NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3154 8.4449 118.7975 54.8102 31.4805 175.6106 3 P 4.0210 0.0000 0.0000 62.3431 31.7083 174.4499 4 A 4.1688 9.2472 127.7882 52.4225 19.8772 177.1218 5 M 4.1910 8.6263 122.9517 57.7560 32.5810 177.1770 6 E 4.0394 7.9867 119.2485 55.1129 30.3306 174.5229 7 P 4.3146 0.0000 0.0000 62.1960 32.0182 175.8700 8 E 4.0036 8.7160 123.4146 56.6626 30.2259 177.3399 9 T 4.1983 8.2486 115.2555 61.4296 71.0709 175.6650 10 L 4.0802 8.4331 122.1707 58.0195 41.6828 179.7553 11 E 3.9831 8.2114 117.9229 59.3905 29.2837 179.0243 12 A 4.0332 8.2145 120.8604 55.1216 18.4442 179.9556 13 R 3.9307 8.2627 116.6356 59.5962 30.3986 179.2429 14 I 3.3938 8.1389 118.5367 63.9280 37.3901 177.6438 15 N 4.3206 8.2742 117.5457 56.0108 38.0550 177.2195 16 R 3.7228 7.5245 119.1408 58.9411 30.3472 177.9779 17 A 4.0969 7.9238 119.6197 53.7643 18.3896 177.9889 18 T 4.1279 7.0635 104.8418 60.7616 69.6741 173.5627 19 N 4.2649 7.5241 121.9301 53.4955 39.0891 174.1075 20 P 4.5322 0.0000 0.0000 65.1848 31.6410 177.5380 21 L 4.2377 8.4321 117.7417 56.6872 41.8517 177.3837 22 N 4.4232 7.9891 116.3910 53.8874 38.8245 175.3421 23 K 4.2051 8.7591 121.9925 58.6607 32.6951 176.5256 24 E 4.8791 7.8942 115.6013 54.2521 33.6125 174.5577 25 L 3.6939 8.6988 119.8403 56.0690 42.1085 178.8632 26 D 4.6122 7.9890 123.6034 52.6099 38.8052 176.5243 27 W 4.1991 8.1071 123.6631 59.0798 29.4719 177.5060 28 A 4.0854 8.0929 120.4881 55.3543 17.9194 179.7400 29 S 4.1093 8.1332 113.7025 61.6143 63.0023 176.9516 30 I 3.6682 8.0042 122.7604 64.6361 36.9102 178.3212 31 N 4.5965 9.0394 117.7367 56.2242 38.1237 177.7528 32 G 3.6544 8.1790 106.4999 47.7216 0.0000 175.2004 33 F 4.2156 8.4738 123.1150 61.2729 39.2825 176.6549 34 C 4.0716 8.2035 115.7094 60.0253 39.7783 176.0031 35 E 3.6053 8.1795 119.0401 58.5718 28.8360 178.1849 36 Q 4.2915 7.5601 118.2604 56.6735 29.7640 176.9068 37 L 3.9178 7.0263 119.7764 57.7139 39.1395 177.8118 38 N 4.5936 7.7308 116.2195 54.0565 38.9113 176.3057 39 E 4.0572 7.6319 117.8652 58.1365 29.7960 175.6219 40 D 4.7842 7.1647 116.3641 51.6233 42.7363 174.9806 41 F 4.2215 8.8170 120.4818 61.3968 39.6899 175.9935 42 E 3.9919 8.3660 118.5696 57.7617 29.5046 178.5035 43 G 4.1049 7.8134 108.2844 46.8987 0.0000 173.9532 44 P 4.3286 0.0000 0.0000 64.2486 31.5546 177.1984 45 P 4.1617 0.0000 0.0000 65.2165 31.2040 178.2772 46 L 3.9101 7.7628 118.6060 58.1576 41.9536 178.7712 47 A 4.2535 8.3619 121.2847 55.6723 18.2287 179.7782 48 T 3.8082 8.0644 108.1796 64.8204 68.9208 177.1804 49 R 4.0220 8.1049 120.9881 59.0526 30.1334 179.0081 50 L 4.0860 8.3999 119.1373 57.8410 41.6161 179.5753 51 L 4.0126 8.5651 119.1575 57.7249 41.3544 179.3212 52 A 4.0642 8.4383 120.0848 55.4650 18.5234 178.8559 53 H 4.2584 8.1964 116.1091 59.5139 30.0198 177.7108 54 K 3.9064 8.0217 120.1603 59.4957 31.6037 179.4592 55 I 3.8419 7.8038 119.3026 63.8807 37.0426 177.4766 56 Q 4.2751 7.3954 116.3952 55.1540 29.0164 176.0922 57 S 4.1955 7.3357 116.2022 57.6251 62.8597 172.5885 58 P 4.3163 0.0000 0.0000 64.4859 31.9291 176.8434 59 Q 4.2906 8.0442 119.7819 54.6247 28.8585 175.5751 60 E 3.9609 8.8275 126.7600 59.3758 29.7125 178.5689 61 W 4.5713 8.2773 127.5214 60.2430 30.7739 177.4260 62 E 3.7934 8.2119 118.8598 59.1810 29.1529 178.5240 63 A 4.0847 7.8295 120.4289 55.2062 18.4453 179.6940 64 I 3.6566 8.1431 118.7461 64.5149 37.1140 178.6530 65 Q 3.4995 7.6440 118.6031 58.7279 28.4218 178.6781 66 A 3.8162 7.7796 121.6296 55.2638 18.2860 179.7435 67 L 4.0561 8.1291 117.4767 58.1980 41.6728 179.8845 68 T 3.9155 7.8905 115.8850 66.2889 68.2073 177.0023 69 V 3.5314 7.8021 120.4974 65.8065 31.6014 177.6615 70 L 4.1728 8.0921 120.1345 58.3336 41.7862 178.4275 71 E 4.3033 8.6801 119.3661 59.9378 29.6163 179.0511 72 T 4.0738 8.2031 115.5819 67.0012 68.5046 176.3055 73 C 4.3369 8.6355 120.1643 59.5509 39.8593 176.0535 74 M 4.0313 8.2021 119.7892 58.2080 31.5278 178.6516 75 K 4.2229 7.8558 118.4167 59.0958 32.6843 178.8641 76 S 4.4941 8.2565 113.6466 58.8737 63.5224 174.1921 77 C 4.5745 7.8108 119.9296 58.5240 30.5366 174.1070 78 G 4.0835 7.8109 109.2707 45.4879 