NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3466 8.1733 120.1346 56.6317 34.4751 177.9886 7 N 4.4055 7.9663 115.9128 55.6577 38.4997 174.3059 8 E 4.0013 8.8737 121.0634 59.4280 30.1609 178.6981 9 E 4.1456 8.0878 118.3987 59.3886 29.6872 179.6476 10 V 3.7513 8.3996 119.4472 64.2627 31.2576 178.3403 11 L 3.9813 7.5760 120.7708 58.0800 42.0084 178.4232 12 F 4.2049 7.8285 119.2279 61.5887 39.3548 177.2659 13 S 3.9583 8.2232 114.3443 61.5089 62.4439 176.5845 14 A 3.9489 8.1231 123.4771 55.0874 18.1392 179.8906 15 V 3.4764 8.0159 117.0278 66.1660 31.6342 177.9566 16 N 4.2053 8.1259 118.7326 56.8907 38.2496 177.7787 17 E 3.9586 7.9770 119.4776 61.1425 29.1754 181.1539 18 I 3.8113 7.4200 120.7947 64.3011 37.0002 178.7079 19 F 4.1440 8.1238 117.0439 60.3476 38.8906 176.9234 20 E 4.3338 8.4897 117.2553 59.0359 29.8789 177.8932 21 E 4.1451 8.1191 119.3866 59.5073 30.1938 179.1926 22 K 4.1037 8.3247 120.0168 57.2304 32.2939 180.2477 23 I 3.7844 7.1655 122.0159 60.9778 37.2977 175.3108 24 P 4.4007 0.0000 0.0000 65.5187 31.9083 178.4679 *25 F 4.3033 8.2532 122.4072 60.7914 37.6302 182.0900 26 N 4.7209 7.5839 120.7356 58.8591 37.3213 182.9867 27 K 4.4404 8.0898 126.3327 60.1735 31.1042 182.2676 28 I 4.3136 7.5658 120.3923 63.3058 35.4148 177.5791 29 I 5.1691 7.9106 121.9690 59.0232 40.2996 175.3965 30 G 3.8972 9.1968 115.0546 46.2201 0.0000 172.3162 31 L 4.5509 8.0789 122.6894 53.4366 45.3049 174.9972 32 K 4.6293 8.5025 125.1429 54.4571 36.1405 175.5811 33 V 3.9306 8.8155 125.8550 62.6780 31.1553 175.7690 34 R 4.3772 8.7238 128.2362 58.4936 30.9773 177.1678 35 F 5.0730 7.9390 119.5056 56.7038 43.0415 173.1332 36 I 4.8534 7.0347 117.4013 59.5018 39.3412 174.1095 37 S 4.4010 8.2503 116.3567 56.9801 65.7811 174.6147 38 P 4.3797 0.0000 0.0000 64.9207 31.4188 177.4608 39 E 4.4950 7.7699 114.7509 56.7629 31.2554 175.3645 40 Q 5.0677 8.1153 118.5635 54.5648 33.0700 174.3842 41 V 5.0925 8.5770 116.4789 59.9163 37.0438 174.1474 42 K 4.9806 9.2005 123.6777 55.0394 35.7363 174.8124 43 L 5.2033 9.1058 127.5274 52.8072 45.1375 175.4915 44 S 4.9592 8.4272 117.5955 56.6282 65.7754 173.0883 45 F 5.0608 8.8726 120.3568 55.8149 42.7935 173.2005 46 E 4.6742 8.4078 124.8531 55.9959 33.1077 177.4245 *48 R 4.2421 8.7853 112.8149 55.2889 31.8156 172.1048 49 D 4.9381 7.4889 120.5066 52.7011 42.4226 176.7802 50 E 4.1709 8.8880 122.9415 57.0781 30.1750 173.6551 51 L 3.6332 8.3944 118.1732 56.5863 38.8920 174.6350 52 I 4.0438 7.7892 117.1296 62.7796 35.0410 178.1730 53 G 4.0138 8.9247 114.5095 44.6385 0.0000 172.9758 54 N 4.4527 7.8557 119.1631 52.9553 39.3919 175.0164 55 A 4.1436 8.7306 128.6472 54.2466 19.1278 177.5514 56 I 4.5433 7.7989 109.5066 60.2856 37.9067 176.7610 57 R 3.9961 7.9605 123.4445 60.7598 30.8234 179.6087 58 R 4.2223 8.0077 113.9746 56.9391 30.0079 178.4601 *60 L 4.2230 8.0441 120.1459 55.0909 43.6465 178.9109 61 Y 4.1765 8.0900 116.3142 60.8883 37.6600 178.8539 62 G 3.7285 8.1219 106.4833 47.8131 0.0000 176.0247 63 G 3.6343 7.9970 107.6311 46.4077 0.0000 175.8460 64 V 3.6096 7.7045 120.4581 65.8228 31.5306 178.1694 65 I 3.5722 8.1054 120.0870 64.4059 36.9149 178.5869 66 S 4.1424 8.1338 115.0113 61.6031 62.5445 176.7607 67 S 4.2315 8.0333 117.6499 61.1684 62.6580 176.1196 68 A 3.9271 7.8772 122.4937 55.1433 18.3147 179.4125 69 I 3.9317 7.9076 118.3652 64.4769 37.0976 178.7519 70 D 4.8053 8.1111 115.5772 55.4220 40.7613 177.7824 *72 T 4.2923 7.8896 116.0439 63.1704 70.7238 176.1463 73 A 4.1681 8.4561 123.1920 55.1580 18.3309 179.8837 74 G 2.8553 8.3985 104.3479 47.5529 0.0000 175.7275 75 L 3.9777 7.8976 121.1025 57.8194 42.2447 178.4084 76 A 4.0909 7.9741 119.6306 54.9373 18.5819 179.1395 77 A 4.0281 8.4849 119.6369 55.1533 18.3944 180.1038 78 F 4.3795 8.0787 116.3041 59.3698 39.1032 176.9250 *80 G 3.6762 8.0061 107.3097 45.1740 0.0000 175.9174 81 F 4.2042 8.0340 119.5515 60.1309 39.0342 177.8899 82 Q 3.9329 7.8081 117.5964 58.5781 28.6247 177.2323 83 E 3.9463 7.4713 119.2419 59.1043 30.2534 178.0771 84 K 4.2797 7.3172 117.8017 