NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4814 8.1633 120.3234 55.2351 32.4248 176.3600 2 S 4.4799 8.4786 122.9769 55.5139 62.4449 172.4890 3 G 4.3268 7.8026 119.1254 45.2572 0.0000 172.7081 4 I 4.5009 7.8042 125.2887 59.6668 41.3175 174.2606 5 V 4.5462 8.3827 127.1704 61.5070 33.0472 174.7848 6 I 4.4522 8.9148 128.7256 58.8448 39.6045 176.0924 7 D 4.8477 8.3771 130.0794 52.4018 40.1230 175.8969 8 K 4.6126 7.4153 117.8028 55.2810 36.6901 176.2026 9 E 4.6833 8.4361 120.9265 54.1438 31.5564 175.8971 10 K 3.8258 7.9667 119.0451 56.7790 32.8781 177.9933 11 V 3.7541 8.4991 115.1946 63.8183 31.7676 176.4275 12 H 4.9814 7.6245 114.6135 53.5894 32.4669 173.7225 13 S 4.2207 8.5786 118.4471 61.9753 62.8251 176.8715 14 K 4.1365 8.0106 114.5392 57.2923 31.2960 176.5728 15 M 4.5216 7.6102 119.2309 52.7946 33.4264 174.4279 16 P 4.4181 0.0000 0.0000 63.6036 32.1811 176.2118 17 D 4.6861 8.8416 120.8913 56.8269 42.0216 176.4651 18 V 4.7539 7.6972 115.7131 60.8966 35.1359 175.0263 19 V 4.3408 8.6868 126.8858 61.0086 33.7612 174.6326 20 K 4.4726 8.7919 127.6715 57.0235 33.0918 177.1177 21 N 4.0593 8.7416 116.8949 54.3593 36.3017 172.0577 22 A 4.7428 8.4598 121.5283 50.3912 21.5907 176.3660 23 K 4.8705 9.4216 122.8157 54.9915 34.3240 175.5293 24 I 4.9603 8.7489 126.4649 59.4926 39.7943 174.4392 25 A 4.8508 9.2970 129.3816 50.5176 21.1204 175.7233 26 L 5.0745 8.5355 122.0305 53.2035 44.3343 175.3558 27 I 4.8087 8.0137 125.5470 59.4864 39.2351 176.5661 28 D 4.4306 9.5063 128.3040 57.0612 41.5641 177.0675 29 S 4.4861 7.9866 110.9566 57.0641 64.3546 173.4865 30 A 4.2916 8.2782 124.7781 52.3836 19.3552 178.7396 31 L 4.5300 8.3898 123.8463 53.4491 40.2644 175.3444 32 E 5.1157 7.5759 118.3760 54.4477 34.3365 175.3787 33 I 3.8577 7.5759 120.8037 60.4263 38.1688 176.7586 34 K 4.1786 8.4454 124.7311 55.7374 32.8069 177.6321 35 K 3.8044 8.7431 124.6935 60.2679 31.9882 179.1149 36 T 3.8635 7.9266 114.9943 66.7925 68.2384 176.1488 37 E 3.9694 8.0908 120.9406 59.0323 29.8820 178.4016 38 I 4.0805 7.8643 112.6149 63.2603 37.9470 178.0012 39 E 3.9634 8.3497 120.9254 59.2907 29.2854 178.9527 40 A 4.0968 7.8033 120.8220 54.9354 18.2126 179.8089 41 K 3.7190 7.4204 115.9961 58.8183 32.2197 179.6211 42 V 3.4896 7.3798 119.0174 65.8939 31.3028 177.7652 43 Q 3.9346 8.2001 118.3858 58.8430 28.9592 177.2574 44 I 4.0242 7.4273 116.5114 60.3483 38.6021 175.5921 45 S 4.2730 7.1093 113.6806 58.3730 63.0338 173.3777 46 D 4.5082 8.4553 126.0431 53.6263 40.9308 175.7250 47 P 3.8583 0.0000 0.0000 65.7117 31.4481 177.8487 48 S 4.5312 8.0115 109.4568 58.7990 63.5232 174.3760 49 K 4.5333 8.9125 121.3339 56.4187 32.9349 177.7771 50 I 3.7600 7.6175 120.9311 64.9250 37.0623 178.0507 51 Q 4.0381 8.1071 119.3956 59.1232 28.8493 177.8017 52 D 4.3799 8.0417 119.7633 57.1544 40.8186 178.3011 53 F 4.0573 8.4059 121.0389 61.4346 39.5170 177.0981 54 L 3.7126 8.0876 118.5168 57.9284 41.0992 179.4488 55 N 4.3307 8.0985 116.4105 56.1648 38.4335 177.3026 56 Q 3.8905 8.2498 121.4897 59.0089 29.0777 177.9229 57 E 3.7676 7.9487 120.7969 59.3261 29.3133 178.8799 58 T 4.0212 7.9062 115.7701 66.2747 68.4189 176.2383 59 N 4.4348 7.7603 118.3500 56.0860 38.8620 177.5524 60 T 3.8962 8.1602 117.4994 66.5214 68.4450 176.5136 61 F 4.3513 8.3372 122.5305 61.3500 39.5193 177.0947 62 K 3.6980 7.8888 118.9792 59.5801 31.5725 178.7530 63 Q 3.8847 7.8926 117.6895 58.8851 28.7239 177.6649 64 M 4.1171 7.9231 119.2980 58.7874 31.9509 178.5215 65 V 3.4782 7.8293 118.6091 65.8161 31.6054 177.4984 66 E 4.0699 8.0121 117.4060 57.9989 29.1091 178.6887 67 K 