0.0000 175.9020 79 K 3.8265 8.7283 121.1846 59.4702 32.3329 178.8651 80 R 3.8565 7.9385 117.8832 59.2800 29.9851 178.6548 81 F 4.0001 8.0976 119.6960 61.6863 39.5270 176.6052 82 H 3.8423 8.3874 115.7806 59.0274 28.1965 177.5457 83 D 4.2749 8.0898 120.2008 57.1530 40.8040 178.3312 84 E 3.9393 7.7380 118.7980 59.2044 29.2321 179.4778 85 V 3.1758 7.1444 117.5803 65.0110 31.4238 177.2332 86 G 3.8236 7.4742 103.6166 43.7199 0.0000 173.3073 87 K 4.3783 6.9868 120.2500 54.3917 34.1079 177.9454 88 F 4.4458 8.1528 120.0621 60.3310 38.5406 177.7177 89 R 3.9633 8.1780 117.7730 59.4027 29.9485 177.6070 90 F 4.4639 8.0841 119.3080 61.0674 39.7171 177.2845 91 L 3.9289 8.3433 118.9665 58.0228 41.3827 179.2761 92 N 4.2568 8.6626 116.6952 56.3651 38.1647 177.2581 93 E 3.8771 7.8361 119.4041 58.9981 29.6402 179.0219 94 L 4.0204 7.4187 118.6992 57.6773 41.7899 179.0303 95 I 3.6991 7.8450 119.9906 64.6931 37.0289 178.6013 96 K 3.9563 8.0706 118.9219 59.3360 31.6150 179.6181 97 V 3.5839 7.5726 118.8200 65.5497 31.2473 177.8612 98 V 4.0120 7.6187 109.4517 61.8961 32.5766 175.9939 99 S 4.4619 7.9972 116.0229 56.8611 62.8113 173.2746 100 P 4.2729 0.0000 0.0000 65.1640 31.3702 178.7054 101 K 3.8381 7.7919 117.0654 58.2490 33.5157 177.1914 102 Y 4.3514 7.7391 111.5542 58.0371 38.6039 176.0038 103 L 4.5934 5.7658 132.3478 55.1900 43.4935 178.7521 104 G 3.8669 8.4721 109.4597 48.8758 0.0000 176.1633 105 S 4.2573 8.1059 113.5820 60.1934 63.1421 174.9161 106 R 4.6174 7.7828 115.2630 55.8033 29.7636 175.3974 107 T 4.2430 7.4286 113.9496 63.0660 69.4869 175.3084 108 S 4.2162 8.4756 119.3219 58.3657 64.0670 175.0522 109 E 3.9734 8.9210 128.0657 59.6241 29.2993 179.5641 110 K 3.9296 7.9124 119.4503 59.4108 32.2449 179.1455 111 V 3.6105 7.6869 118.0749 65.8851 31.6201 178.0241 112 K 3.9999 8.1662 118.2702 59.6027 31.8225 179.1218 113 N 4.3658 8.4978 117.0900 56.1526 38.4153 177.4454 114 K 3.9348 8.0685 120.9866 59.3859 32.2583 178.9189 115 I 3.6622 7.8188 120.1652 64.4648 37.0309 178.4309 116 L 4.1255 7.9958 119.7376 57.7060 41.3457 179.3853 117 E 3.9638 8.3853 118.7225 59.4002 29.4007 179.4955 118 L 3.3696 7.7718 118.8156 57.4216 41.6006 179.3605 119 L 3.8063 7.4878 118.8555 57.9985 41.1404 179.0057 120 Y 3.1395 7.8267 119.4012 60.3149 38.5809 178.1415 121 S 3.9684 7.9678 115.2917 61.4972 62.8470 176.6910 122 W 4.3660 7.9617 122.8663 59.3641 28.4935 178.5830 123 T 3.7790 7.5173 109.3230 64.3575 68.0206 176.0655 124 V 3.8847 6.9351 119.2803 65.0332 31.9833 177.8804 125 G 3.8391 8.2237 104.7252 46.3008 0.0000 173.9162 126 L 5.1441 8.4809 119.6377 51.3222 42.0784 175.6211 127 P 4.4155 0.0000 0.0000 64.9459 32.1246 178.5115 128 E 4.0557 8.1191 118.8903 59.1730 29.8082 176.3221 129 E 4.4922 7.9984 119.4442 55.4918 27.7105 177.5280 130 V 3.6936 7.9844 117.4114 64.1128 31.8273 177.8744 131 K 3.9973 7.8405 117.7837 59.0021 31.8948 179.2815 132 I 3.7913 7.7019 119.6829 64.3175 37.0530 177.9965 133 A 4.1235 7.9021 121.1077 55.3486 18.2348 179.5586 134 E 4.0062 8.5795 116.9322 59.4981 29.5204 179.5023 135 A 4.1366 8.5084 120.9627 55.4121 18.5059 179.1089 136 Y 4.0253 8.3743 118.1610 60.8096 38.8325 177.8584 137 Q 3.9442 8.5093 120.7309 59.3201 29.0971 177.9446 138 M 3.9842 8.2220 119.2032 58.6872 32.3013 178.1266 139 L 3.9253 8.0078 119.1637 57.7380 41.7213 179.8054 140 K 3.8266 7.7576 118.4060 59.1959 31.7680 179.1682 141 K 3.8755 7.9100 118.9079 59.4896 32.1291 177.8289 142 Q 4.3974 8.0611 115.3036 55.2958 28.7711 176.2207 143 G 3.7362 7.6945 107.9059 46.2985 0.0000 174.2352 144 I 3.9881 7.6871 121.2775 60.4124 36.4480 175.7467 145 V 4.5612 7.8016 117.4455 58.7492 35.6187 175.8229 146 K 4.0570 8.4316 120.2217 57.6055 32.5217 177.7836 147 S 4.0410 8.6502 116.8216 59.2739 62.9925 172.3851 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 E 8.44 4.32 0.00 2.09 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 0.00 2.18 2.34 0.00 3 P 0.00 4.02 0.00 2.14 2.05 0.00 3.68 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 2.03 2.14 0.00 4 A 9.25 4.17 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 5 M 8.63 4.19 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 