NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.3128 8.1576 121.7919 56.1729 33.4040 174.1183 29 V 4.5809 8.3312 125.2466 58.9962 34.3069 169.8729 30 V 4.4026 9.0773 123.3839 61.2543 34.4915 174.9765 31 K 5.1814 8.8191 129.5397 54.7725 34.4055 174.7688 32 F 5.1772 8.4302 121.0389 56.2622 41.9485 172.5345 33 S 4.8098 8.5376 112.3895 57.3543 66.2286 172.7048 34 Y 4.5612 8.2976 120.7884 56.1510 42.1231 172.9774 35 M 5.0951 7.9690 125.9647 53.5558 34.4081 174.4095 36 W 4.9272 9.3782 135.0000 56.0139 33.5956 173.8513 37 T 4.9334 8.9001 124.0385 62.0208 70.0216 173.9955 38 I 4.2546 8.5641 128.3792 59.6279 38.6346 175.2970 39 N 4.8078 8.8499 124.6806 52.8023 39.9391 174.5093 40 N 4.6980 8.7548 114.4438 53.2031 36.6801 176.5875 41 F 4.0728 8.8090 122.3408 61.2639 39.8407 176.8484 42 S 4.1048 8.7560 113.9306 60.1637 62.7639 174.6609 43 F 4.3961 7.9374 118.6419 57.1401 39.2530 175.8205 44 C 3.8861 7.3979 119.1455 60.8127 28.1275 174.0101 45 R 4.4146 7.8305 121.8619 55.7439 30.2473 176.5892 46 E 4.1759 7.9606 118.7342 56.7684 29.9488 176.7516 47 E 4.4408 9.2256 123.7905 54.4512 31.3971 175.0629 48 M 4.3432 8.3872 119.1697 57.8527 32.2927 176.0164 49 G 4.0845 9.2371 114.9365 45.5404 0.0000 173.7983 50 E 4.3536 8.1251 119.3639 56.0501 30.2844 175.8418 51 V 4.8847 8.0100 119.3719 60.1951 34.9283 174.5067 52 I 4.8215 9.0501 123.6887 59.5068 39.8541 174.6893 53 K 5.1673 8.8014 125.8994 55.1792 34.8361 176.2033 54 S 3.7459 7.9538 117.8791 57.1009 64.2406 173.7867 55 S 4.3902 8.1902 116.1808 58.7522 63.2382 174.6805 56 T 4.4671 8.2200 112.1632 61.6417 69.8472 173.5073 57 F 4.9932 8.7226 117.7557 55.7920 41.2539 173.1576 58 S 4.8328 8.2852 114.3232 57.3650 65.5419 173.8668 59 S 3.7102 7.9480 113.9025 60.8225 63.1131 174.5555 *65 L 4.0908 7.5772 119.0408 54.0193 42.6209 176.5916 66 K 4.6471 8.2341 122.2792 54.3068 35.5143 175.3448 67 W 5.2393 8.6613 123.4392 55.0950 33.5988 173.7360 68 C 4.9368 8.8454 115.1994 57.3332 33.2049 172.6994 69 L 5.3069 8.7707 119.4183 53.5879 43.9804 176.1435 70 R 5.3696 9.1303 119.6805 54.7638 34.4368 174.7558 71 V 5.0226 9.4627 116.2061 59.7811 35.9063 174.7159 72 N 5.3560 9.0548 122.1113 50.2637 39.1366 173.8664 73 P 4.5130 0.0000 0.0000 64.6738 31.6830 177.8690 74 K 4.5185 8.2905 115.8197 55.7563 32.8685 177.0154 75 G 4.2513 8.2217 104.1251 45.7805 0.0000 175.2527 76 L 4.0460 8.2832 122.1233 57.6786 42.5309 176.2005 77 D 4.5463 7.9971 115.9278 52.6730 42.5388 175.3768 78 E 3.9477 8.7833 118.8591 59.5193 29.6910 178.6093 79 E 4.0208 7.8510 118.1460 58.5560 29.9399 177.3940 80 S 4.8415 8.1866 112.1528 57.4616 63.3661 173.4735 81 K 4.0894 7.7482 121.7744 59.0559 32.2528 176.0909 82 D 4.5145 9.0429 122.9091 55.1557 38.3997 172.3738 83 Y 5.1764 7.9260 115.8785 55.9939 40.9895 175.0867 84 L 4.7325 9.0185 124.6749 54.9340 43.6980 175.5998 85 S 5.3410 8.8562 121.6025 57.0206 65.8034 172.7787 86 L 4.9637 8.2613 124.5786 53.6205 45.3561 174.6442 87 Y 5.0990 8.9175 122.6244 56.1422 42.8979 173.7150 88 L 5.1360 9.1374 124.8084 53.5638 44.2965 174.7135 89 L 5.2943 9.1216 128.7242 53.1905 45.1474 174.9634 90 L 3.8049 8.7962 128.8831 54.2516 41.9332 177.1967 91 V 3.5706 8.2677 128.2254 65.3474 32.3251 176.4753 92 S 4.7431 7.3852 113.9839 56.6849 65.8877 172.4931 93 C 4.8240 8.8489 126.6016 57.3820 34.3576 172.0036 94 P 4.4144 0.0000 0.0000 63.4897 31.5913 175.1298 95 K 4.7011 7.4093 116.9163 54.6023 35.6547 176.1539 96 S 4.2879 8.6695 114.5467 61.3093 62.7834 174.4813 97 E 5.1076 7.6854 114.7223 54.9902 32.7545 174.7782 98 V 4.6308 9.1692 120.0741 61.3525 35.5281 174.1068 99 R 5.3907 8.8118 125.4858 54.7000 32.4150 174.9698 100 A 5.2441 9.4193 124.8792 50.4923 23.0600 175.3546 101 K 4.8376 9.1330 121.3970 55.6603 34.4775 175.8079 102 F 5.2423 