NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9405 8.3549 109.7373 44.9413 0.0000 177.2596 2 S 4.0935 9.1465 114.4367 58.2579 63.6140 171.6508 3 S 4.5082 8.1565 115.2839 57.2650 65.6846 174.6596 4 G 3.8983 8.4446 115.3186 45.6695 0.0000 171.3873 5 S 4.4958 7.8183 111.8069 57.5629 64.8743 174.7894 6 S 4.2496 8.8625 115.1902 58.8788 62.4260 174.0566 7 G 4.3079 6.6434 110.3647 44.6478 0.0000 172.0161 8 E 4.3729 7.9684 116.6629 56.8448 29.9001 178.8781 9 S 4.3483 7.9338 119.3299 62.2939 62.6979 176.1372 10 Y 4.2678 7.7677 121.5372 59.2065 37.6637 177.6401 11 W 4.3497 6.9947 129.0588 60.3765 30.4858 177.9768 12 R 3.3649 7.7059 117.2365 58.9951 29.4213 178.9338 13 S 3.1531 6.8347 113.6189 61.3204 62.7960 176.3484 14 R 3.9227 8.1557 122.3869 59.3946 29.6279 178.5639 15 M 4.1607 7.4965 115.2595 58.6075 32.1704 178.5237 16 I 3.9080 7.4041 119.1539 64.4832 37.4199 177.7842 17 D 4.4791 8.7899 120.2760 56.8462 40.7791 178.4658 18 A 4.1271 7.7833 120.7626 54.3904 18.4658 179.1081 19 V 4.0115 7.3513 108.2541 61.9263 31.8994 176.5652 20 T 4.6761 7.7317 109.3186 61.1076 69.0444 174.2449 21 S 4.3474 8.0577 117.7176 59.5803 63.6434 173.9831 22 D 4.9744 8.2595 123.3517 51.9297 37.6556 174.8596 23 E 4.6703 7.5052 123.4864 55.3933 33.1663 174.5607 24 D 4.4312 8.6662 124.2930 56.1790 41.7718 176.5722 25 K 3.9686 7.9625 120.6165 55.9739 32.5599 176.5112 26 V 3.5977 8.3606 125.7477 61.3825 31.7444 175.8103 27 A 3.9288 8.4910 126.7372 51.5973 18.9487 175.3945 28 P 4.1830 0.0000 0.0000 62.1394 32.4269 177.4057 29 V 3.2742 8.4566 121.3243 66.4088 31.1993 177.6260 30 Y 4.2666 7.9888 116.7304 60.5534 37.2504 178.7602 31 K 4.1633 7.2601 119.4657 58.9030 32.1680 179.4355 32 L 3.7928 7.7129 119.5238 57.6817 41.4453 179.1336 33 E 4.1151 8.1886 118.0548 59.6648 29.3459 179.1604 34 E 4.0183 7.9005 117.0266 59.3653 29.4698 179.5223 35 I 3.5509 7.3118 119.3596 64.6998 36.8301 178.2610 36 C 4.0126 7.8886 117.1148 62.5882 27.7324 175.9403 37 D 4.1128 7.9058 119.6194 57.3170 40.8716 178.0818 38 L 3.8752 7.9651 119.6365 57.8148 41.3551 179.4216 39 L 3.7955 7.7178 118.4115 57.9749 41.6853 179.6846 40 R 4.0423 7.1945 114.2131 59.0258 29.6201 178.0539 41 S 4.2868 8.2383 112.1535 58.7002 62.6448 173.3991 42 S 4.7876 6.8478 116.2303 56.9414 65.8756 173.2216 43 H 4.5153 8.3904 121.3008 55.6084 30.4902 176.4641 44 V 3.6794 7.9769 123.5481 64.8080 30.7781 178.5954 45 S 4.1333 7.9461 114.6658 61.5575 62.8028 176.4365 46 I 3.7496 7.8539 123.5588 64.0192 36.9710 178.5349 47 V 3.8285 7.8177 118.6593 65.8760 31.2197 178.1235 48 K 4.0390 8.1710 118.2274 59.5889 32.0385 179.0844 49 E 3.9244 8.2740 118.7486 59.4259 29.4150 179.2383 50 F 4.2975 8.7368 118.1752 61.0715 39.1034 177.7667 51 S 4.4543 8.2762 114.0714 61.8966 62.6566 176.7975 52 E 3.8686 7.9115 120.8848 59.5715 28.9995 179.5026 53 F 4.2348 7.6313 116.1435 60.4276 39.1880 177.5202 54 I 3.9907 8.1249 119.5493 64.5362 37.0202 178.4341 55 L 4.0307 7.9351 119.6116 57.7626 41.0948 179.6799 56 K 4.0762 8.1878 118.0269 59.0587 32.0271 179.2794 57 R 3.9299 8.0147 118.5739 58.6641 29.8260 178.6884 58 L 3.9728 7.7027 118.3148 57.6126 41.6058 178.6246 59 D 4.5035 7.4752 116.9988 55.4847 41.2430 175.9588 60 N 4.3311 7.3315 118.1340 53.4175 39.1341 174.5827 61 K 3.9707 8.8805 125.7243 59.4420 32.4286 177.5887 62 S 4.3185 8.3062 113.4294 57.3419 63.0631 172.1824 63 P 4.5882 0.0000 0.0000 65.7243 31.7590 178.2276 64 I 3.6603 8.0957 120.3596 64.1367 36.8269 177.9274 65 V 3.5901 7.9334 118.0498 66.2616 31.1001 177.8866 66 K 3.8373 7.7885 117.5823 59.5768 31.9575 178.7575 67 Q 3.9667 8.1367 119.0686 59.4328 28.9104 178.6296 68 K 3.8859 8.2077 118.9457 59.4911 32.1104 179.1200 69 A 3.9927 7.8150 120.5598 55.1235 18.2273 179.3047 70 L 3.9237 7.9906 117.6910 58.3331 41.7086 180.0116 71 R 3.9539 8.1409 118.1992 59.1841 30.0223 178.1991 72 L 3.9785 7.8366 119.7085 58.2040 42.1113 178.6733 73 I 3.9411 8.2804 120.4736 64.7302 36.9414 178.4335 74 K 4.1553 7.7752 117.5487 