6 E 7.99 4.04 0.00 1.92 1.86 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 2.29 2.33 0.00 7 P 0.00 4.31 0.00 2.07 1.96 0.00 3.74 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 2.02 2.06 0.00 8 E 8.72 4.00 0.00 1.93 1.87 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 2.32 2.33 0.00 9 T 8.25 4.20 4.42 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 1.22 0.00 0.00 10 L 8.43 4.08 0.00 1.76 1.91 0.79 0.54 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 11 E 8.21 3.98 0.00 2.08 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 2.42 2.47 0.00 12 A 8.21 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 13 R 8.26 3.93 0.00 2.25 2.20 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 14 I 8.14 3.39 1.72 0.00 0.00 0.56 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 0.66 0.96 0.00 0.00 15 N 8.27 4.32 0.00 2.77 2.83 0.00 0.00 6.58 7.00 0.00 0.00 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 R 7.52 3.72 0.00 1.78 2.05 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 17 A 7.92 4.10 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 18 T 7.06 4.13 4.01 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 0.97 0.00 0.00 19 N 7.52 4.26 0.00 2.72 2.88 0.00 0.00 7.21 7.59 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 20 P 0.00 4.53 0.00 2.14 2.19 0.00 3.72 0.00 0.00 3.73 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 21 L 8.43 4.24 0.00 1.76 1.77 0.94 1.25 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 22 N 7.99 4.42 0.00 3.08 3.15 0.00 0.00 7.02 7.67 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 23 K 8.76 4.21 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 E 7.89 4.88 0.00 1.99 1.91 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 2.25 2.32 0.00 25 L 8.70 3.69 0.00 1.35 0.69 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.99 4.61 0.00 2.63 2.42 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 27 W 8.11 4.20 0.00 3.48 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 28 A 8.09 4.09 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 29 S 8.13 4.11 0.00 3.96 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 30 I 8.00 3.67 2.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.97 0.00 0.00 31 N 9.04 4.60 0.00 2.83 2.93 0.00 0.00 6.99 7.44 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 32 G 8.18 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 0.00 0.00 0.00 33 F 8.47 4.22 0.00 3.12 3.20 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 34 C 8.20 4.07 0.00 3.14 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 35 E 8.18 3.61 0.00 2.12 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 2.34 0.00 36 Q 7.56 4.29 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 37 L 7.03 3.92 0.00 1.77 1.26 0.71 -0.11 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 38 N 7.73 4.59 0.00 2.79 2.83 0.00 0.00 7.17 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 39 E 7.63 4.06 0.00 2.00 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 2.33 2.34 0.00 40 D 7.16 4.78 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.22 0.00 3.03 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 42 E 8.37 3.99 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 2.60 2.29 0.00 43 G 7.81 4.10 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 0.00 0.00 0.00 44 P 0.00 4.33 0.00 2.05 2.14 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 45 P 0.00 4.16 0.00 2.06 1.99 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.05 0.00 46 L 7.76 3.91 0.00 1.84 1.88 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.36 4.25 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 48 T 8.06 3.81 3.75 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 0.58 0.00 0.00 49 R 8.10 4.02 0.00 2.08 2.07 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 50 L 8.40 4.09 0.00 1.98 1.79 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.57 4.01 0.00 2.00 1.93 1.