8.1101 116.0739 55.5401 41.7991 173.0704 103 K 4.8986 8.8946 121.2195 54.8181 35.6205 174.7694 104 F 5.7970 9.2887 125.9696 55.9864 42.0779 174.6455 105 S 5.3439 9.4337 116.1531 57.2140 67.3683 172.3330 106 I 4.9781 8.7958 121.0188 59.6877 39.3077 174.9871 107 L 4.9557 8.6729 127.7545 53.8215 42.7362 177.0962 108 N 4.6621 8.8825 121.8960 51.6023 39.3585 175.3654 109 A 3.9095 8.4831 119.8698 55.3408 18.3707 178.6602 110 K 4.1317 8.1625 112.5834 56.6369 32.4297 177.7782 111 G 3.8674 8.3275 107.8060 45.2950 0.0000 173.5338 112 E 4.3392 8.2366 119.6157 55.4260 31.0657 175.9450 113 E 4.5626 8.6330 123.0663 56.8720 30.2450 176.0847 114 T 4.6043 8.9339 118.1728 60.0336 71.8518 172.9190 115 K 3.7518 8.5721 120.6940 57.2788 29.7182 175.5807 116 A 4.7139 7.7723 118.2093 52.3444 19.7837 178.0156 117 M 4.7516 9.4651 120.1543 53.7577 34.9681 173.8528 118 E 5.2021 8.4590 122.7786 54.0560 33.8184 175.0077 119 S 3.9998 8.5115 119.4929 60.3208 62.6605 173.3235 120 Q 3.8609 8.2915 124.5961 54.3927 27.1929 170.9076 121 R 4.6601 7.2913 113.0225 53.8084 32.3531 174.8218 122 A 4.4207 8.2668 121.0507 52.1471 19.2933 176.5355 123 Y 4.1969 9.1446 118.7227 55.9961 41.3767 175.3209 124 R 4.9078 8.4086 121.2243 55.8237 31.0560 175.7933 125 F 5.1187 10.0741 123.9193 55.9716 41.6409 175.5722 126 V 4.8120 8.2490 114.6618 58.7969 35.9670 174.7752 127 Q 4.0102 8.5368 122.8073 58.1462 28.9220 176.9275 128 G 3.8679 9.2249 114.2534 44.8668 0.0000 172.7947 129 K 4.3375 8.2220 122.8481 55.4043 33.4674 175.1384 130 D 5.7799 8.3496 126.1363 51.5249 42.1768 175.3213 131 W 4.9834 9.1217 119.2615 54.9085 33.2413 175.2792 132 G 3.7449 7.9986 109.7380 46.1991 0.0000 173.2194 133 F 4.8217 7.7289 122.4167 55.3527 41.6384 175.9069 134 K 4.1745 9.0152 125.9912 58.8900 33.2983 177.8055 135 K 4.1356 7.6012 119.0281 55.2081 31.6896 176.1125 136 F 4.4540 8.3280 123.8629 60.9540 40.2232 174.9393 137 I 4.4341 7.5020 118.2246 58.2284 40.8896 173.5642 138 R 3.9858 8.4676 125.8610 55.9799 31.3467 177.9378 139 R 4.0933 8.7758 124.2547 59.6315 29.9915 179.0538 140 G 3.6058 7.9251 103.3017 46.7258 0.0000 175.2005 141 F 4.2833 7.9568 122.9528 61.2304 39.4640 176.7336 142 L 3.7725 7.8781 118.5100 58.2501 41.9848 178.6272 143 L 4.4346 7.9982 116.9481 55.5119 42.0004 176.5682 144 D 4.4736 7.5711 119.9026 52.8923 40.7090 176.0492 145 E 3.8201 8.9297 126.2848 59.4477 29.3706 179.4492 146 A 3.9236 7.8399 120.9615 54.8179 18.4364 178.0907 147 N 4.2819 7.9165 111.9370 54.0966 38.6640 176.3686 148 G 3.8401 8.1439 106.5326 45.8727 0.0000 174.0618 149 L 4.4076 7.5597 116.9052 54.4959 42.8412 176.6160 150 L 5.3751 7.4553 117.4274 51.4548 42.2389 174.6743 151 P 4.5125 0.0000 0.0000 64.2657 32.1204 176.8784 152 D 4.1609 9.4995 121.0183 55.1880 38.5158 172.7945 153 D 4.4771 8.1549 114.5979 55.3690 40.5576 172.3327 154 K 4.8619 7.9769 116.3258 54.0271 35.0113 175.0441 155 L 4.5886 8.6496 127.5132 53.9620 43.7873 175.0481 156 T 5.0060 8.3988 122.7426 61.9250 71.1338 172.9939 157 L 5.2254 9.0874 127.1852 52.9794 44.8747 175.4986 158 F 5.4263 9.4404 124.4682 56.7169 42.5624 172.8240 159 C 5.1771 8.8010 127.0424 57.5659 34.0946 172.0016 160 E 4.6262 8.8858 125.9402 54.3711 31.8915 174.9595 161 V 4.2999 8.0760 124.8278 60.8497 34.4407 174.4250 162 S 4.8960 8.7928 123.8780 56.5928 65.5853 173.3255 163 V 4.3785 8.8521 126.9646 62.4091 32.4322 176.4763 164 V 4.6187 8.2801 120.7707 60.5658 31.6555 175.7226 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 28 K 8.16 4.31 0.00 1.82 1.78 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 V 8.33 4.58 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 0.76 0.00 0.00 0.95 0.00 0.00 30 V 9.08 4.40 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 1.11 0.00 0.00 0.99 0.00 