59.7512 32.6875 178.3079 75 Y 4.0725 8.2820 120.4880 60.3295 39.0478 177.3532 76 A 4.1443 8.8512 122.3176 54.3061 18.6337 178.3284 77 V 4.0920 7.1780 115.6052 62.9994 31.9547 176.7722 78 G 3.9970 10.2380 109.4107 45.5684 0.0000 173.2946 79 K 4.6580 7.6112 116.2861 58.2878 38.6886 178.4390 80 S 3.7717 8.1040 115.0552 59.9312 62.5876 173.7014 81 G 4.3841 6.8838 105.1084 43.1284 0.0000 174.6963 82 S 4.3225 8.4258 116.2079 60.7266 62.7918 176.8878 83 E 3.9069 8.1435 121.3909 59.5244 29.3520 178.8332 84 F 4.2971 8.2726 120.0040 61.2904 39.3327 176.7191 85 R 3.4965 7.3722 119.1115 59.0212 29.7850 178.3784 86 R 3.7749 7.7885 115.5383 59.6523 29.0941 178.5740 87 E 3.8927 7.8028 118.1934 58.9906 29.8326 178.7268 88 M 3.9334 7.7089 118.2317 58.4903 32.1424 178.1867 89 Q 3.6825 7.7225 118.2143 59.0552 28.6282 179.0977 90 R 4.0702 7.5246 117.8927 58.3415 30.3729 177.3030 91 N 4.9928 7.7340 114.2150 52.8254 39.4291 176.1662 92 S 4.3760 8.0617 115.0470 59.9172 62.8873 176.0946 93 V 3.5571 7.8662 123.4149 65.1368 30.6313 177.7448 94 A 3.8841 7.3021 119.3872 54.9380 18.4784 179.5901 95 V 3.5601 7.5663 115.9944 66.2523 31.6792 178.5412 96 R 2.5100 7.5959 117.2018 58.6027 29.6613 178.2753 97 N 4.4788 7.9840 114.8583 54.9397 38.7125 176.0833 98 L 4.5786 7.3922 119.7059 54.6779 42.1818 178.0847 99 F 4.4667 7.8763 118.3241 60.1416 39.0072 175.7313 100 H 4.9668 8.2543 113.9298 55.2717 28.2693 174.1911 101 Y 4.3195 8.2287 123.8242 58.0663 36.6289 175.8548 102 K 3.9252 8.1747 125.3745 56.5661 34.7016 179.6290 103 G 3.3965 6.9233 106.8496 46.5683 0.0000 175.1598 104 H 4.7367 8.4798 121.1379 52.8696 32.6591 170.7906 105 P 4.2657 0.0000 0.0000 62.3260 30.6877 175.8262 106 D 4.4807 8.6127 124.8237 53.6802 41.1931 176.1965 107 P 4.1893 0.0000 0.0000 65.4838 30.8185 176.8260 108 L 4.1065 7.1671 119.1821 57.7403 40.8755 177.8982 109 K 3.9898 7.9639 123.8988 56.5948 33.4128 175.8106 110 G 3.5328 8.3564 109.5467 47.1499 0.0000 172.9481 111 D 4.3088 8.0680 120.8024 54.2563 39.3055 176.8040 112 A 4.3316 7.5790 120.1059 55.7848 18.6846 179.4336 113 L 3.9476 7.9933 117.1444 58.2674 41.4329 179.4906 114 N 4.7483 8.1472 116.0813 55.3833 37.4050 176.9774 115 K 3.9429 8.3302 122.2908 59.5210 32.3453 178.2939 116 A 4.3140 8.0150 121.7807 54.9296 18.2953 179.4964 117 V 3.5594 7.3773 113.1259 66.2390 31.4545 178.2030 118 R 4.1358 7.5854 115.4721 59.6184 30.1621 177.8100 119 E 4.2227 8.7371 118.7004 60.1479 29.4902 179.4955 120 T 4.0458 8.2421 115.1225 66.7280 68.5600 176.2829 121 A 4.0825 8.1039 122.6090 55.6932 18.3145 179.4776 122 H 4.3413 8.1835 114.2117 59.2739 28.3559 177.9193 123 E 4.0835 8.2999 119.8579 59.6618 29.3042 179.4648 124 T 3.9643 8.4653 116.2175 66.7504 68.4726 176.7862 125 I 3.9310 8.0205 121.7408 64.5849 36.9069 178.4418 126 S 4.1586 8.2422 113.0246 60.8179 61.8566 175.8351 127 A 4.2601 7.3979 121.9460 54.4780 18.9445 179.1679 128 I 3.5614 7.7725 117.3587 63.7436 37.7923 178.0815 129 F 4.6789 8.1509 117.6184 57.1663 39.4599 176.9026 130 S 4.6472 7.6384 112.4390 57.2989 61.3766 173.6855 131 E 4.6613 7.6187 119.2147 54.4639 32.7086 176.3086 132 E 4.0976 9.0701 125.5844 58.5057 30.0085 175.8633 133 N 5.1356 7.6681 112.9292 51.5379 40.8121 173.1031 134 G 4.0755 8.0222 105.0826 45.6558 0.0000 171.6313 135 S 4.6155 8.1294 113.4512 57.3888 66.0915 172.5758 136 G 4.0227 7.8744 106.9276 44.1057 0.0000 171.5519 137 P 4.4760 0.0000 0.0000 61.8784 31.9821 176.4505 138 S 4.2964 8.3577 114.2374 58.2215 63.4710 175.4429 139 S 4.1456 8.6543 117.2483 60.3106 63.3113 174.3829 140 G 3.7283 7.4999 115.3358 46.2393 0.0000 172.9594 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 G 8.