NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1519 8.2644 123.5814 52.0354 19.9825 176.7284 3 D 4.6355 8.2086 121.2388 52.0439 42.1468 175.5049 4 G 3.5489 8.9036 117.2918 47.4889 0.0000 173.3079 5 A 3.5432 7.9419 122.8837 54.7862 18.5891 179.6927 6 K 3.9460 8.2385 117.3679 60.0265 32.5061 179.5097 7 I 3.6600 7.6991 120.2672 64.3657 37.3922 177.4145 8 Y 4.1211 8.2713 120.3172 60.5644 38.3304 177.8337 9 A 3.9686 7.8500 120.9314 55.3021 18.6020 179.1861 10 Q 4.2382 7.9115 116.1005 58.0589 28.8653 177.0995 *11 C 4.8483 7.9363 117.0173 57.4550 29.5154 179.8093 12 A 3.9713 7.6940 121.7982 52.5592 18.6514 180.3079 13 G 3.5762 7.7681 106.5625 48.2110 0.0000 174.4563 14 C 3.5627 7.4702 115.5159 61.6340 29.3992 174.8885 15 H 4.3335 7.5898 114.9504 56.5896 29.0421 176.3033 16 Q 4.4574 8.1175 115.0203 55.7632 28.3715 174.5447 17 Q 4.2858 8.6023 118.5342 59.0163 28.8645 177.3846 18 N 4.6764 8.2381 112.5390 52.4528 38.0458 175.8244 19 G 2.3767 8.0229 107.5946 45.8409 0.0000 174.9502 20 Q 3.9681 8.2340 117.4591 55.0337 29.3291 177.3373 21 G 3.9267 8.0853 107.7433 44.5688 0.0000 172.3436 22 I 4.6240 8.4389 118.8808 58.5766 40.6712 173.4349 23 P 4.4242 0.0000 0.0000 64.0592 31.7297 177.4431 24 G 3.7729 8.5862 111.5675 45.4147 0.0000 173.8784 25 A 4.1660 7.7630 119.6193 52.9028 20.3964 176.7924 26 F 5.0317 8.2365 116.1223 54.7946 41.4320 173.5204 27 P 4.0367 0.0000 0.0000 61.2094 31.8330 174.5034 28 P 4.3004 0.0000 0.0000 63.0332 32.2651 175.8896 29 L 4.3145 8.8157 120.2720 56.4146 42.8176 177.2264 30 A 4.3608 7.1103 120.1269 53.8639 18.3011 177.9528 31 G 4.0438 9.6800 111.9260 46.3138 0.0000 174.1073 32 H 5.0127 8.1765 119.6183 56.2387 31.0927 176.1292 33 V 3.5402 7.8553 119.6622 66.0362 31.2852 177.5445 34 A 3.9924 8.8910 120.7105 55.2548 18.1032 179.4939 35 E 3.9521 7.9828 116.6491 59.5694 29.5082 179.6843 36 I 3.8605 7.5959 119.4004 64.3892 37.1379 178.3394 37 L 4.1190 8.1988 118.7518 57.4733 41.4991 178.8777 38 A 4.1685 7.8294 119.1095 52.7310 18.9808 177.6311 39 K 4.2501 7.6070 118.0826 54.9962 33.1922 176.1268 40 E 4.1156 8.5539 124.0600 57.6420 30.1242 177.1624 41 G 4.1497 9.1217 114.7115 45.3996 0.0000 175.2192 42 G 3.7533 8.4175 107.2460 47.9534 0.0000 175.8803 43 R 4.2545 8.1662 120.1680 59.3714 30.0128 178.8610 44 E 4.1062 8.2827 117.6574 59.4527 29.4470 178.5401 45 Y 4.2016 8.2374 119.6439 60.8428 38.7500 178.2290 46 L 3.7315 8.1705 119.7963 57.7609 41.5986 179.6598 47 I 3.6095 7.6846 119.3004 64.2441 36.9845 178.3654 48 L 3.9512 8.0874 120.0648 57.7497 41.3667 179.6734 49 V 3.6436 7.5679 118.1967 66.1187 31.4216 178.1303 50 L 3.9690 7.4775 118.6089 57.7968 41.1924 179.5554 51 L 3.9178 7.7697 118.2222 56.7693 41.9070 177.3988 52 Y 4.7571 8.2770 113.9862 56.7543 39.7725 176.3513 53 G 4.3697 9.8795 107.9189 45.1258 0.0000 172.1603 54 L 4.6451 8.3259 118.0793 54.1829 45.1377 174.0832 55 Q 5.0550 7.9965 120.0037 55.4230 31.3901 173.7559 56 G 3.9858 8.6990 104.6019 44.3624 0.0000 173.2030 57 Q 4.6600 8.3156 118.4665 55.7951 29.2641 176.0267 58 I 4.9618 8.9862 116.4692 59.2754 41.7997 173.3299 59 E 5.2582 8.7294 123.7035 54.5433 31.9275 175.3615 60 V 4.2345 8.7766 125.9787 61.9689 33.9767 175.3097 61 K 3.9628 9.6283 127.2050 57.6612 29.2686 177.0087 62 G 3.9737 8.4436 105.7181 45.9871 0.0000 174.2998 63 M 4.3700 7.7871 119.8415 53.9162 33.4595 174.7979 64 K 4.8995 8.0794 122.9607 55.6735 33.7679 175.2680 65 Y 4.6453 9.1578 124.1996 55.8634 41.6740 175.0897 66 N 5.4468 8.4769 119.9061 52.9681 38.2738 172.1635 67 G 4.6027 7.8576 109.2734 44.4369 0.0000 170.6466 68 V 4.9094 8.4565 118.3327 61.2973 34.8025 175.5102 69 M 4.9304 9.2148 126.9181 53.6032 35.1046 174.9556 70 S 4.6152 8.8312 119.9970 57.8400 63.6207 173.4557 71 S 4.3938 8.5875 118.9527 58.1210 63.1891 174.0122 72 F 4.8759 9.4498 124.4002 56.1981 39.4775 177.2970 73 A 4.1019 7.9229 124.9296 54.1690 18.3456 179.7589 74 Q 4.1378 7.9467 113.7631 57.9405 29.0931 176.4206 75 L 4.3160 7.7997 119.7467 54.2906 42.3742 177.6972 76 K 4.2750 9.4815 122.6834 55.8589 34.0851 178.1308 77 D 4.3911 8.6481 120.6161 58.0774 40.7421 179.3277 78 E 4.0166 8.1389 118.1818 59.4069 29.4715 179.1077 79 E 4.0540 7.9697 118.2267 59.1789 29.7049 179.1391 80 I 3.6447 8.2741 120.2658 64.0244 37.0373 178.0675 81 A 3.9788 8.0881 121.4862 55.3292 18.2402 179.5984 82 A 3.9445 8.0375 119.3120 55.2798 18.4067 180.2894 83 V 3.6050 7.9167 117.7515 64.8377 31.5547 178.7020 84 L 3.6746 7.8247 119.6472 57.4124 41.3644 179.1378 85 N 4.6325 