12 0.00 0.00 96 K 7.54 4.11 0.00 1.57 1.74 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.10 1.32 7.81 97 H 7.81 4.40 0.00 3.06 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 3.25 0.00 1.76 1.73 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.21 7.81 99 I 8.05 4.23 2.13 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 1.33 0.92 1.17 0.00 0.00 100 P 0.00 4.51 0.00 1.79 1.77 0.00 2.57 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 1.38 1.88 0.00 101 I 9.90 3.74 1.88 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 1.42 1.08 0.83 0.00 0.00 102 K 7.84 3.98 0.00 1.58 1.94 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.40 1.49 7.81 103 Y 7.97 4.08 0.00 3.27 3.15 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 0.00 104 L 7.89 4.20 0.00 1.85 1.77 0.68 1.10 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 0.00 105 E 8.08 4.03 0.00 1.98 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 2.30 2.49 0.00 106 F 7.83 4.65 0.00 3.21 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 0.00 107 I 8.23 3.90 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 1.12 0.00 0.00 108 S 8.21 4.22 0.00 4.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.00 0.00 2.17 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 0.00 2.40 2.58 0.00 110 A 8.06 4.03 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 0.00 111 I 8.05 3.67 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 1.07 0.00 0.00 112 I 7.87 3.92 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.99 1.12 0.00 0.00 113 H 8.47 4.13 0.00 3.40 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.09 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.97 3.74 0.00 1.11 0.19 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.08 4.48 0.00 3.47 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.03 4.12 0.00 3.83 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 0.00 118 R 7.95 4.08 0.00 1.53 1.57 0.00 3.14 0.00 0.00 2.91 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 119 H 8.08 5.03 0.00 3.23 3.57 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.41 0.00 2.17 2.27 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 121 G 8.11 3.72 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 0.00 0.00 0.00 122 D 7.58 4.79 0.00 2.99 2.82 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 0.00 123 F 8.78 4.76 0.00 3.01 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 0.00 124 G 7.83 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 0.00 0.00 0.00 125 A 8.46 3.88 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 0.00 126 D 7.90 4.17 0.00 2.72 2.67 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 0.00 127 A 7.68 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.77 3.45 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 129 G 8.05 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 0.00 130 A 8.00 3.84 1.27 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 0.00 0.00 131 M 8.39 4.01 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 N 8.48 4.31 0.00 2.94 2.97 0.00 0.00 7.18 7.23 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 0.00 133 K 8.06 3.89 0.00 1.81 1.70 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 A 7.96 3.90 1.27 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 0.00 0.00 135 L 8.29 4.12 0.00 1.76 1.85 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.37 3.95 0.00 2.17 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 2.31 2.32 0.00 137 L 8.31 3.96 0.00 1.92 2.00 0.99 1.08 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 0.00 138 F 8.42 4.19 0.00 3.17 3.24 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 0.00 139 R 8.37 3.54 0.00 1.98 1.85 0.00 3.16 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.02 0.00 140 K 8.37 3.89 0.00 1.89 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.63 7.81 141 D 8.32 4.35 0.00 2.63 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 0.00 142 I 7.43 3.41 1.40 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.15 0.03 0.00 0.00 143 A 7.95 3.65 1.24 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 0.00 144 A 7.85 3.91 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 0.00 145 K 7.81 3.99 0.00 1.95 1.94 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.62 7.81 146 Y 8.39 4.39 0.00 3.07 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 0.00 147 K 8.59 3.96 0.00 2.00 1.89 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 148 E 8.08 3.99 0.00 2.12 2.24 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 2.34 2.37 0.00 149 L 7.68 4.48 0.00 1.82 1.69 0.94 0.99 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 0.00 150 G 7.96 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 0.00 151 Y 7.71 4.25 0.00 2.74 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 0.00 152 Q 7.94 4.11 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 153 G 7.17 3.13 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