NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3976 8.2649 123.5798 52.4780 18.9021 175.2572 3 R 4.5313 8.3545 117.6615 58.2609 36.7979 175.4414 4 R 4.0824 9.0224 116.5154 58.8519 31.1327 176.7149 5 R 4.6818 7.5104 113.2169 54.5874 33.9658 174.8111 6 R 4.1895 8.5710 118.6319 55.2677 31.1073 177.5328 7 A 3.6749 7.8448 119.2461 52.6271 17.2257 176.0071 8 E 4.4694 8.4391 114.8149 54.7914 32.3861 175.5072 9 V 3.6106 8.4422 123.9301 63.2750 32.0489 175.2984 10 R 4.3851 8.3011 125.1462 54.5507 30.9139 176.3325 11 Q 4.0375 8.6563 122.6751 55.7215 29.0129 176.5260 12 L 3.9866 8.4643 123.2142 54.7856 42.1988 177.2613 13 Q 3.9943 8.5215 120.8919 55.2186 28.0604 174.4582 14 P 4.2698 0.0000 0.0000 62.3003 31.6393 175.0859 15 D 4.5920 8.3091 117.4082 54.5028 41.8288 175.9363 16 L 4.4349 8.2917 119.1677 56.3864 43.7639 178.8147 17 V 3.7520 8.0602 116.0087 65.1683 31.7001 175.9882 18 Y 4.3738 7.7036 114.2485 56.2064 40.0798 173.1557 19 G 4.2005 8.4916 111.1274 44.3327 0.0000 170.8531 20 D 4.3710 7.7366 118.7499 52.4446 44.6179 177.3410 21 V 3.6449 8.2521 120.6768 64.6519 31.4885 178.4063 22 L 4.0419 8.0504 116.8377 57.9473 41.2720 179.2525 23 V 3.7728 8.0946 118.9963 65.8093 31.6445 177.6045 24 T 3.8275 7.6645 107.4198 63.1921 68.3891 175.1916 25 A 4.0065 8.2810 123.6012 55.6773 18.0411 178.8687 26 F 4.5016 8.6387 119.0398 60.5379 40.1493 176.9838 27 I 3.5828 7.4126 119.1876 64.6769 36.6556 177.7136 28 N 4.2795 7.9547 115.9662 56.3304 38.4323 176.9540 29 K 4.1977 7.1361 115.2745 58.7018 32.5780 178.9429 30 I 3.6249 7.5438 119.7403 63.3843 37.7685 177.1095 31 M 4.2822 7.6102 119.1650 54.3352 30.4191 174.9279 32 R 3.9215 7.6649 120.1906 56.7915 30.5122 175.8491 33 D 4.6994 8.8110 125.4637 55.6754 39.5297 172.7533 34 G 2.9911 6.7722 107.9043 44.6046 0.0000 172.1206 35 K 4.3079 7.4116 121.6399 54.7108 34.0383 176.4147 36 K 4.0874 8.6747 127.7488 58.0903 32.7631 177.0007 37 N 4.5167 7.9729 116.2656 56.3116 39.3052 175.9504 38 L 3.8162 7.8056 118.7630 58.6247 42.4786 178.5750 39 A 4.0517 8.0889 120.2870 55.3493 18.5825 178.6857 40 A 4.4737 7.7231 115.3756 52.7292 18.3823 178.1838 41 R 4.6071 8.5378 117.7849 58.2453 32.9750 177.3967 42 I 4.1890 7.7896 114.4701 62.1054 36.7221 176.3307 43 F 4.5579 8.5390 119.9311 58.1427 40.5546 176.9998 44 Y 4.6990 8.5558 116.9877 57.8467 37.3830 175.3167 45 D 4.8146 8.7468 119.6027 53.7725 45.7757 177.1313 46 A 3.9108 8.3371 121.8599 55.1509 18.2756 179.2684 47 C 3.9382 7.9592 112.3301 61.4645 29.8229 175.9949 48 K 4.0838 8.0906 120.2124 58.5738 31.2372 179.1706 49 I 3.6819 7.6291 120.7025 64.3970 36.7514 178.2049 50 I 3.7334 7.2122 120.0669 64.6326 36.8299 178.3413 51 Q 3.9317 7.9940 118.4647 56.6541 28.9899 177.5242 52 E 4.2325 8.5298 116.9210 56.7468 29.0814 177.8737 53 K 4.4752 5.6600 123.4395 60.4041 32.9876 176.8066 54 T 4.1462 7.5806 116.2786 62.9250 68.8564 176.0988 55 G 3.9143 8.7861 112.5187 46.7791 0.0000 172.8171 56 Q 4.6868 7.8556 117.7671 53.4587 32.7243 175.2614 57 E 4.2582 8.4627 119.5458 55.3850 30.5542 176.3526 58 P 4.2597 0.0000 0.0000 66.2538 30.7982 178.2042 59 L 4.1235 8.0794 118.5812 58.1721 41.9093 178.6480 60 K 4.2256 7.8789 116.3395 57.5914 33.3472 177.9820 61 V 4.1396 7.8010 121.7658 61.5678 31.5590 175.1602 62 F 4.7939 8.0675 133.4681 58.5432 38.5970 176.9387 63 K 4.2585 9.1997 116.8938 56.4502 32.6267 177.5418 64 Q 3.9889 8.4278 123.0211 59.2348 29.0475 176.5620 65 A 3.8672 7.8675 121.7940 54.8826 18.2718 179.1464 66 V 3.4476 7.6382 115.5990 66.1377 31.5183 177.5821 67 E 4.0102 7.6966 117.3745 59.5081 29.6636 178.1830 68 N 4.5250 7.6478 112.8370 53.6058 39.5072 175.2678 69 V 4.0700 7.3556 119.9269 62.5996 32.0571 176.7432 70 K 4.4929 7.5000 117.5230 53.8734 32.4229 174.8406 71 P 4.6022 0.0000 0.0000 61.9817 33.5748 176.8808 72 R 4.5472 8.4825 114.7371 56.4189 31.4842 174.5513 73 M 4.9280 7.4714 116.8657 53.9750 35.5231 172.9756 74 E 4.6565 8.2100 115.8588 56.5711 31.8176 174.1193 75 V 4.3307 8.2895 118.6174 61.4971 32.7601 174.8986 76 R 4.5239 8.0810 125.8840 56.3520 33.3128 173.7199 77 S 4.6073 8.1159 110.8629 58.5914 65.1316 174.6349 78 R 4.3790 8.0559 121.6086 55.6859 32.5693 174.4321 79 R 4.5157 8.3881 123.5903 55.0137 31.3880 174.3250 80 V 4.3024 7.7739 115.3464 61.6586 34.2453 176.2769 