8.4445 116.8888 56.3933 38.3876 176.9219 86 H 3.8961 8.1303 119.9179 59.2232 29.8230 177.4745 87 I 3.1149 7.4248 112.7803 63.1934 37.7053 177.4619 88 A 4.0596 7.9610 122.7826 53.8852 18.3928 178.7280 89 T 4.2786 7.2409 106.2497 62.3123 70.2966 176.3063 90 A 3.5408 7.7756 124.1953 53.7620 18.2415 177.9712 91 W 4.7227 7.4369 114.0025 56.5826 30.0486 176.4979 92 G 3.9479 8.0416 105.7642 45.7328 0.0000 176.0270 93 D 4.2485 7.9830 120.7491 57.1484 40.9507 178.4241 94 A 3.7618 7.9313 120.7736 54.1116 18.2623 178.3737 95 K 4.1418 7.5874 114.1054 57.7338 31.6889 178.0569 96 K 4.1806 7.3034 119.0070 57.2093 32.8275 176.9981 97 V 3.4828 7.5243 112.7104 61.6512 32.2757 176.1780 98 K 3.8928 8.7451 125.4510 56.8203 32.3656 175.1036 99 G 3.7829 8.7395 115.5395 46.0692 0.0000 171.6285 100 F 4.8700 8.6335 126.3641 55.7994 41.3359 174.6979 101 K 4.1694 7.4985 126.3871 53.4548 33.6247 174.5900 102 P 4.0073 0.0000 0.0000 62.3525 31.8818 176.2816 103 F 4.3055 8.7200 120.0140 58.0007 39.6502 174.8829 104 T 4.7148 8.4413 112.6990 58.8432 71.9427 174.6419 105 A 4.0079 8.7952 124.5860 55.9107 18.2610 180.1468 106 E 4.0307 8.1462 116.0720 59.3219 29.5443 179.2281 107 E 4.0117 8.0651 118.7049 59.2334 29.3969 179.5169 108 V 3.7107 7.5994 117.8710 65.6532 31.5534 177.5636 109 K 3.9103 8.4086 120.1636 59.6978 31.7533 178.7977 110 K 4.0437 7.8688 117.3938 59.7296 32.8291 178.6636 111 L 4.3019 7.5879 118.6272 57.0361 41.5000 179.0155 112 R 4.4553 8.4316 119.3585 58.4866 30.0740 177.7047 113 A 4.5010 7.6451 118.6332 52.4389 19.0283 177.4078 114 K 4.3329 7.8508 117.8072 53.5303 32.8224 174.6777 115 K 3.5777 8.3844 125.5669 55.6929 32.8644 176.1187 116 L 4.7164 5.7111 125.1363 52.7156 44.7787 176.7461 117 T 4.3344 8.4175 111.7186 60.5667 71.3334 174.1891 118 P 4.3125 0.0000 0.0000 65.9195 31.3226 178.7739 119 Q 4.0252 8.0632 117.9492 59.3466 29.0728 178.1843 120 Q 4.0718 8.2329 119.1173 58.7241 28.6426 178.7773 121 V 3.7485 8.0121 119.6806 65.8298 31.5707 177.6635 122 L 4.0354 8.1786 119.9791 58.2937 41.9319 178.8514 123 A 4.0520 7.9884 120.5481 55.2893 18.0668 179.5090 124 E 3.9938 8.1641 116.2887 59.3459 29.8461 179.0930 125 R 3.2779 8.1676 118.9185 59.2936 30.0459 178.7791 126 K 4.1539 8.0566 118.1283 59.3523 31.8278 179.3341 127 K 4.1029 7.7213 117.3124 58.5791 32.0023 178.5318 128 L 4.2471 7.6169 118.2443 55.4308 41.7693 177.7469 129 G 3.9441 8.2076 107.5237 45.0214 0.0000 173.3495 130 L 4.3496 7.3804 118.8554 53.7298 42.7752 176.9684 131 K 4.1885 8.4900 120.5517 56.6097 32.2541 176.3974 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.15 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 3 D 8.21 4.64 0.00 2.80 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 0.00 0.00 0.00 0.00 4 G 8.90 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.94 3.54 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 6 K 8.24 3.95 0.00 2.01 2.06 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.57 7.81 7 I 7.70 3.66 1.86 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 1.40 0.62 0.90 0.00 0.00 8 Y 8.27 4.12 0.00 2.95 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 9 A 7.85 3.97 1.39 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 0.00 0.00 10 Q 7.91 4.24 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 *11 C 7.94 4.85 0.00 2.62 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 A 7.69 3.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.77 3.58 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 0.00 0.00 0.00 14 C 7.47 3.56 0.00 2.40 1.66 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 0.00 0.00 0.00 0.00 15 H 7.59 4.33 0.00 3.37 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.12 4.46 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 17 Q 8.60 4.29 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 18 N 8.24 4.68 0.00 2.72 2.95 0.00 0.00 6.03 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 19 G 8.02 2.38 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 20 Q 8.23 3.97 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 21 G 8.