0.00 31 K 8.82 5.18 0.00 1.78 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.44 7.81 32 F 8.43 5.18 0.00 3.16 3.09 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 33 S 8.54 4.81 0.00 3.15 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.30 4.56 0.00 1.43 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 0.00 0.00 0.00 35 M 7.97 5.10 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 36 W 9.38 4.93 0.00 3.48 3.02 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 37 T 8.90 4.93 4.29 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 1.25 0.00 0.00 38 I 8.56 4.25 1.69 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.36 0.97 0.00 0.00 39 N 8.85 4.81 0.00 2.65 2.77 0.00 0.00 7.27 8.00 0.00 0.00 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 N 8.75 4.70 0.00 2.93 2.92 0.00 0.00 7.25 8.13 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 41 F 8.81 4.07 0.00 3.07 3.09 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 42 S 8.76 4.10 0.00 3.78 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 43 F 7.94 4.40 0.00 3.18 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 44 C 7.40 3.89 0.00 2.58 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 45 R 7.83 4.41 0.00 1.62 1.95 0.00 3.19 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 46 E 7.96 4.18 0.00 1.93 1.92 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 2.36 2.43 0.00 47 E 9.23 4.44 0.00 1.98 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 2.28 2.38 0.00 48 M 8.39 4.34 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 49 G 9.24 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 50 E 8.13 4.35 0.00 2.29 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 2.34 2.26 0.00 51 V 8.01 4.88 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 0.77 0.00 0.00 1.06 0.00 0.00 52 I 9.05 4.82 2.18 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 1.50 0.90 1.28 0.00 0.00 53 K 8.80 5.17 0.00 1.69 1.80 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 54 S 7.95 3.75 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.19 4.39 0.00 3.80 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 56 T 8.22 4.47 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 1.10 0.00 0.00 57 F 8.72 4.99 0.00 3.13 2.69 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 58 S 8.29 4.83 0.00 3.90 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 59 S 7.95 3.71 0.00 3.72 2.81 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 *65 L 7.58 4.09 0.00 1.53 1.44 0.86 0.97 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 66 K 8.23 4.65 0.00 1.41 1.46 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.40 7.81 67 W 8.66 5.24 0.00 1.78 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 68 C 8.85 4.94 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.77 5.31 0.00 1.48 1.82 1.28 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.13 5.37 0.00 1.86 1.89 0.00 3.06 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 71 V 9.46 5.02 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 0.80 0.00 0.00 1.08 0.00 0.00 72 N 9.05 5.36 0.00 2.85 2.96 0.00 0.00 6.90 8.87 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 73 P 0.00 4.51 0.00 2.01 2.05 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 74 K 8.29 4.52 0.00 1.74 1.81 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.43 7.81 75 G 8.22 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 0.00 0.00 0.00 0.00 76 L 8.28 4.05 0.00 1.80 1.83 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.00 4.55 0.00 2.93 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 78 E 8.78 3.95 0.00 2.05 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 2.34 0.00 79 E 7.85 4.02 0.00 