NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3297 8.1693 120.6293 54.6999 44.1363 176.9282 5 T 4.1429 7.6187 109.3252 59.3858 70.2173 172.0561 6 K 4.9211 8.6545 122.7093 55.0700 35.8822 176.3909 7 V 4.1479 7.6901 122.8399 60.4629 33.7821 174.8181 8 K 3.9044 8.7164 126.9093 57.8683 31.9349 174.8805 9 L 4.7114 8.8557 126.1971 55.7853 43.7089 175.7633 10 C 4.6680 7.4733 110.4181 57.7181 33.0585 171.8779 11 Q 4.6803 8.5557 117.9585 54.6016 29.4620 177.0946 12 L 3.6602 8.8698 124.9861 58.3501 42.1143 178.3660 13 D 4.7928 7.8968 114.1056 53.9166 39.0618 176.3539 14 D 4.5675 8.0448 120.2392 55.2115 41.6158 176.0094 15 L 4.6402 7.3606 119.2661 52.2691 44.3508 173.1595 *17 P 3.9125 0.0000 0.0000 64.1829 32.1029 177.1684 18 F 4.0338 8.6600 120.4108 57.9351 37.1760 174.7045 19 I 4.6371 7.4429 121.3724 58.9382 38.8608 175.7314 20 G 3.1028 9.2718 112.8654 45.6605 0.0000 172.0120 21 A 4.8714 8.3981 126.4429 50.0208 21.6097 175.6942 22 T 4.5718 8.4263 112.9743 61.8020 70.5268 174.1021 23 V 4.3980 8.3932 115.2169 60.6439 37.1041 172.6319 24 L 4.9000 8.1970 121.0169 53.0227 44.4240 176.6740 25 I 3.8397 7.8111 123.6294 59.8722 38.9628 175.7925 26 E 3.9734 9.7867 128.2068 57.2641 26.9188 175.7917 27 G 4.0249 8.1857 106.3091 45.2682 0.0000 173.4508 28 E 4.3616 7.8298 119.1522 54.9679 30.8933 175.3730 29 R 4.1346 8.4411 123.2294 56.3389 31.1987 175.1939 30 V 4.6984 8.5369 126.1169 60.8174 35.2614 173.7949 31 A 4.9092 9.2633 128.3295 50.1634 21.4118 175.2429 32 L 5.0448 8.7481 123.4810 53.5073 44.1830 176.1106 33 F 5.1133 9.4417 121.6034 55.9554 42.6774 173.4558 34 Y 5.0100 8.8459 126.5553 56.9998 40.0235 174.1508 35 I 3.7774 9.0316 129.2681 59.2534 38.5748 174.9373 36 P 3.9601 0.0000 0.0000 65.7023 31.2722 177.9866 37 D 4.5243 8.0069 115.7649 56.6331 41.0796 177.5169 38 S 4.6757 7.9816 113.6292 59.5909 65.3300 173.4581 39 G 4.1267 8.1301 107.3243 44.2212 0.0000 173.5251 40 V 5.0330 8.2941 124.1346 61.2606 34.1417 174.4883 41 Y 4.9070 9.4622 125.2020 56.1594 40.8444 174.4169 42 A 5.5163 8.8362 124.2247 50.4982 22.2225 175.5243 43 V 5.2328 8.9236 114.1445 59.3288 36.8499 174.7934 44 Q 4.7075 8.9844 121.3739 57.0692 28.5817 176.3579 45 D 4.5990 9.2923 122.2003 56.6109 42.6967 175.8711 46 W 4.6441 8.4334 129.1514 57.1701 31.6123 175.1362 47 D 4.4406 8.2256 128.2482 52.6772 40.7418 175.2279 48 P 4.3998 0.0000 0.0000 64.8319 31.4484 176.2952 49 I 4.2918 9.6586 119.7882 61.3320 37.6295 173.5053 50 G 3.7358 9.9854 120.8095 44.0529 0.0000 171.3862 51 K 2.7433 6.9234 119.3236 54.9742 29.6195 174.4868 52 A 3.4717 5.8000 118.5280 51.0719 21.9219 175.8662 53 Y 4.7126 8.4811 119.7352 58.6130 37.7291 177.0799 54 V 4.4664 8.2667 125.8535 60.4654 32.5994 174.9014 *56 S 4.1525 8.0238 121.7207 58.7408 65.0574 176.2513 57 R 4.5429 8.0999 118.4389 56.0631 30.2236 176.5608 58 G 4.3517 7.8151 105.6747 45.1242 0.0000 173.8793 59 I 4.1246 8.2998 124.0253 61.0193 38.2375 175.4292 60 V 4.3393 8.4608 127.3364 62.6006 32.5339 174.8637 61 G 4.1165 8.3231 112.6723 45.8912 0.0000 171.9781 62 D 4.8945 8.4920 119.5842 51.5696 41.0352 176.2135 63 I 4.3308 7.5813 121.9805 60.4447 40.1143 175.3469 64 N 4.1013 10.0162 125.1528 53.5836 37.8412 174.8519 65 G 3.8451 9.0031 109.7828 45.1529 0.0000 175.6560 66 E 3.6649 9.2188 123.8930 55.7239 30.6480 175.8752 *68 C 4.6600 8.2280 115.3697 59.8159 30.3461 173.0668 69 V 4.7451 8.6247 119.2537 59.9246 33.6955 174.7489 70 A 4.7289 8.7157 127.3513 50.8388 19.8582 176.5986 71 S 4.5230 9.3445 119.1487 58.0431 63.4091 173.1727 72 P 4.5912 0.0000 0.0000 63.5001 31.3530 176.2923 73 L 3.9640 7.0837 118.7340 55.5289 42.3269 175.6816 74 Y 4.5268 7.9894 115.1749 58.0437 38.7541 176.3177 75 K 4.2332 8.2237 114.8751 55.9757 30.4162 175.2420 76 Q 4.0696 7.5887 117.7648 