81 G 4.9159 7.3853 115.8808 44.5049 0.0000 174.2305 82 G 5.0130 7.4285 122.8682 46.1220 0.0000 172.4501 83 A 4.5318 7.4065 120.7636 50.1206 22.3691 174.4635 84 N 4.7197 7.9772 116.3159 52.0661 40.6775 173.2208 85 Y 5.0021 8.2642 122.8513 55.9540 41.2013 174.9786 86 Q 4.0764 9.1735 123.9569 56.9984 29.4624 177.0127 87 V 4.2519 8.4326 125.4760 60.6011 31.8607 173.4416 88 P 4.8302 0.0000 0.0000 62.7073 32.5519 175.9526 89 M 4.5874 8.2666 116.2856 55.6396 33.9984 173.8880 90 E 3.8582 9.1363 118.9463 57.1551 30.1241 176.9307 91 V 4.4550 8.3003 125.1926 60.9965 33.6539 174.7147 92 S 4.8703 8.1889 119.8607 55.3042 65.7824 173.3015 93 P 4.2963 0.0000 0.0000 65.2196 30.7005 178.1706 94 R 3.8050 7.9951 118.0870 59.9783 30.0819 177.3210 95 R 4.2084 7.8734 116.8816 58.3211 30.4233 177.8804 96 Q 3.9984 7.7890 118.6408 59.0927 28.4777 179.2016 97 Q 3.9534 7.6744 116.8011 59.6254 28.8223 178.9848 98 S 4.2617 7.9405 117.0477 61.0691 63.1300 176.5695 99 L 4.0883 8.6974 121.6097 57.4558 41.1164 178.9474 100 A 4.2930 8.2782 119.7579 53.6687 18.3057 178.1625 101 L 4.1109 7.6582 116.3351 54.1878 42.5091 178.0825 102 R 3.7023 8.4419 120.5084 59.0451 29.9862 177.9500 103 W 4.3846 8.4720 119.2765 59.1513 28.9117 178.1044 104 L 3.9926 7.2296 117.8497 58.6674 41.4074 179.1415 105 V 3.7779 8.2611 117.8215 66.4399 31.1968 177.7286 106 Q 4.1844 8.0733 116.3243 59.3037 28.2309 177.7948 107 A 4.5436 8.5411 119.5653 52.1801 18.4190 177.2135 108 A 4.6679 8.3474 119.1331 52.0844 19.6015 176.2115 109 N 4.8751 7.3129 110.8198 55.3529 41.8959 176.2322 110 Q 4.3827 7.6921 124.0862 56.0453 27.0552 174.9214 111 R 4.6915 7.7725 119.4372 53.7599 34.2297 173.8847 112 P 5.0087 0.0000 0.0000 63.4041 32.4646 176.8329 113 E 4.8110 7.4766 119.5491 57.6802 29.7540 175.6693 114 R 4.6247 8.2065 127.9323 55.7126 31.7232 175.1981 115 R 4.0191 8.6518 122.2373 57.0780 31.9627 176.6521 116 A 3.9202 8.7157 120.5511 55.9174 18.2903 179.4990 117 A 4.2788 7.9126 119.2699 55.2719 18.3904 179.7318 118 V 3.5092 7.7608 115.4257 66.2179 31.4556 178.2551 119 R 3.9339 7.7538 116.4018 59.4161 30.1157 178.5794 120 I 3.7532 8.4250 119.5462 64.4982 37.1566 177.8536 121 A 4.2105 7.8753 120.6224 55.8809 18.0465 179.2502 122 H 4.4652 8.1282 109.2009 56.9163 28.6914 175.8474 123 E 4.6474 8.1681 121.3928 55.9318 31.9607 177.5040 124 L 3.9138 8.7300 119.0825 58.1959 41.8980 178.5651 125 M 4.1753 7.9852 117.0947 58.2889 32.0575 176.5259 126 D 4.8572 7.9775 118.6781 54.9218 41.2634 176.1749 127 A 4.7332 7.9437 117.5963 50.7729 19.5539 176.3326 128 A 4.5731 7.6471 122.1404 53.0306 22.5260 177.7710 129 E 3.8178 8.5110 117.9694 55.4719 31.4279 177.7599 130 G 4.9629 6.6581 125.5297 46.5101 0.0000 172.3324 131 K 4.5097 7.6407 116.8336 55.9472 35.7713 174.4378 132 G 4.1140 8.1098 111.8581 44.5242 0.0000 175.6894 133 G 4.0819 8.8630 111.1886 45.3657 0.0000 174.0122 134 A 4.1682 8.0710 122.3325 53.9420 18.1871 179.0557 135 V 3.3838 8.4246 117.9211 65.3821 32.0816 175.9105 136 K 3.7862 8.2326 118.0875 59.9443 31.7998 178.2299 137 K 4.9064 8.6734 119.9536 58.8133 32.1756 179.3805 138 K 3.6253 8.0997 119.5510 59.6108 32.4607 178.5383 139 E 4.7840 8.4506 120.3335 58.7254 29.2332 179.1083 140 D 4.3646 7.8538 119.0110 57.5559 41.0492 178.9084 141 V 3.6949 7.9015 118.3899 66.1721 31.4980 177.8821 142 E 4.0798 8.0718 117.9748 59.1526 29.1154 179.0339 143 R 4.1234 7.9234 116.7568 58.0534 30.9931 177.4257 144 M 4.4687 7.5871 119.6143 55.7992 30.7959 174.9017 145 A 4.5929 7.4859 127.8073 49.6507 21.5924 177.4848 146 E 3.6415 9.4507 117.9208 59.1304 27.9551 175.5546 147 A 4.5097 8.9001 123.1557 52.9308 19.4919 179.3325 148 N 4.2590 8.2162 116.7196 55.5496 43.9952 177.1781 149 R 3.7817 7.6819 116.6757 58.4714 30.2270 177.1267 150 A 4.0328 7.3114 119.2210 54.9257 18.7997 177.7065 151 Y 4.6588 7.2844 116.2861 57.3909 36.2339 174.3069 152 A 4.5154 7.5195 123.7332 53.8808 21.6829 177.5341 153 H 4.2147 8.4694 109.7329 58.6970 28.6597 175.2200 154 Y 4.2701 7.3188 118.6099 58.0467 36.8532 175.0523 155 R 4.4441 8.2377 123.9220 54.6444 32.7121 176.5897 156 W 3.9864 7.9338 121.1981 57.2261 29.1284 173.8489 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 2 A 8.26 4.40 1.28 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 0.00 0.00 