4.0677 7.4851 117.9846 58.2639 32.3908 178.8174 68 I 3.9210 7.3798 120.9084 64.0490 37.3262 177.8079 69 K 3.8816 7.9472 119.7856 59.7428 31.8281 178.8135 70 K 4.1295 8.1987 117.8192 58.7556 31.9923 178.5254 71 S 4.4832 7.5728 112.3662 58.6236 63.2162 174.5683 72 G 3.9613 8.2150 111.8653 45.5122 0.0000 174.3772 73 A 4.2539 6.8948 121.5012 53.1293 18.8890 176.7030 74 N 5.1369 8.8794 115.1597 52.2372 39.8100 173.8904 75 V 5.1835 7.6354 119.6601 61.7490 35.5737 173.5520 76 V 4.9163 9.5446 126.9687 59.9538 34.6184 174.1580 77 L 5.1501 8.9242 124.9089 53.1087 44.3282 174.8249 78 C 4.8618 9.3265 125.6650 57.7698 33.0963 174.3370 79 Q 4.4467 9.1079 126.6080 57.7121 29.9593 174.8069 80 K 5.1427 7.7078 118.4503 54.8671 36.2944 175.7012 81 G 4.2397 8.6606 107.8228 47.0290 0.0000 172.8052 82 I 5.1503 7.9513 119.9533 58.8835 40.3871 175.3071 83 D 4.3853 9.1883 127.2641 54.8026 41.5744 176.9487 84 D 4.3945 9.0676 124.9852 57.8601 40.8380 179.5000 85 V 3.4182 8.5985 118.6549 65.5085 31.4772 178.0013 86 A 3.7092 8.0141 120.2853 55.0938 18.2818 179.4357 87 Q 3.9084 8.3365 116.9558 59.0400 28.6731 178.6313 88 H 4.0035 7.5823 119.2630 59.2811 29.8877 176.7185 89 Y 4.3698 7.7337 118.5717 61.4115 37.7682 178.9418 90 L 4.0141 7.9768 119.4075 57.7441 41.4906 179.4510 91 A 4.0009 7.7375 119.8131 54.7569 18.3764 179.3559 92 K 4.0416 7.9737 118.3376 59.5351 32.2263 178.4939 93 E 4.2558 8.4362 116.4064 56.5778 29.2701 177.4114 94 G 3.9336 7.3751 107.0727 46.3683 0.0000 173.5227 95 I 4.4231 7.5735 119.7570 60.1358 38.2006 175.2449 96 Y 4.3616 8.7722 127.8459 56.9140 39.6182 173.8321 97 A 5.1798 8.2878 128.5199 50.1525 22.5428 174.8300 98 V 4.7598 8.7478 120.1403 61.0519 35.1551 174.5291 99 R 4.9875 8.4623 122.6853 54.5557 32.6506 174.7991 100 R 4.1103 8.4961 115.5626 56.4550 28.2234 177.0792 101 V 3.7556 7.7905 117.9419 62.2679 32.3119 175.5334 102 K 4.0160 8.6721 126.3603 56.6270 33.8774 177.7234 103 K 3.9134 8.7376 123.3055 59.7297 32.1075 179.3187 104 S 4.1239 7.9989 113.9385 61.7466 62.9188 176.1482 105 D 4.5263 8.0850 122.2440 57.0806 40.5522 178.5596 106 M 4.0778 8.1024 119.3931 58.3956 31.9706 178.6637 107 E 4.0023 8.2880 118.7932 59.1023 29.8040 179.0699 108 K 3.9157 8.5914 120.0697 59.6607 32.1477 178.7988 109 L 4.0860 8.3701 119.1143 57.1251 41.4892 179.1904 110 A 3.9595 7.8793 121.0888 55.0982 18.1558 179.3166 111 K 3.7991 7.8782 116.2387 59.6618 32.4085 177.6094 112 A 4.1138 7.6738 121.0897 55.0589 18.4116 178.4438 113 T 4.2528 8.4127 104.1052 61.1894 69.7816 176.1791 114 G 3.8012 8.4116 110.2354 45.8347 0.0000 173.3147 115 A 4.7023 7.6845 120.3579 50.8831 20.4486 177.4874 116 K 4.4814 8.6324 119.1700 54.4743 33.9541 176.6991 117 I 4.0450 8.4793 126.4893 61.7256 37.5457 176.4167 118 V 4.0512 8.8093 121.8460 60.9084 33.5423 175.9050 119 T 4.2330 8.4057 114.4451 65.4211 70.8496 174.9704 120 D 4.5246 7.8135 127.7776 54.0614 40.1053 178.0885 121 L 4.3360 8.5227 125.4443 54.8567 41.1057 178.1133 122 D 4.8578 8.7388 119.1301 53.3673 40.9405 176.1283 123 D 4.6088 8.0588 117.6666 54.4825 41.6213 176.8164 124 L 4.3459 7.5780 122.7168 54.7565 40.8372 176.6442 125 T 4.1883 7.3691 111.4750 60.7567 70.0868 174.1674 126 P 4.5184 0.0000 0.0000 64.0946 31.3625 177.2206 127 S 4.3384 7.8365 113.8356 60.6223 63.8037 175.2401 128 V 4.0126 7.7071 112.9135 61.5418 31.5260 175.7507 129 L 4.6399 7.6673 120.1654 54.5883 42.8027 176.4116 130 G 4.2652 8.7986 109.0331 44.1904 0.0000 172.0464 131 E 5.7451 9.1185 117.6493 53.7534 34.0913 175.1309 132 A 4.9044 8.1481 121.2674 51.1456 22.3293 177.1300 133 E 4.0869 8.6656 