56.5323 30.0782 174.9606 77 H 5.1915 9.3008 119.6849 54.4131 31.1089 174.0364 78 F 5.2604 9.0132 121.8985 55.2657 42.1366 174.6462 79 S 4.3786 9.1631 119.9519 58.4964 62.4817 175.3067 80 L 4.0155 8.6226 127.5183 57.4609 41.8064 178.6155 81 K 4.3401 7.9685 119.2670 59.0262 32.5228 177.6538 82 S 4.4105 7.9908 111.9653 58.9191 63.9104 175.3042 83 G 4.1151 8.6215 109.0668 44.5357 0.0000 172.9785 84 Q 4.3701 7.6159 120.8907 56.9264 30.0790 175.0925 85 C 4.4730 8.6750 126.5473 58.7992 31.8598 173.6208 86 L 4.0976 8.9744 126.2422 56.3801 41.9360 177.8104 87 E 4.5102 7.5233 116.0845 55.5366 29.9100 175.9965 88 D 4.5310 7.4856 114.8591 53.2478 42.3375 175.8520 89 E 3.9429 8.7384 122.6159 58.0497 30.0762 178.3925 90 A 4.1520 7.7575 120.8097 54.1860 19.1146 177.1580 91 H 5.0650 8.4888 113.8057 54.8519 30.9780 174.2192 92 C 5.3741 8.5724 121.0528 58.3008 34.5263 173.0303 93 L 4.7240 8.8033 126.2509 53.5422 42.8520 176.6665 94 K 4.1987 9.3296 124.5072 56.6686 33.2874 175.7792 95 T 5.4859 7.9430 115.1877 58.8196 71.9320 173.0401 96 W 4.9783 8.7845 121.4197 54.7385 32.8532 175.4039 97 R 4.2009 8.8678 123.7722 56.4435 30.5886 175.7598 98 V 5.1254 8.4215 123.2004 61.3744 34.9699 174.3224 99 T 4.7597 8.7661 115.6602 59.9756 72.8646 173.0758 100 V 5.0100 8.0523 121.1011 61.7172 33.3903 174.2171 101 D 4.2266 9.1233 130.8781 56.3516 39.9437 177.5559 102 D 4.3831 8.4378 125.1593 56.1287 41.7982 175.9907 103 N 5.0148 8.2462 114.7429 53.2612 42.3308 173.4654 104 Q 4.6089 8.0342 121.3242 54.8389 30.8168 174.1538 105 V 4.6725 8.7814 127.6707 61.8553 33.3663 174.4902 106 C 5.5259 9.3912 124.9269 58.0449 32.8358 172.2232 107 Y 5.2971 8.1255 117.3531 55.3419 40.7929 174.5583 108 L 4.8669 8.8630 121.8035 54.1742 42.6887 176.0806 109 A 5.0945 8.6482 128.6506 50.3920 21.6063 175.4411 110 K 4.6858 8.2995 115.7743 56.4745 34.3786 173.8990 111 E 4.8672 8.6868 125.2977 60.2090 34.1582 176.3745 112 L 4.0530 8.9217 125.8390 56.2309 41.2047 174.0253 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 4 L 8.17 4.33 0.00 1.65 1.80 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.62 4.14 4.19 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 1.32 0.00 0.00 6 K 8.65 4.92 0.00 1.63 1.73 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.31 7.81 7 V 7.69 4.15 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 0.00 0.00 0.88 0.00 0.00 0.42 0.00 0.00 8 K 8.72 3.90 0.00 1.64 1.74 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 9 L 8.86 4.71 0.00 1.73 1.79 1.00 0.85 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 10 C 7.47 4.67 0.00 2.94 2.94 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 11 Q 8.56 4.68 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 12 L 8.87 3.66 0.00 1.45 1.49 0.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.90 4.79 0.00 2.80 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 14 D 8.04 4.57 0.00 2.86 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 15 L 7.36 4.64 0.00 1.63 1.68 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *17 P 0.00 3.91 0.00 2.21 1.61 0.00 3.79 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 2.22 0.00 18 F 8.66 4.03 0.00 3.28 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 19 I 7.44 4.64 1.97 0.00 0.00 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 1.37 0.96 0.96 0.00 0.00 20 G 9.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.40 4.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.43 4.57 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 1.20 0.00 0.00 23 V 8.39 4.40 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 0.51 0.00 0.00 0.72 0.00 0.00 24 L 8.20 4.90 0.00 1.33 1.40 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.81 3.84 0.97 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.36 -0.14 0.00 0.00 26 E 9.79 3.97 0.00 2.03 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 2.32 2.33 0.00 27 G 8.19 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 28 E 7.83 4.36 0.00 2.10 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 2.34 0.00 29 R 8.44 4.13 0.00 1.89 1.98 0.00 2.21 0.00 0.00 2.