56.1958 30.2819 176.7569 *86 S 4.4831 7.9074 116.0513 58.3866 65.0554 176.1326 87 G 3.7825 7.9491 106.6956 45.6656 0.0000 173.7354 88 K 4.4656 7.6634 119.3001 55.1701 34.5413 176.6171 89 P 4.8127 0.0000 0.0000 62.9595 30.1493 177.8693 *91 E 4.3044 9.1317 116.4700 56.3450 31.1875 177.4830 92 E 4.0628 8.2048 116.8658 59.0593 29.6206 179.0052 93 K 4.1894 7.6381 117.8998 59.6337 32.2704 179.1525 94 L 4.2907 8.0010 117.1427 57.3177 41.6850 179.7134 95 A 4.2142 7.9360 121.5579 51.9725 17.8803 179.1151 *97 I 4.2724 7.9389 123.5925 62.4302 39.9228 177.6573 98 G 3.7165 7.6897 107.1541 48.1357 0.0000 174.8103 99 R 4.1275 7.9224 117.8867 57.7236 30.6222 176.0438 100 L 4.7989 7.4213 118.1516 54.8618 42.1253 176.7146 101 S 4.7920 9.2243 118.0305 56.8561 66.2229 173.7229 102 T 3.7057 8.1621 122.8360 62.8334 69.9350 173.5497 *104 S 4.1945 8.3377 115.9865 58.2589 63.8824 171.9626 105 L 5.0316 8.6288 127.9193 53.7552 44.5017 175.0358 106 H 4.9308 9.4996 124.9635 54.0930 31.2735 173.3392 107 V 4.7766 8.4932 123.1582 60.9089 34.2921 174.2680 108 E 4.7896 8.9835 127.0019 54.8061 32.2652 174.3127 109 Y 4.8647 8.8514 122.0960 56.9085 39.2732 175.1393 110 L 4.5513 9.1564 125.8119 56.1183 42.2402 177.1448 111 R 4.5626 7.6019 113.4437 53.4828 32.4110 172.9697 112 P 4.2336 0.0000 0.0000 62.9529 31.5767 177.7250 113 G 3.9438 8.2389 119.3407 45.0441 0.0000 176.0298 114 L 3.2730 7.1274 119.4480 53.1849 39.0764 177.9211 115 G 4.2187 7.4215 115.2168 43.6667 0.0000 172.4937 116 R 4.1990 8.6347 116.9177 58.8092 29.6657 175.3277 117 E 5.2385 8.1318 117.2532 54.4338 32.1099 175.1171 118 F 5.2531 8.3856 116.6099 55.6368 41.6366 173.3686 119 V 5.0357 8.7030 119.2356 60.1738 34.8827 173.6991 120 C 5.2882 9.5267 122.9011 58.1632 34.6432 172.4954 121 T 4.8616 9.1516 123.3288 61.6921 71.0712 173.5900 122 G 4.2613 8.8907 113.1052 44.5540 0.0000 171.1469 123 Y 5.1667 9.2703 123.7462 56.1691 40.4700 174.8140 124 N 4.7543 9.3205 124.7590 53.1311 38.2022 174.8998 125 V 3.8526 8.7330 129.5332 66.1052 32.3407 177.3002 126 R 4.4933 7.6146 117.2080 56.3540 33.7545 175.4382 127 T 4.6065 8.6317 121.3541 60.8706 70.0240 174.3437 128 G 4.0575 8.6179 120.0843 44.7987 0.0000 171.9227 129 N 4.5516 9.0342 117.2279 56.1578 39.2829 177.0149 130 K 4.5561 8.1994 115.4909 55.9853 34.8927 175.5452 131 V 5.0094 7.8689 118.2096 60.8988 34.3825 174.2162 132 A 4.9717 9.3473 129.2554 50.1796 21.7098 174.9041 133 V 4.6260 8.6836 123.5761 61.6707 33.4275 174.6616 134 I 5.0881 9.1436 131.5348 60.1980 40.5442 175.2514 135 R 5.2026 9.1888 127.0656 55.3892 31.8522 173.7045 136 T 5.3224 9.3015 114.1508 59.1057 72.4443 172.8796 137 E 4.7072 9.3052 122.2063 54.7061 33.3194 174.6916 138 L 5.4911 9.2557 126.4814 52.4252 46.1266 175.1730 *140 N 4.9947 8.2679 118.9808 52.4637 38.5547 174.2789 141 D 4.4494 8.9872 116.9152 58.1654 40.6923 178.1866 142 Q 4.3230 8.1369 114.6878 55.7833 28.6249 175.6610 143 D 4.4356 7.9509 114.4879 54.7973 40.4789 173.1704 144 E 4.2158 8.1952 117.4208 55.4792 30.0976 176.2143 145 L 4.1205 8.5620 126.2520 55.2193 42.5581 175.9812 146 I 4.4564 8.5520 119.4857 61.7188 40.1191 175.2341 147 A 4.9665 7.5875 122.0625 50.8330 22.4459 175.5031 148 V 4.8883 8.5578 112.7634 59.7117 35.9451 175.1776 149 G 4.5223 8.8920 108.7205 44.4783 0.0000 171.6839 150 S 5.2781 9.3146 118.9109 56.4734 65.7982 173.3627 151 V 4.9290 8.9675 124.8623 61.1324 34.6846 174.1243 152 S 5.3423 9.1497 124.1278 57.0872 64.7818 173.1309 153 Y 5.0387 9.1930 122.6209 56.1223 41.1501 174.8651 154 I 5.4913 8.7235 115.2800 58.0327 41.7128 174.6283 155 L 4.6642 8.3318 123.9761 53.5175 41.9587 177.1654 156 V 3.8795 8.7507 123.8993 61.8337 31.1566 176.2423 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 6 K 8.17 4.35 0.00 1.84 1.93 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 7 N 7.97 4.41 0.00 2.89 2.87 0.00 0.00 7.01 6.78 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 8 E 8.87 4.00 0.00 1.99 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 2.37 2.38 0.00 9 E 8.09 4.15 0.00 2.00 