121.2737 59.3505 30.6360 177.3442 134 T 5.7041 8.0474 107.8152 59.5153 73.0208 172.8817 135 V 4.8736 8.1478 121.9870 61.1708 34.6733 173.9373 136 E 5.0379 8.9161 124.7289 54.5186 33.4289 174.1405 137 E 4.6919 8.5791 122.0812 55.6105 30.8631 175.9216 138 R 4.3429 8.8774 125.4477 54.7536 34.0534 173.4970 139 K 5.3211 8.5238 127.5063 54.2759 33.4834 174.9820 140 I 4.2950 8.2713 129.4258 60.4902 39.2222 176.4792 141 G 3.9694 8.3826 116.3488 47.1368 0.0000 173.4604 142 D 4.8673 9.0029 122.5205 52.6194 39.6868 175.0325 143 D 4.8094 8.2832 120.4683 53.3473 42.3434 175.4015 144 R 4.8534 8.4404 121.7504 55.0259 31.9277 175.1114 145 M 5.1011 9.4028 123.4551 53.7242 36.8539 174.3591 146 T 5.1303 8.9517 115.5244 62.1724 72.0564 173.4812 147 F 5.3256 9.1730 125.4400 56.0737 41.6209 175.1286 148 V 4.6064 8.9448 124.5917 61.5480 32.5635 173.9695 149 M 4.6652 8.7334 126.9844 53.7096 35.1446 176.1228 150 G 3.5937 8.6221 106.9448 46.6103 0.0000 173.4839 151 C 4.3310 8.3076 117.3542 59.8599 28.5266 174.4007 152 K 4.1837 8.5129 123.7142 56.4760 31.8838 176.1145 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 M 8.16 4.48 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 2 S 8.48 4.48 0.00 3.92 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 3 G 7.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.50 1.85 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 1.08 0.79 0.89 0.00 0.00 5 V 8.38 4.55 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 0.90 0.00 0.00 0.48 0.00 0.00 6 I 8.91 4.45 2.05 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 1.17 0.92 0.97 0.00 0.00 7 D 8.38 4.85 0.00 2.65 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 8 K 7.42 4.61 0.00 1.78 1.67 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.40 7.81 9 E 8.44 4.68 0.00 2.16 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 2.20 2.24 0.00 10 K 7.97 3.83 0.00 1.06 0.74 0.00 1.56 0.00 0.00 1.52 0.00 0.00 3.29 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.23 7.81 11 V 8.50 3.75 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 0.66 0.00 0.00 0.92 0.00 0.00 12 H 7.62 4.98 0.00 2.99 3.12 0.00 5.72 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 13 S 8.58 4.22 0.00 3.84 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 14 K 8.01 4.14 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 15 M 7.61 4.52 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 16 P 0.00 4.42 0.00 2.29 2.12 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 17 D 8.84 4.69 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.70 4.75 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 0.74 0.00 0.00 0.92 0.00 0.00 19 V 8.69 4.34 1.93 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 0.90 0.00 0.00 0.92 0.00 0.00 20 K 8.79 4.47 0.00 1.67 1.71 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 21 N 8.74 4.06 0.00 2.76 2.78 0.00 0.00 6.87 6.97 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 22 A 8.46 4.74 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 23 K 9.42 4.87 0.00 1.72 1.74 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.44 7.81 24 I 8.75 4.96 1.88 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 1.16 0.68 0.93 0.00 0.00 25 A 9.30 4.85 1.23 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 0.00 0.00 26 L 8.54 5.07 0.00 1.64 1.60 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.01 4.81 1.89 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 1.13 0.81 1.00 0.00 0.00 28 D 9.51 4.43 0.00 2.93 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 29 S 