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 9.15 4.09 0.00 3.96 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 3 S 8.16 4.51 0.00 3.79 3.69 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 4 G 8.44 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 0.00 0.00 0.00 5 S 7.82 4.50 0.00 3.88 3.76 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 6 S 8.86 4.25 0.00 3.90 3.92 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 7 G 6.64 4.31 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 0.00 8 E 7.97 4.37 0.00 2.13 2.12 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 2.33 2.34 0.00 9 S 7.93 4.35 0.00 3.97 4.17 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 10 Y 7.77 4.27 0.00 3.10 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 11 W 6.99 4.35 0.00 3.07 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 12 R 7.71 3.36 0.00 1.40 1.32 0.00 3.05 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 13 S 6.83 3.15 0.00 3.82 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 14 R 8.16 3.92 0.00 2.18 2.11 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 15 M 7.50 4.16 0.00 2.26 2.49 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.22 0.00 16 I 7.40 3.91 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 1.04 0.00 0.00 17 D 8.79 4.48 0.00 2.78 2.84 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 18 A 7.78 4.13 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 19 V 7.35 4.01 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 0.77 0.00 0.00 1.03 0.00 0.00 20 T 7.73 4.68 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 1.26 0.00 0.00 21 S 8.06 4.35 0.00 3.89 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 22 D 8.26 4.97 0.00 2.79 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 23 E 7.51 4.67 0.00 1.87 1.79 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 2.18 2.44 0.00 24 D 8.67 4.43 0.00 2.67 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 25 K 7.96 3.97 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.42 7.81 26 V 8.36 3.60 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 0.69 0.00 0.00 0.90 0.00 0.00 27 A 8.49 3.93 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 28 P 0.00 4.18 0.00 0.90 1.84 0.00 3.48 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 29 V 8.46 3.27 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 1.10 0.00 0.00 0.89 0.00 0.00 30 Y 7.99 4.27 0.00 3.22 3.21 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 31 K 7.26 4.16 0.00 1.67 1.79 0.00 1.48 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.13 7.81 32 L 7.71 3.79 0.00 1.23 1.17 -0.04 0.64 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 33 E 8.19 4.12 0.00 2.24 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 2.66 2.46 0.00 34 E 7.90 4.02 0.00 2.28 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 2.41 2.61 0.00 35 I 7.31 3.55 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 1.59 0.76 0.40 0.00 0.00 36 C 7.89 4.01 0.00 3.18 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 37 D 7.91 4.11 0.00 2.81 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 38 L 7.97 3.88 0.00 1.83 1.70 0.64 0.93 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 39 L 7.72 3.80 0.00 1.31 1.50 0.24 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.19 4.04 0.00 1.76 2.18 0.00 3.03 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 41 S 8.24 4.29 0.00 3.95 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 42 S 6.85 4.79 0.00 3.87 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 43 H 8.39 4.52 0.00 3.11 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.98 3.68 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 0.50 0.00 0.00 0.90 0.00 0.00 45 S 7.95 4.13 0.00 4.11 4.23 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 46 I 7.85 3.75 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 1.03 0.00 0.00 47 V 7.82 3.83 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 1.22 0.00 0.00 1.01 0.00 0.00 48 K 8.17 4.04 0.00 2.07 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 49 E 8.27 3.92 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 50 F 8.74 4.30 0.00 3.28 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 51 S 8.28 4.45 