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 2.39 2.31 0.00 10 V 8.40 3.75 2.17 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 0.90 0.00 0.00 0.95 0.00 0.00 11 L 7.58 3.98 0.00 2.16 1.95 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.83 4.20 0.00 3.11 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 13 S 8.22 3.96 0.00 3.94 3.88 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 14 A 8.12 3.95 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 15 V 8.02 3.48 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 0.71 0.00 0.00 0.93 0.00 0.00 16 N 8.13 4.21 0.00 2.52 2.59 0.00 0.00 7.18 7.18 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 17 E 7.98 3.96 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 18 I 7.42 3.81 2.02 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 1.44 0.72 0.63 0.00 0.00 19 F 8.12 4.14 0.00 2.95 3.05 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 0.00 0.00 0.00 20 E 8.49 4.33 0.00 1.93 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 2.41 2.32 0.00 21 E 8.12 4.15 0.00 2.32 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 2.30 1.87 0.00 22 K 8.32 4.10 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.28 7.81 23 I 7.17 3.78 1.85 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 1.24 0.76 0.93 0.00 0.00 24 P 0.00 4.40 0.00 2.17 2.16 0.00 3.74 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 1.96 1.93 0.00 *25 F 8.25 4.30 0.00 2.31 2.33 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 26 N 7.58 4.72 0.00 2.93 2.82 0.00 0.00 6.87 7.32 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 27 K 8.09 4.44 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.07 7.81 28 I 7.57 4.31 1.87 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 1.64 0.54 0.91 0.00 0.00 29 I 7.91 5.17 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 1.17 0.00 0.00 30 G 9.20 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 31 L 8.08 4.55 0.00 1.66 1.49 1.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.50 4.63 0.00 1.66 1.53 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.22 7.81 33 V 8.82 3.93 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 0.61 0.00 0.00 0.64 0.00 0.00 34 R 8.72 4.38 0.00 1.91 2.01 0.00 3.37 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 35 F 7.94 5.07 0.00 3.07 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 36 I 7.03 4.85 1.79 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.85 0.00 0.00 37 S 8.25 4.40 0.00 3.97 3.68 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 38 P 0.00 4.38 0.00 2.03 2.10 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 39 E 7.77 4.49 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 40 Q 8.12 5.07 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 41 V 8.58 5.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.95 0.00 0.00 42 K 9.20 4.98 0.00 1.79 1.68 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 L 9.11 5.20 0.00 1.54 0.94 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.43 4.96 0.00 3.76 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 45 F 8.87 5.06 0.00 1.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.41 4.67 0.00 1.91 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 2.24 2.13 0.00 *48 R 8.79 4.24 0.00 1.90 1.87 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 49 D 7.49 4.94 0.00 2.78 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 50 E 8.89 4.17 0.00 2.03 1.85 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 2.23 1.90 0.00 51 L 8.39 3.63 0.00 1.85 1.75 0.55 0.74 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 52 I 7.79 4.04 1.87 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 1.35 0.62 0.91 0.00 0.00 53 G 8.92 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 0.00 0.00 0.00 0.00 54 N 7.86 4.45 0.00 2.67 2.73 0.00 0.00 7.12 9.27 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 55 A 8.73 4.14 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 56 I 7.80 4.54 