7.99 4.49 0.00 4.05 3.87 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 30 A 8.28 4.29 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 31 L 8.39 4.53 0.00 1.82 1.70 0.93 0.88 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 32 E 7.58 5.12 0.00 1.91 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 2.26 2.37 0.00 33 I 7.58 3.86 1.53 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.81 0.00 0.00 34 K 8.45 4.18 0.00 1.80 1.75 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 35 K 8.74 3.80 0.00 1.78 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 36 T 7.93 3.86 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 37 E 8.09 3.97 0.00 2.05 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 2.40 2.38 0.00 38 I 7.86 4.08 2.17 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 1.05 0.00 0.00 39 E 8.35 3.96 0.00 2.17 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 2.33 2.59 0.00 40 A 7.80 4.10 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 41 K 7.42 3.72 0.00 0.85 0.74 0.00 1.85 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.55 7.81 42 V 7.38 3.49 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 0.98 0.00 0.00 1.05 0.00 0.00 43 Q 8.20 3.93 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 44 I 7.43 4.02 1.89 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 1.36 0.92 0.83 0.00 0.00 45 S 7.11 4.27 0.00 3.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.46 4.51 0.00 2.75 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 47 P 0.00 3.86 0.00 2.17 2.12 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 48 S 8.01 4.53 0.00 3.99 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 49 K 8.91 4.53 0.00 1.78 1.88 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.53 7.81 50 I 7.62 3.76 1.91 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 1.71 1.05 0.97 0.00 0.00 51 Q 8.11 4.04 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 52 D 8.04 4.38 0.00 2.98 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 53 F 8.41 4.06 0.00 3.20 3.29 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 54 L 8.09 3.71 0.00 1.72 1.68 0.95 0.72 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 55 N 8.10 4.33 0.00 2.86 2.83 0.00 0.00 6.58 7.02 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 56 Q 8.25 3.89 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 57 E 7.95 3.77 0.00 1.29 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 58 T 7.91 4.02 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 1.29 0.00 0.00 59 N 7.76 4.43 0.00 2.85 2.83 0.00 0.00 6.88 6.81 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 60 T 8.16 3.90 4.27 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 1.26 0.00 0.00 61 F 8.34 4.35 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 62 K 7.89 3.70 0.00 1.87 1.80 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.95 0.21 7.81 63 Q 7.89 3.88 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 64 M 7.92 4.12 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 65 V 7.83 3.48 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 0.98 0.00 0.00 0.37 0.00 0.00 66 E 8.01 4.07 0.00 2.09 1.89 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 2.39 2.23 0.00 67 K 7.49 4.07 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 68 I 7.38 3.92 2.00 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 1.41 1.14 0.91 0.00 0.00 69 K 7.95 3.88 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 70 K 8.20 4.13 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.57 