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 30 V 8.54 4.70 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.37 0.00 0.00 31 A 9.26 4.91 1.21 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 0.00 0.00 32 L 8.75 5.04 0.00 1.53 1.56 0.87 0.83 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 33 F 9.44 5.11 0.00 3.19 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 34 Y 8.85 5.01 0.00 2.98 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 35 I 9.03 3.78 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 1.46 1.19 0.98 0.00 0.00 36 P 0.00 3.96 0.00 1.85 1.95 0.00 2.65 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 37 D 8.01 4.52 0.00 2.69 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 38 S 7.98 4.68 0.00 4.15 4.35 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 39 G 8.13 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.29 5.03 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 0.99 0.00 0.00 0.99 0.00 0.00 41 Y 9.46 4.91 0.00 3.16 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 42 A 8.84 5.52 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.92 5.23 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 1.01 0.00 0.00 1.24 0.00 0.00 44 Q 8.98 4.71 0.00 2.37 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 45 D 9.29 4.60 0.00 2.88 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 46 W 8.43 4.64 0.00 3.49 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 47 D 8.23 4.44 0.00 2.60 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.40 0.00 2.38 2.33 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 49 I 9.66 4.29 2.11 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 0.82 0.58 0.87 0.00 0.00 50 G 9.99 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 51 K 6.92 2.74 0.00 1.82 1.84 0.00 2.05 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.56 7.81 52 A 5.80 3.47 0.96 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 0.00 0.00 53 Y 8.48 4.71 0.00 3.12 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 54 V 8.27 4.47 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 0.60 0.00 0.00 0.91 0.00 0.00 *56 S 8.02 4.15 0.00 3.88 4.32 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 57 R 8.10 4.54 0.00 1.98 2.02 0.00 3.33 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 58 G 7.82 4.35 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 0.00 59 I 8.30 4.12 1.88 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 1.25 0.82 0.90 0.00 0.00 60 V 8.46 4.34 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 0.74 0.00 0.00 0.94 0.00 0.00 61 G 8.32 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 0.00 0.00 0.00 0.00 62 D 8.49 4.89 0.00 2.71 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 63 I 7.58 4.33 1.79 0.00 0.00 0.57 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 0.55 0.82 0.00 0.00 64 N 10.02 4.10 0.00 2.88 2.87 0.00 0.00 6.55 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 65 G 9.00 3.85 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 0.00 66 E 9.22 3.66 0.00 2.15 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 2.36 2.42 0.00 *68 C 8.23 4.66 0.00 2.94 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 69 V 8.62 4.75 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 0.75 0.00 0.00 0.98 0.00 0.00 70 A 8.72 4.73 1.21 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 