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.44 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.26 0.00 3.26 3.49 0.00 5.60 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 54 K 8.02 3.91 0.00 1.90 1.75 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.53 7.81 55 I 7.80 3.84 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.91 0.00 0.00 56 Q 7.40 4.28 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 57 S 7.34 4.20 0.00 3.85 3.74 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 58 P 0.00 4.32 0.00 2.23 2.16 0.00 3.80 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 1.99 1.99 0.00 59 Q 8.04 4.29 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 60 E 8.83 3.96 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 61 W 8.28 4.57 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.21 3.79 0.00 2.02 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 0.00 2.28 2.43 0.00 63 A 7.83 4.08 1.40 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 0.00 0.00 0.00 64 I 8.14 3.66 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.24 1.07 0.00 0.00 65 Q 7.64 3.50 0.00 1.70 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 A 7.78 3.82 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 67 L 8.13 4.06 0.00 1.86 1.76 0.93 0.71 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 68 T 7.89 3.92 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 69 V 7.80 3.53 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 0.86 0.00 0.00 0.71 0.00 0.00 70 L 8.09 4.17 0.00 2.04 2.10 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.68 4.30 0.00 2.30 2.28 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 2.48 2.52 0.00 72 T 8.20 4.07 4.52 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 1.42 0.00 0.00 73 C 8.64 4.34 0.00 2.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.20 4.03 0.00 1.86 2.48 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.90 0.00 75 K 7.86 4.22 0.00 1.92 1.92 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.57 7.81 76 S 8.26 4.49 0.00 4.04 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 77 C 7.81 4.57 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.81 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 79 K 8.73 3.83 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.47 7.81 80 R 7.94 3.86 0.00 1.87 1.91 0.00 3.12 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 81 F 8.10 4.00 0.00 3.01 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 82 H 8.39 3.84 0.00 3.23 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.09 4.27 0.00 2.74 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 84 E 7.74 3.94 0.00 1.74 1.67 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 2.34 2.26 0.00 85 V 7.14 3.18 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 0.29 0.00 0.00 -0.43 0.00 0.00 86 G 7.47 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 0.00 0.00 0.00 87 K 6.99 4.38 0.00 1.89 1.68 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.50 7.81 88 F 8.15 4.45 0.00 3.10 3.16 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 89 R 8.18 3.96 0.00 1.85 2.03 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 90 F 8.08 4.46 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.34 3.93 0.00 2.04 1.91 1.18 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 92 N 8.66 4.26 0.00 2.74 2.77 0.00 0.00 7.00 7.62 0.00 0.00 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 E 7.84 3.88 0.00 1.75 1.87 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 2.42 2.46 0.00 94 L 7.42 4.02 0.00 1.76 1.67 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.84 3.70 1.96 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 1.54 0.71 0.89 0.00 0.00 96 K 8.07 3.96 0.00 1.83 1.77 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.49 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.54 1.07 7.81 97 V 7.57 3.58 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 1.03 0.00 0.00 0.97 0.00 0.00 98 V 7.62 4.01 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 0.75 0.00 0.00 1.04 0.00 0.00 99 S 8.00 4.46 0.00 4.01 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 0.00 100 P 0.00 4.27 0.00 2.18 2.06 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 