7.81 71 S 7.57 4.48 0.00 4.16 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 72 G 8.22 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 73 A 6.89 4.25 1.21 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 0.00 0.00 74 N 8.88 5.14 0.00 2.77 2.99 0.00 0.00 6.46 7.66 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 75 V 7.64 5.18 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 1.10 0.00 0.00 0.93 0.00 0.00 76 V 9.54 4.92 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 0.82 0.00 0.00 0.95 0.00 0.00 77 L 8.92 5.15 0.00 1.63 1.65 0.97 0.64 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 78 C 9.33 4.86 0.00 2.98 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 79 Q 9.11 4.45 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.22 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 80 K 7.71 5.14 0.00 1.73 1.72 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 81 G 8.66 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 82 I 7.95 5.15 1.88 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 1.26 0.74 0.93 0.00 0.00 83 D 9.19 4.39 0.00 2.80 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 84 D 9.07 4.39 0.00 2.78 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 85 V 8.60 3.42 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 0.47 0.00 0.00 0.85 0.00 0.00 86 A 8.01 3.71 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 87 Q 8.34 3.91 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 88 H 7.58 4.00 0.00 3.15 3.22 0.00 5.80 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 89 Y 7.73 4.37 0.00 3.11 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 90 L 7.98 4.01 0.00 1.67 1.70 0.90 0.81 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 91 A 7.74 4.00 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 92 K 7.97 4.04 0.00 2.09 1.78 0.00 1.48 0.00 0.00 1.43 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 93 E 8.44 4.26 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 2.31 2.67 0.00 94 G 7.38 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 95 I 7.57 4.42 1.88 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 1.13 0.78 0.98 0.00 0.00 96 Y 8.77 4.36 0.00 3.04 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 97 A 8.29 5.18 1.18 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 0.00 0.00 98 V 8.75 4.76 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 1.04 0.00 0.00 1.07 0.00 0.00 99 R 8.46 4.99 0.00 2.03 1.86 0.00 3.24 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 100 R 8.50 4.11 0.00 2.00 2.07 0.00 3.13 0.00 0.00 3.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 101 V 7.79 3.76 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 0.99 0.00 0.00 0.97 0.00 0.00 102 K 8.67 4.02 0.00 1.85 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 103 K 8.74 3.91 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.52 7.81 104 S 8.00 4.12 0.00 4.09 4.11 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 0.00 105 D 8.09 4.53 0.00 2.93 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 0.00 106 M 8.10 4.08 0.00 2.05 2.28 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 2.63 2.94 0.00 107 E 8.29 4.00 0.00 2.03 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 2.33 2.32 0.00 108 K 8.59 3.92 0.00 1.87 2.03 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 109 L 8.37 4.09 0.00 1.96 1.70 0.98 1.06 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 0.00 110 A 7.88 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.80 0.00 1.76 