0.00 4.18 4.06 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 0.00 0.00 0.00 52 E 7.91 3.87 0.00 1.63 1.69 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 2.47 2.35 0.00 53 F 7.63 4.23 0.00 3.29 3.14 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 54 I 8.12 3.99 2.24 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 1.06 0.00 0.00 55 L 7.94 4.03 0.00 1.87 1.71 0.96 0.71 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 56 K 8.19 4.08 0.00 2.04 1.91 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.58 7.81 57 R 8.01 3.93 0.00 1.94 1.99 0.00 3.36 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 58 L 7.70 3.97 0.00 1.79 1.67 0.86 1.02 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 59 D 7.48 4.50 0.00 2.49 2.87 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 60 N 7.33 4.33 0.00 2.77 2.80 0.00 0.00 7.20 5.99 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 61 K 8.88 3.97 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.54 7.81 62 S 8.31 4.32 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 63 P 0.00 4.59 0.00 2.56 2.53 0.00 4.00 0.00 0.00 3.83 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 64 I 8.10 3.66 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 1.55 0.75 0.98 0.00 0.00 65 V 7.93 3.59 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 1.13 0.00 0.00 0.99 0.00 0.00 66 K 7.79 3.84 0.00 1.71 1.67 0.00 0.79 0.00 0.00 1.12 0.00 0.00 2.82 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.31 1.62 7.81 67 Q 8.14 3.97 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 68 K 8.21 3.89 0.00 1.94 2.03 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 69 A 7.81 3.99 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 70 L 7.99 3.92 0.00 1.90 1.80 0.93 0.68 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 71 R 8.14 3.95 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 72 L 7.84 3.98 0.00 1.91 1.86 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.28 3.94 2.13 0.00 0.00 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 1.74 0.76 0.95 0.00 0.00 74 K 7.78 4.16 0.00 1.92 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.81 1.57 7.81 75 Y 8.28 4.07 0.00 3.09 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 76 A 8.85 4.14 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 77 V 7.18 4.09 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 0.80 0.00 0.00 0.77 0.00 0.00 78 G 10.24 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 0.00 0.00 0.00 79 K 7.61 4.66 0.00 1.80 1.87 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.47 7.81 80 S 8.10 3.77 0.00 3.93 3.81 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 81 G 6.88 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 0.00 0.00 0.00 0.00 82 S 8.43 4.32 0.00 3.86 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 83 E 8.14 3.91 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 2.39 2.42 0.00 84 F 8.27 4.30 0.00 3.06 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 85 R 7.37 3.50 0.00 1.96 1.96 0.00 3.06 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 86 R 7.79 3.77 0.00 2.01 2.12 0.00 2.95 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 87 E 7.80 3.89 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 88 M 7.71 3.93 0.00 1.58 0.99 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 89 Q 7.72 3.68 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 1.70 2.40 0.00 90 R 7.52 4.07 0.00 1.87 1.99 0.00 3.22 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 91 N 7.73 4.99 0.00 2.72 2.74 0.00 0.00 6.89 6.98 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 92 S 8.06 4.38 0.00 4.26 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.87 3.56 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 0.77 0.00 0.00 0.90 0.00 0.00 94 A 7.30 3.88 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 95 V 7.57 3.56 2.15 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 