3 R 8.35 4.53 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 4 R 9.02 4.08 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 R 7.51 4.68 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 6 R 8.57 4.19 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 A 7.84 3.67 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 8 E 8.44 4.47 0.00 1.90 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 2.21 2.28 0.00 9 V 8.44 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 10 R 8.30 4.39 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 Q 8.66 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 L 8.46 3.99 0.00 1.62 1.62 0.99 1.01 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 13 Q 8.52 3.99 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 P 0.00 4.27 0.00 2.19 2.13 0.00 3.78 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 2.01 1.99 0.00 15 D 8.31 4.59 0.00 2.99 2.72 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 16 L 8.29 4.43 0.00 1.66 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.06 3.75 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 0.63 0.00 0.00 1.08 0.00 0.00 18 Y 7.70 4.37 0.00 3.11 2.96 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 19 G 8.49 4.20 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 0.00 20 D 7.74 4.37 0.00 2.69 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 21 V 8.25 3.64 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 0.81 0.00 0.00 0.95 0.00 0.00 22 L 8.05 4.04 0.00 1.77 1.71 1.10 0.78 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 23 V 8.09 3.77 2.23 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 0.89 0.00 0.00 0.93 0.00 0.00 24 T 7.66 3.83 4.20 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 1.15 0.00 0.00 25 A 8.28 4.01 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 26 F 8.64 4.50 0.00 3.10 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 27 I 7.41 3.58 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.72 0.00 0.00 28 N 7.95 4.28 0.00 3.05 2.91 0.00 0.00 7.07 7.31 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 29 K 7.14 4.20 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.74 7.81 30 I 7.54 3.62 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.85 0.00 0.00 31 M 7.61 4.28 0.00 2.16 1.98 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 2.72 2.53 0.00 32 R 7.66 3.92 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 D 8.81 4.70 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 6.77 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 0.00 0.00 0.00 35 K 7.41 4.31 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.40 7.81 36 K 8.67 4.09 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 N 7.97 4.52 0.00 2.82 2.77 0.00 0.00 6.67 6.54 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 38 L 7.81 3.82 0.00 1.77 1.84 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.09 4.05 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 40 A 7.72 4.47 1.44 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 41 R 8.54 4.61 0.00 2.06 1.91 0.00 3.08 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 42 I 7.79 4.19 1.98 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 1.36 0.81 0.89 0.00 0.00 43 F 8.54 4.56 0.00 3.12 3.01 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 44 Y 8.56 4.70 0.00 2.98 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 45 D 8.75 4.81 0.00 2.79 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 46 A 8.34 3.91 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 47 C 7.96 3.94 0.00 3.17 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 48 K 8.09 4.08 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.59 7.81 49 I 7.63 3.68 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.90 0.00 0.00 50 I 7.21 3.73 2.06 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 1.40 0.84 1.00 0.00 0.00 51 Q 7.99 3.93 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 52 E 8.53 4.23 0.00 2.18 1.52 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 2.28 2.46 0.00 53 K 5.66 4.48 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 T 7.58 4.15 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 1.29 0.00 0.00 55 G 8.79 3.91 