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 112 A 7.67 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.25 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 114 G 8.41 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 0.00 115 A 7.68 4.70 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 0.00 116 K 8.63 4.48 0.00 1.58 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.53 7.81 117 I 8.48 4.04 1.88 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 1.35 0.47 0.92 0.00 0.00 118 V 8.81 4.05 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 119 T 8.41 4.23 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 1.28 0.00 0.00 120 D 7.81 4.52 0.00 2.99 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 0.00 121 L 8.52 4.34 0.00 1.65 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.74 4.86 0.00 2.68 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 0.00 123 D 8.06 4.61 0.00 2.84 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 0.00 124 L 7.58 4.35 0.00 1.61 1.62 0.97 0.98 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 0.00 125 T 7.37 4.19 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 0.00 126 P 0.00 4.52 0.00 2.20 2.42 0.00 3.75 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 1.98 1.95 0.00 127 S 7.84 4.34 0.00 4.00 4.03 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 0.00 128 V 7.71 4.01 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 0.69 0.00 0.00 1.04 0.00 0.00 129 L 7.67 4.64 0.00 1.53 1.59 0.98 0.88 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 0.00 130 G 8.80 4.27 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 0.00 131 E 9.12 5.75 0.00 2.06 1.78 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 2.21 2.12 0.00 132 A 8.15 4.90 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 0.00 133 E 8.67 4.09 0.00 1.98 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 2.32 2.40 0.00 134 T 8.05 5.70 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 1.20 0.00 0.00 135 V 8.15 4.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.84 0.00 0.00 136 E 8.92 5.04 0.00 1.95 1.89 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 2.19 2.11 0.00 137 E 8.58 4.69 0.00 2.22 1.95 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 2.32 2.13 0.00 138 R 8.88 4.34 0.00 1.03 0.85 0.00 2.93 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 139 K 8.52 5.32 0.00 1.74 1.67 0.00 1.62 0.00 0.00 2.35 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.38 7.81 140 I 8.27 4.30 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.96 0.00 0.00 141 G 8.38 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 0.00 142 D 9.00 4.87 0.00 2.77 2.73 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 0.00 143 D 8.28 4.81 0.00 2.95 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.85 0.00 1.74 1.84 0.00 3.49 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 145 M 9.40 5.10 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 146 T 8.95 5.13 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 147 F 9.17 5.33 0.00 2.86 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 0.00 148 V 8.94 4.61 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 0.97 0.00 0.00 0.95 0.00 0.00 149 M 8.73 4.67 0.00 2.04 1.95 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 2.59 2.47 0.00 150 G 8.62 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 0.00 0.00 0.00 151 C 8.31 4.33 0.00 3.14 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 0.00 152 K 8.51 4.18 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.63 7.81