2.14 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 0.00 2.34 2.29 0.00 80 S 8.19 4.84 0.00 4.28 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 81 K 7.75 4.09 0.00 1.93 1.87 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.48 7.81 82 D 9.04 4.51 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.93 5.18 0.00 3.09 2.92 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 84 L 9.02 4.73 0.00 1.93 1.74 1.10 1.40 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 85 S 8.86 5.34 0.00 4.25 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 86 L 8.26 4.96 0.00 1.26 0.66 0.72 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.92 5.10 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 9.14 5.14 0.00 1.86 1.55 1.04 -0.16 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 89 L 9.12 5.29 0.00 1.80 1.64 0.95 0.20 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 90 L 8.80 3.80 0.00 1.35 1.61 -0.50 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.27 3.57 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 0.63 0.00 0.00 0.79 0.00 0.00 92 S 7.39 4.74 0.00 3.73 3.43 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 93 C 8.85 4.82 0.00 2.70 2.61 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 94 P 0.00 4.41 0.00 2.18 2.10 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 95 K 7.41 4.70 0.00 1.84 1.81 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.27 1.59 7.81 96 S 8.67 4.29 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.69 5.11 0.00 2.01 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 2.21 2.36 0.00 98 V 9.17 4.63 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 1.30 0.00 0.00 0.94 0.00 0.00 99 R 8.81 5.39 0.00 2.02 1.90 0.00 3.40 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 100 A 9.42 5.24 1.26 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 0.00 101 K 9.13 4.84 0.00 1.64 1.61 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.36 7.81 102 F 8.11 5.24 0.00 2.59 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 0.00 103 K 8.89 4.90 0.00 1.69 1.53 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.54 7.81 104 F 9.29 5.80 0.00 3.00 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 0.00 105 S 9.43 5.34 0.00 4.11 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 0.00 106 I 8.80 4.98 1.96 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 1.43 1.09 0.98 0.00 0.00 107 L 8.67 4.96 0.00 1.49 1.54 0.70 1.28 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 0.00 108 N 8.88 4.66 0.00 2.93 2.99 0.00 0.00 6.48 8.25 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 0.00 109 A 8.48 3.91 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 0.00 110 K 8.16 4.13 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 111 G 8.33 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 0.00 112 E 8.24 4.34 0.00 2.04 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 2.26 0.00 113 E 8.63 4.56 0.00 1.89 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 2.42 2.30 0.00 114 T 8.93 4.60 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 1.35 0.00 0.00 115 K 8.57 3.75 0.00 1.82 1.60 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.40 7.81 116 A 7.77 4.71 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 0.00 117 M 9.47 4.75 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.81 0.00 118 E 8.46 5.20 0.00 1.92 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 2.18 2.20 0.00 119 S 8.51 4.00 0.00 3.42 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.29 3.86 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 121 R 7.29 4.66 0.00 1.60 1.81 0.00 2.67 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.00 122 A 8.27 4.42 1.25 