1.03 0.00 0.00 0.92 0.00 0.00 96 R 7.60 2.51 0.00 1.78 1.62 0.00 3.26 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 97 N 7.98 4.48 0.00 2.84 2.84 0.00 0.00 6.92 8.49 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 98 L 7.39 4.58 0.00 1.78 1.71 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.88 4.47 0.00 3.10 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 0.00 100 H 8.25 4.97 0.00 3.29 3.42 0.00 5.55 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 0.00 101 Y 8.23 4.32 0.00 3.03 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 0.00 102 K 8.17 3.93 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.30 7.81 103 G 6.92 3.40 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 0.00 104 H 8.48 4.74 0.00 3.01 3.10 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.27 0.00 2.13 2.00 0.00 3.17 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 1.70 1.83 0.00 106 D 8.61 4.48 0.00 2.82 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 0.00 107 P 0.00 4.19 0.00 2.19 2.21 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 108 L 7.17 4.11 0.00 1.78 1.68 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.96 3.99 0.00 1.78 1.93 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.45 7.81 110 G 8.36 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.07 4.31 0.00 2.80 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 0.00 112 A 7.58 4.33 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 0.00 113 L 7.99 3.95 0.00 1.74 1.81 0.95 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 0.00 114 N 8.15 4.75 0.00 2.64 3.00 0.00 0.00 5.83 7.20 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 0.00 115 K 8.33 3.94 0.00 2.08 2.02 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.54 7.81 116 A 8.01 4.31 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 0.00 117 V 7.38 3.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.17 0.00 0.00 118 R 7.59 4.14 0.00 2.17 2.41 0.00 3.76 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 119 E 8.74 4.22 0.00 2.25 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 2.39 2.53 0.00 120 T 8.24 4.05 4.30 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 1.29 0.00 0.00 121 A 8.10 4.08 1.49 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 0.00 122 H 8.18 4.34 0.00 3.31 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.30 4.08 0.00 2.21 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 2.45 2.62 0.00 124 T 8.47 3.96 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 125 I 8.02 3.93 2.15 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 1.68 1.26 1.10 0.00 0.00 126 S 8.24 4.16 0.00 4.09 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 0.00 127 A 7.40 4.26 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 0.00 128 I 7.77 3.56 1.90 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 1.28 0.57 0.01 0.00 0.00 129 F 8.15 4.68 0.00 3.15 3.06 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 0.00 0.00 0.00 130 S 7.64 4.65 0.00 3.98 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 0.00 131 E 7.62 4.66 0.00 2.02 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 2.20 2.25 0.00 132 E 9.07 4.10 0.00 1.93 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 0.00 2.30 2.30 0.00 133 N 7.67 5.14 0.00 2.80 2.73 0.00 0.00 5.78 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 0.00 134 G 8.02 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 0.00 135 S 8.13 4.62 0.00 3.93 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 0.00 136 G 7.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.48 0.00 2.19 2.07 0.00 3.78 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 1.99 1.96 0.00 138 S 8.36 4.30 0.00 4.02 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 0.00 139 S 8.65 4.15 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 0.00 140 G 7.50 3.73 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 0.00 0.00 0.00