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 0.00 0.00 0.00 56 Q 7.86 4.69 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 57 E 8.46 4.26 0.00 2.05 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 2.42 2.31 0.00 58 P 0.00 4.26 0.00 2.26 2.48 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 59 L 8.08 4.12 0.00 1.71 1.81 1.01 0.63 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 60 K 7.88 4.23 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 V 7.80 4.14 2.18 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 0.73 0.00 0.00 0.98 0.00 0.00 62 F 8.07 4.79 0.00 3.07 2.36 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 0.00 63 K 9.20 4.26 0.00 1.87 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.55 7.81 64 Q 8.43 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 7.87 3.87 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 66 V 7.64 3.45 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 0.83 0.00 0.00 0.84 0.00 0.00 67 E 7.70 4.01 0.00 1.98 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 0.00 2.29 2.35 0.00 68 N 7.65 4.53 0.00 2.55 2.69 0.00 0.00 6.86 9.03 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 69 V 7.36 4.07 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 0.73 0.00 0.00 0.84 0.00 0.00 70 K 7.50 4.49 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 71 P 0.00 4.60 0.00 2.22 2.07 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 72 R 8.48 4.55 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 73 M 7.47 4.93 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 74 E 8.21 4.66 0.00 2.07 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 2.20 2.30 0.00 75 V 8.29 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 76 R 8.08 4.52 0.00 2.05 1.82 0.00 3.49 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 77 S 8.12 4.61 0.00 3.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.38 0.00 1.74 1.70 0.00 3.51 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 79 R 8.39 4.52 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 V 7.77 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 0.87 0.00 0.00 0.98 0.00 0.00 81 G 7.39 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.43 5.01 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 0.00 83 A 7.41 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.98 4.72 0.00 2.54 2.54 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.26 5.00 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 9.17 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 87 V 8.43 4.25 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 0.31 0.00 0.00 0.67 0.00 0.00 88 P 0.00 4.83 0.00 2.23 2.29 0.00 4.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 89 M 8.27 4.59 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 90 E 9.14 3.86 0.00 2.01 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 2.35 2.37 0.00 91 V 8.30 4.46 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 0.94 0.00 0.00 1.07 0.00 0.00 92 S 8.19 4.87 0.00 4.01 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 93 P 0.00 4.30 0.00 2.29 2.36 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 94 R 8.00 3.81 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 95 R 7.87 4.21 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 Q 7.79 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 97 Q 7.67 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 98 S 7.94 4.26 0.00 3.91 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 99 L 8.70 4.09 0.00 1.75 1.86 0.98 1.10 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 0.00 100 A 8.28 4.29 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 0.00 101 L 7.66 4.11 0.00 1.22 0.13 1.04 0.38 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 0.00 102 R 8.44 3.70 0.00 1.84 1.81 0.00 2.62 0.00 0.00 2.80 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 103 W 8.47 4.38 0.00 3.38 3.19 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 0.00 0.00 0.00 0.00 104 L 7.23 3.99 0.00 1.50 1.83 0.