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 0.00 0.00 0.00 123 Y 9.14 4.20 0.00 2.59 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.91 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 125 F 10.07 5.12 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.25 4.81 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 0.88 0.00 0.00 0.93 0.00 0.00 127 Q 8.54 4.01 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 128 G 9.22 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 0.00 129 K 8.22 4.34 0.00 1.85 1.95 0.00 1.11 0.00 0.00 1.50 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.94 7.81 130 D 8.35 5.78 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.12 4.98 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.00 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 0.00 133 F 7.73 4.82 0.00 3.23 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 0.00 134 K 9.02 4.17 0.00 2.01 2.17 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 135 K 7.60 4.14 0.00 1.38 0.74 0.00 1.22 0.00 0.00 1.45 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.70 1.15 7.81 136 F 8.33 4.45 0.00 3.11 3.39 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 0.00 0.00 0.00 0.00 137 I 7.50 4.43 1.36 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 1.02 0.00 0.00 138 R 8.47 3.99 0.00 1.86 1.70 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.48 0.00 139 R 8.78 4.09 0.00 1.92 2.01 0.00 3.37 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 1.66 1.76 0.00 140 G 7.93 3.61 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 0.00 141 F 7.96 4.28 0.00 3.09 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 0.00 142 L 7.88 3.77 0.00 1.84 1.89 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.00 4.43 0.00 1.72 1.69 0.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.57 4.47 0.00 2.67 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 0.00 145 E 8.93 3.82 0.00 2.14 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 2.33 2.30 0.00 146 A 7.84 3.92 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 0.00 147 N 7.92 4.28 0.00 2.21 2.26 0.00 0.00 7.05 7.24 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 0.00 148 G 8.14 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 0.00 149 L 7.56 4.41 0.00 1.49 1.64 1.07 0.94 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 0.00 150 L 7.46 5.38 0.00 1.63 1.57 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.51 0.00 2.20 2.17 0.00 4.03 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 152 D 9.50 4.16 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.15 4.48 0.00 3.03 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 0.00 154 K 7.98 4.86 0.00 1.85 1.66 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.58 7.81 155 L 8.65 4.59 0.00 1.12 1.15 0.67 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.40 5.01 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 157 L 9.09 5.23 0.00 1.69 1.64 0.78 0.76 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 0.00 158 F 9.44 5.43 0.00 3.02 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 0.00 159 C 8.80 5.18 0.00 3.25 2.69 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 0.00 160 E 8.89 4.63 0.00 1.71 1.62 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 1.91 1.66 0.00 161 V 8.08 4.30 0.67 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 -0.01 0.00 0.00 0.36 0.00 0.00 162 S 8.79 4.90 0.00 3.67 3.71 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 0.00 163 V 8.85 4.38 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 1.18 0.00 0.00 1.27 0.00 0.00 164 V 8.28 4.62 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 0.93 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.