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.90 0.00 0.00 57 R 7.96 4.00 0.00 2.12 2.06 0.00 3.39 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 58 R 8.01 4.22 0.00 1.91 1.92 0.00 3.20 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 *60 L 8.04 4.22 0.00 1.70 1.55 0.83 0.81 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 61 Y 8.09 4.18 0.00 3.21 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.12 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 63 G 8.00 3.63 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 0.00 0.00 0.00 64 V 7.70 3.61 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 1.19 0.00 0.00 0.87 0.00 0.00 65 I 8.11 3.57 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.74 0.00 0.00 66 S 8.13 4.14 0.00 4.14 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 0.00 67 S 8.03 4.23 0.00 4.03 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 68 A 7.88 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.91 3.93 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.95 0.00 0.00 70 D 8.11 4.81 0.00 2.99 2.86 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 *72 T 7.89 4.29 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 1.33 0.00 0.00 73 A 8.46 4.17 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 0.00 0.00 0.00 0.00 0.00 74 G 8.40 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.90 3.98 0.00 1.15 1.74 0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.97 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 77 A 8.48 4.03 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 78 F 8.08 4.38 0.00 3.23 3.27 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 *80 G 8.01 3.68 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 0.00 0.00 0.00 81 F 8.03 4.20 0.00 3.07 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 82 Q 7.81 3.93 0.00 1.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 1.43 1.98 0.00 83 E 7.47 3.95 0.00 1.68 2.14 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 2.28 2.29 0.00 84 K 7.32 4.28 0.00 2.03 1.82 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.37 7.81 *86 S 7.91 4.48 0.00 3.99 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 87 G 7.95 3.78 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 0.00 0.00 0.00 88 K 7.66 4.47 0.00 1.76 1.86 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.37 7.81 89 P 0.00 4.81 0.00 2.38 1.36 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 *91 E 9.13 4.30 0.00 2.14 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 0.00 2.31 2.41 0.00 92 E 8.20 4.06 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 2.32 2.41 0.00 93 K 7.64 4.19 0.00 1.78 1.97 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.64 7.81 94 L 8.00 4.29 0.00 1.64 1.76 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.94 4.21 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 *97 I 7.94 4.27 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.91 0.00 0.00 98 G 7.69 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.92 4.13 0.00 1.85 2.09 0.00 3.18 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 100 L 7.42 4.80 0.00 1.81 1.82 1.12 0.95 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 0.00 101 S 9.22 4.79 0.00 3.90 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 0.00 102 T 8.16 3.71 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 1.01 0.00 0.00 *104 S 8.34 4.19 0.00 3.91 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 0.00 105 L 8.63 5.03 0.00 1.61 1.53 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.50 4.93 0.00 3.20 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.49 4.78 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 0.12 0.00 0.00 0.90 0.00 0.00 108 E 8.98 4.79 0.00 1.85 1.82 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 2.21 2.40 0.00 109 Y 8.85 4.86 0.00 2.77 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 0.00 110 L 9.16 4.55 0.00 1.62 1.71 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.60 4.56 0.00 1.84 1.84 