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.26 3.78 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 0.98 0.00 0.00 1.34 0.00 0.00 106 Q 8.07 4.18 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 107 A 8.54 4.54 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 0.00 108 A 8.35 4.67 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 0.00 109 N 7.31 4.88 0.00 2.74 2.71 0.00 0.00 6.92 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 0.00 110 Q 7.69 4.38 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 111 R 7.77 4.69 0.00 1.82 1.77 0.00 3.18 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 112 P 0.00 5.01 0.00 2.18 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 113 E 7.48 4.81 0.00 1.97 1.53 0.00 0.00 0.00 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 2.48 0.00 114 R 8.21 4.62 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 8.65 4.02 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 116 A 8.72 3.92 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 0.00 117 A 7.91 4.28 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 0.00 118 V 7.76 3.51 2.18 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 1.10 0.00 0.00 0.92 0.00 0.00 119 R 7.75 3.93 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 120 I 8.43 3.75 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.82 0.00 0.00 121 A 7.88 4.21 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 0.00 122 H 8.13 4.47 0.00 3.32 3.32 0.00 5.62 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 0.00 123 E 8.17 4.65 0.00 2.29 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 0.00 2.35 2.27 0.00 124 L 8.73 3.91 0.00 1.61 1.72 0.93 -0.15 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 0.00 125 M 7.99 4.18 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 126 D 7.98 4.86 0.00 3.02 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 0.00 127 A 7.94 4.73 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 0.00 128 A 7.65 4.57 1.14 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 0.00 0.00 0.00 129 E 8.51 3.82 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 2.30 2.25 0.00 130 G 6.66 4.96 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 0.00 131 K 7.64 4.51 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.37 7.81 132 G 8.11 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 0.00 0.00 0.00 133 G 8.86 4.08 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 0.00 0.00 0.00 134 A 8.07 4.17 1.17 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 0.00 0.00 135 V 8.42 3.38 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 0.99 0.00 0.00 0.79 0.00 0.00 136 K 8.23 3.79 0.00 1.93 1.73 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 137 K 8.67 4.91 0.00 2.77 2.26 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 138 K 8.10 3.63 0.00 0.79 1.44 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.05 7.81 139 E 8.45 4.78 0.00 2.10 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 2.26 2.24 0.00 140 D 7.85 4.36 0.00 2.99 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 0.00 141 V 7.90 3.69 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.32 0.00 0.00 142 E 8.07 4.08 0.00 2.22 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 2.65 0.00 143 R 7.92 4.12 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 144 M 7.59 4.47 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 145 A 7.49 4.59 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 0.00 146 E 9.45 3.64 0.00 2.10 1.71 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 2.26 2.19 0.00 147 A 8.90 4.51 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 0.00 148 N 8.22 4.26 0.00 2.72 2.81 0.00 0.00 6.69 7.40 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 0.00 149 R 7.68 3.78 0.00 1.79 1.96 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 150 A 7.31 4.03 1.13 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 0.00 151 Y 7.28 4.66 0.00 3.33 2.89 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 0.00 152 A 7.52 4.52 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 0.00 153 H 8.47 4.21 0.00 3.26 3.38 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.32 4.27 0.00 2.58 2.37 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 0.00 155 R 8.24 4.44 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 156 W 7.93 3.99 0.00 3.59 2.93 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