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.44 4.62 2.01 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 1.53 1.28 0.92 0.00 0.00 23 P 0.00 4.42 0.00 2.14 1.97 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 24 G 8.59 3.77 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 0.00 0.00 0.00 25 A 7.76 4.17 0.53 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 26 F 8.24 5.03 0.00 3.08 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 27 P 0.00 4.04 0.00 1.83 0.90 0.00 3.82 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 28 P 0.00 4.30 0.00 2.13 2.20 0.00 3.50 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 1.89 1.97 0.00 29 L 8.82 4.31 0.00 1.47 1.80 0.91 0.88 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 30 A 7.11 4.36 0.78 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 31 G 9.68 4.04 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 0.00 0.00 0.00 32 H 8.18 5.01 0.00 3.18 3.50 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 3.54 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 1.08 0.00 0.00 0.96 0.00 0.00 34 A 8.89 3.99 1.36 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 0.00 0.00 35 E 7.98 3.95 0.00 2.24 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 2.36 2.38 0.00 36 I 7.60 3.86 2.03 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 1.65 0.58 1.11 0.00 0.00 37 L 8.20 4.12 0.00 1.76 1.81 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.83 4.17 1.36 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 0.00 0.00 39 K 7.61 4.25 0.00 1.93 1.73 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.49 7.81 40 E 8.55 4.12 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 2.31 2.32 0.00 41 G 9.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.42 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 0.00 0.00 0.00 43 R 8.17 4.25 0.00 1.92 2.09 0.00 2.95 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 44 E 8.28 4.11 0.00 2.31 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 2.46 2.49 0.00 45 Y 8.24 4.20 0.00 3.15 3.23 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 L 8.17 3.73 0.00 1.97 1.58 1.12 0.63 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 47 I 7.68 3.61 2.06 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 1.54 0.85 0.88 0.00 0.00 48 L 8.09 3.95 0.00 1.80 1.87 1.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.57 3.64 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 1.06 0.00 0.00 0.35 0.00 0.00 50 L 7.48 3.97 0.00 1.62 1.61 0.71 0.64 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 51 L 7.77 3.92 0.00 0.53 0.17 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.28 4.76 0.00 3.10 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 53 G 9.88 4.37 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 0.00 54 L 8.33 4.65 0.00 1.79 1.55 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.00 5.05 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 56 G 8.70 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.32 4.66 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 58 I 8.99 4.96 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.99 0.00 0.00 59 E 8.73 5.26 0.00 2.01 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 2.22 2.30 0.00 60 V 8.78 4.23 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 0.57 0.00 0.00 0.76 0.00 0.00 61 K 9.63 3.96 0.00 1.98 1.90 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.36 7.81 62 G 8.44 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.79 4.37 0.00 1.84 2.17 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 2.55 2.62 0.00 64 K 8.08 4.90 0.00 1.72 1.60 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.39 7.81 65 Y 9.16 4.65 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.48 5.45 0.00 2.67 2.68 0.00 0.00 6.80 7.98 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 67 G 7.86 4.60 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 0.00 0.00 0.00 68 V 8.46 4.91 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 0.87 0.00 0.00 0.98 0.00 0.00 69 M 9.21 4.93 0.00 2.16 1.96 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 2.67 2.66 0.00 70 S 8.83 4.62 0.00 3.84 3.48 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 71 S 8.59 4.39 0.00 3.98 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 72 F 9.45 4.88 0.00 3.17 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 73 A 7.92 4.10 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 74 Q 7.95 4.14 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 75 L 7.80 4.32 0.00 1.81 1.65 0.93 0.84 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 76 K 9.48 4.28 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 77 D 8.65 4.39 0.00 2.68 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 78 E 8.14 4.02 0.00 1.97 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 