101 K 7.79 3.84 0.00 1.26 1.03 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.29 7.81 102 Y 7.74 4.35 0.00 3.01 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 5.77 4.59 0.00 1.83 1.70 0.93 1.14 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 0.00 104 G 8.47 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 0.00 0.00 0.00 105 S 8.11 4.26 0.00 3.98 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 0.00 106 R 7.78 4.62 0.00 1.93 1.99 0.00 3.06 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 1.66 1.56 0.00 107 T 7.43 4.24 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 0.00 108 S 8.48 4.22 0.00 3.90 3.75 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 0.00 109 E 8.92 3.97 0.00 2.10 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 2.40 2.44 0.00 110 K 7.91 3.93 0.00 1.80 1.96 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 111 V 7.69 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 112 K 8.17 4.00 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 113 N 8.50 4.37 0.00 2.92 2.87 0.00 0.00 6.68 8.52 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 0.00 114 K 8.07 3.93 0.00 1.98 2.00 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 115 I 7.82 3.66 2.02 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 1.53 0.54 0.93 0.00 0.00 116 L 8.00 4.13 0.00 1.90 1.82 0.93 0.98 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 0.00 117 E 8.39 3.96 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 118 L 7.77 3.37 0.00 1.34 0.32 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.49 3.81 0.00 1.80 1.89 1.07 0.91 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 0.00 120 Y 7.83 3.14 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.97 3.97 0.00 4.00 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 0.00 122 W 7.96 4.37 0.00 3.54 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 0.00 123 T 7.52 3.78 4.09 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 1.06 0.00 0.00 124 V 6.94 3.88 1.86 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 0.78 0.00 0.00 0.51 0.00 0.00 125 G 8.22 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.48 5.14 0.00 1.74 1.53 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.42 0.00 2.17 2.16 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 128 E 8.12 4.06 0.00 2.07 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 2.38 2.38 0.00 129 E 8.00 4.49 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 130 V 7.98 3.69 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 0.91 0.00 0.00 131 K 7.84 4.00 0.00 1.58 0.78 0.00 1.39 0.00 0.00 0.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.29 7.81 132 I 7.70 3.79 2.07 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 1.17 0.00 0.00 133 A 7.90 4.12 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 0.00 134 E 8.58 4.01 0.00 2.44 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 135 A 8.51 4.14 1.61 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 0.00 136 Y 8.37 4.03 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.51 3.94 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 138 M 8.22 3.98 0.00 2.23 2.04 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 2.56 2.71 0.00 139 L 8.01 3.93 0.00 1.69 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.76 3.83 0.00 1.77 1.74 0.00 1.44 0.00 0.00 0.89 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.89 1.32 7.81 141 K 7.91 3.88 0.00 1.90 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.63 7.81 142 Q 8.06 4.40 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.17 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 143 G 7.69 3.74 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 0.00 0.00 0.00 144 I 7.69 3.99 1.83 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 0.84 0.95 0.00 0.00 145 V 7.80 4.56 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 0.73 0.00 0.00 0.91 0.00 0.00 146 K 8.43 4.06 0.00 1.73 1.73 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 147 S 8.65 4.04 0.00 3.97 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