0.00 0.00 71 S 9.34 4.52 0.00 4.13 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 72 P 0.00 4.59 0.00 2.19 2.30 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 73 L 7.08 3.96 0.00 1.38 0.90 0.73 0.64 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 74 Y 7.99 4.53 0.00 3.17 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 75 K 8.22 4.23 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.13 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 76 Q 7.59 4.07 0.00 1.91 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 77 H 9.30 5.19 0.00 3.09 3.13 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.01 5.26 0.00 2.91 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 79 S 9.16 4.38 0.00 3.89 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 80 L 8.62 4.02 0.00 1.27 1.51 0.65 0.55 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 81 K 7.97 4.34 0.00 1.68 1.84 0.00 1.99 0.00 0.00 2.15 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.58 7.81 82 S 7.99 4.41 0.00 4.08 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 83 G 8.62 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 0.00 0.00 0.00 0.00 84 Q 7.62 4.37 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 85 C 8.67 4.47 0.00 2.81 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 86 L 8.97 4.10 0.00 1.45 1.65 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.52 4.51 0.00 1.82 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 2.19 2.28 0.00 88 D 7.49 4.53 0.00 2.57 2.48 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 89 E 8.74 3.94 0.00 1.98 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 2.32 0.00 90 A 7.76 4.15 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 91 H 8.49 5.06 0.00 3.17 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.57 5.37 0.00 3.01 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 93 L 8.80 4.72 0.00 1.60 1.61 0.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.33 4.20 0.00 1.75 1.61 0.00 1.38 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.92 7.81 95 T 7.94 5.49 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 96 W 8.78 4.98 0.00 3.26 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 97 R 8.87 4.20 0.00 1.87 1.92 0.00 3.09 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 98 V 8.42 5.13 2.26 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 0.90 0.00 0.00 1.09 0.00 0.00 99 T 8.77 4.76 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 1.20 0.00 0.00 100 V 8.05 5.01 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 0.93 0.00 0.00 0.88 0.00 0.00 101 D 9.12 4.23 0.00 2.68 2.44 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 0.00 102 D 8.44 4.38 0.00 2.62 2.48 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 0.00 103 N 8.25 5.01 0.00 2.54 2.66 0.00 0.00 6.40 7.74 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 0.00 104 Q 8.03 4.61 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 105 V 8.78 4.67 2.18 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 0.97 0.00 0.00 0.85 0.00 0.00 106 C 9.39 5.53 0.00 2.77 2.66 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 0.00 107 Y 8.13 5.30 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.86 4.87 0.00 1.64 1.68 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.65 5.09 1.30 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 0.00 0.00 110 K 8.30 4.69 0.00 1.74 1.58 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.47 7.81 111 E 8.69 4.87 0.00 1.92 1.65 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 2.06 2.14 0.00 112 L 8.92 4.05 0.00 1.83 1.77 0.93 0.76 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 * Residues marked with a * may have inaccurate shift predictions.