2.35 0.00 79 E 7.97 4.05 0.00 2.13 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 2.39 2.39 0.00 80 I 8.27 3.64 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.80 0.00 0.00 81 A 8.09 3.98 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 82 A 8.04 3.94 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 83 V 7.92 3.60 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 0.75 0.00 0.00 0.98 0.00 0.00 84 L 7.82 3.67 0.00 1.11 0.20 0.41 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.44 4.63 0.00 2.96 2.97 0.00 0.00 6.60 8.99 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 86 H 8.13 3.90 0.00 3.12 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.42 3.11 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.68 0.00 0.00 88 A 7.96 4.06 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 89 T 7.24 4.28 4.12 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 0.00 0.00 1.23 0.00 0.00 90 A 7.78 3.54 -0.31 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 91 W 7.44 4.72 0.00 3.42 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.04 3.95 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 0.00 0.00 0.00 93 D 7.98 4.25 0.00 2.86 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 94 A 7.93 3.76 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.59 4.14 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.36 7.81 96 K 7.30 4.18 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 97 V 7.52 3.48 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 0.66 0.00 0.00 1.03 0.00 0.00 98 K 8.75 3.89 0.00 1.73 1.74 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 99 G 8.74 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 0.00 100 F 8.63 4.87 0.00 2.86 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 0.00 101 K 7.50 4.17 0.00 1.35 1.41 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.21 7.81 102 P 0.00 4.01 0.00 1.95 2.01 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 103 F 8.72 4.31 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.44 4.71 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 1.21 0.00 0.00 105 A 8.80 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.03 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 107 E 8.07 4.01 0.00 2.27 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 2.33 2.30 0.00 108 V 7.60 3.71 2.21 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 1.12 0.00 0.00 1.05 0.00 0.00 109 K 8.41 3.91 0.00 1.98 1.96 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 110 K 7.87 4.04 0.00 2.00 2.14 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.51 7.81 111 L 7.59 4.30 0.00 1.81 1.87 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.43 4.46 0.00 1.92 2.13 0.00 3.12 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 113 A 7.65 4.50 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.33 0.00 1.72 1.72 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.32 7.81 115 K 8.38 3.58 0.00 1.77 1.63 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.27 7.81 116 L 5.71 4.72 0.00 1.16 1.35 0.97 0.79 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 0.00 117 T 8.42 4.33 4.24 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 1.18 0.00 0.00 118 P 0.00 4.31 0.00 2.41 2.30 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 119 Q 8.06 4.03 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 120 Q 8.23 4.07 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 121 V 8.01 3.75 2.40 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 1.15 0.00 0.00 1.20 0.00 0.00 122 L 8.18 4.04 0.00 2.05 1.94 1.04 1.10 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 0.00 123 A 7.99 4.05 1.39 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 0.00 0.00 124 E 8.16 3.99 0.00 2.39 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 0.00 2.66 2.58 0.00 125 R 8.17 3.28 0.00 1.77 2.02 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.00 126 K 8.06 4.15 0.00 2.02 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.64 7.81 127 K 7.72 4.10 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 128 L 7.62 4.25 0.00 1.62 1.65 0.65 0.82 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 0.00 129 G 8.21 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 0.00 130 L 7.38 4.35 0.00 1.69 1.56 0.80 0.89 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 0.00 131 K 8.49 4.19 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.