0.00 3.03 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 1.48 1.61 0.00 112 P 0.00 4.23 0.00 2.00 2.01 0.00 3.62 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 2.00 2.05 0.00 113 G 8.24 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 0.00 114 L 7.13 3.27 0.00 1.68 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.63 4.20 0.00 1.75 1.95 0.00 3.21 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 117 E 8.13 5.24 0.00 2.07 1.88 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 2.22 2.31 0.00 118 F 8.39 5.25 0.00 3.20 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 0.00 119 V 8.70 5.04 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 0.87 0.00 0.00 1.05 0.00 0.00 120 C 9.53 5.29 0.00 3.22 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 0.00 121 T 9.15 4.86 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 0.70 0.00 0.00 122 G 8.89 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 0.00 0.00 0.00 0.00 123 Y 9.27 5.17 0.00 2.89 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 0.00 124 N 9.32 4.75 0.00 2.68 2.77 0.00 0.00 7.21 7.70 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 0.00 125 V 8.73 3.85 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 0.75 0.00 0.00 0.97 0.00 0.00 126 R 7.61 4.49 0.00 1.49 1.71 0.00 3.26 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 127 T 8.63 4.61 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 0.60 0.00 0.00 128 G 8.62 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 0.00 0.00 0.00 129 N 9.03 4.55 0.00 2.72 2.91 0.00 0.00 6.64 6.68 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 0.00 130 K 8.20 4.56 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.35 7.81 131 V 7.87 5.01 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 1.05 0.00 0.00 1.00 0.00 0.00 132 A 9.35 4.97 0.94 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 0.00 133 V 8.68 4.63 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 0.98 0.00 0.00 0.95 0.00 0.00 134 I 9.14 5.09 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.99 0.00 0.00 135 R 9.19 5.20 0.00 1.45 1.78 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 136 T 9.30 5.32 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 1.34 0.00 0.00 137 E 9.31 4.71 0.00 2.04 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 2.31 2.49 0.00 138 L 9.26 5.49 0.00 1.69 1.57 0.88 0.35 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 *140 N 8.27 4.99 0.00 3.06 3.05 0.00 0.00 5.92 8.07 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 0.00 141 D 8.99 4.45 0.00 2.72 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 0.00 142 Q 8.14 4.32 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 143 D 7.95 4.44 0.00 2.84 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 0.00 144 E 8.20 4.22 0.00 2.16 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 2.34 2.42 0.00 145 L 8.56 4.12 0.00 1.60 1.60 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.55 4.46 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.95 0.00 0.00 147 A 7.59 4.97 0.94 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 0.00 148 V 8.56 4.89 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 0.73 0.00 0.00 0.91 0.00 0.00 149 G 8.89 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 0.00 0.00 0.00 0.00 150 S 9.31 5.28 0.00 3.73 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 0.00 151 V 8.97 4.93 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 1.25 0.00 0.00 1.02 0.00 0.00 152 S 9.15 5.34 0.00 3.71 3.78 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 0.00 153 Y 9.19 5.04 0.00 3.09 3.05 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 0.00 0.00 0.00 154 I 8.72 5.49 1.92 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 1.38 1.93 0.98 0.00 0.00 155 L 8.33 4.66 0.00 1.32 1.49 0.31 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.75 3.88 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 0.64 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.