NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3308 0.0000 0.0000 62.4548 32.7643 175.5532 3 H 4.5923 8.4102 115.5673 55.2156 30.3327 172.7184 4 H 5.2086 10.6490 123.7975 55.0209 31.8189 173.2559 5 I 4.8258 9.0953 127.1595 59.4675 40.0746 174.6884 6 V 4.7080 8.4803 126.0149 61.1670 34.1450 174.0999 7 I 4.6447 8.7364 129.2511 59.8188 39.2484 174.8351 8 V 4.6139 8.7876 128.7528 61.4175 32.7761 174.2287 9 E 4.7555 9.2124 130.1593 54.7792 32.2842 175.5871 10 D 4.1997 9.0472 127.2540 56.4771 41.9028 175.9227 11 E 4.3676 8.5444 120.7888 54.2728 30.3991 174.5143 12 P 4.2342 0.0000 0.0000 65.7806 31.4678 178.7139 13 V 3.6082 7.9929 116.3495 66.4470 31.5437 178.1471 14 T 3.9301 8.0785 115.3334 66.3341 68.2696 176.3609 15 Q 3.9762 8.7715 121.8133 59.4226 28.9410 178.7717 16 A 4.0278 8.1444 121.4451 55.0866 18.4224 179.4468 17 R 3.8889 8.1500 117.2704 59.5860 30.0387 178.8345 18 L 4.1192 8.1471 118.5878 58.0047 41.6951 179.0420 19 Q 4.0898 8.2682 119.5007 59.3140 28.9509 178.3872 20 S 4.1256 8.5196 114.3336 61.6715 62.3523 175.5416 21 Y 3.8964 8.0832 122.0853 60.8525 38.6829 178.0737 22 F 4.4161 8.8347 118.9725 60.7338 39.0518 177.9366 23 T 4.0504 8.5437 115.9496 66.7802 68.0359 176.6483 24 Q 4.0864 8.1247 118.7072 57.9330 28.7539 177.3884 25 E 4.3859 7.1900 116.3473 55.5935 29.9972 176.4690 26 G 3.9084 7.6311 106.2375 45.1492 0.0000 173.7371 27 Y 4.6250 7.5542 117.0037 57.2027 39.6647 175.6142 28 T 4.2092 8.5072 120.0764 63.5563 69.5472 173.7447 29 V 4.9724 8.5280 126.4888 61.1632 34.0720 174.7072 30 S 5.0169 9.2072 123.3580 56.8304 66.3109 173.4129 31 V 4.9944 8.2470 114.7370 60.1920 34.7875 174.8445 32 T 4.7235 8.9120 116.9030 61.1869 70.9033 173.9176 33 A 4.8447 8.9835 127.1242 51.6925 20.1799 177.4286 34 S 5.0945 6.8945 111.5729 54.6867 67.6187 175.0326 35 G 3.6748 9.0790 108.7192 47.0400 0.0000 176.2291 36 A 4.0649 7.9608 123.2372 55.0738 18.6267 179.3764 37 G 4.2631 8.0963 105.7748 47.2684 0.0000 175.4872 38 L 3.9224 7.6529 121.4119 58.0579 42.2919 178.9147 39 R 4.0348 7.9511 116.5930 59.2340 29.6986 178.7784 40 E 4.1804 8.1081 118.3792 59.3290 29.5878 179.5001 41 I 3.7679 7.6972 118.1838 63.4804 36.8118 178.3430 *43 Q 4.3292 7.9679 119.8397 54.5026 30.0959 179.3759 44 N 4.8589 7.8707 113.3777 54.3623 39.7394 175.2417 45 Q 4.6585 7.9045 115.3896 53.3466 32.3765 179.4769 46 S 4.6433 8.4785 113.0546 57.7907 64.3293 173.8781 47 V 4.3398 8.1355 123.3442 61.1636 34.1734 174.4939 48 D 4.7135 8.9779 126.4393 56.0886 42.6225 176.3602 49 L 4.9731 7.5696 118.6210 53.7117 45.9312 174.2615 50 I 4.7502 8.8581 126.8180 59.4100 40.1123 174.2085 51 L 4.7732 8.8227 129.9270 53.5239 43.6115 174.9013 52 L 4.8422 8.7022 130.1611 53.1485 44.2492 174.9058 53 D 5.1273 8.7973 128.3435 53.5783 41.1321 176.2660 54 I 3.9974 8.3777 119.6765 61.9213 38.3236 176.6094 55 N 4.5320 8.2034 122.0490 52.1412 37.1502 172.6011 56 L 4.5918 7.4745 119.5872 51.5648 43.4150 174.6260 57 P 4.2841 0.0000 0.0000 64.2728 31.6529 176.3968 58 D 4.6307 9.1422 120.3531 54.7235 38.2195 173.4321 59 E 4.5969 7.9300 117.7654 54.6798 33.5077 174.2976 60 N 4.9214 8.5389 120.4781 51.7719 39.1363 174.8359 61 G 3.7271 8.4377 116.1844 48.2453 0.0000 174.3285 62 L 4.1461 7.7864 118.2483 55.2583 41.2424 178.6832 *64 L 4.2227 8.0686 122.5562 55.5353 43.9739 178.8060 65 T 3.8536 8.0245 115.1296 66.6520 68.3501 176.3686 66 R 3.8544 8.0607 120.1886 59.5118 29.9672 178.3756 67 A 4.2652 7.8292 121.2311 54.5928 18.3904 179.4169 68 L 3.9160 8.0230 117.5114 58.0610 41.5157 179.7847 69 R 4.1742 7.7696 118.5970 58.5306 30.2591 177.8332 70 E 4.1351 8.4905 121.1796 59.6766 29.2153 179.5649 71 R 4.4793 7.4956 119.0583 58.5592 30.3312 178.4271 72 S 4.7967 7.7410 110.5793 58.1008 66.0004 174.4094 73 T 4.4929 8.2790 109.8684 61.3461 68.7579 175.0273 74 V 3.6180 7.6078 121.7605 62.6639 31.7433 176.3969 75 G 3.7977 8.8734 110.7599 46.5315 0.0000 172.5762 76 I 5.1090 9.1719 123.6969 59.4851 41.2832 174.2322 77 I 4.9091 8.6934 128.4619 59.4390 39.7847 175.2077 78 L 4.8084 8.8726 127.4455 54.1052 43.7938 175.9411 79 V 4.9079 8.8194 122.9298 61.5533 33.6542 174.7371 80 T 4.9348 8.9725 117.7716 59.7381 72.7708 173.3809 81 G 4.3127 8.8977 111.7816 45.5610 0.0000 175.7767 82 R 4.3202 8.8172 119.5930 58.1278 29.6168 177.6150 83 S 4.9759 7.3881 112.7162 59.2180 63.2685 179.5351 84 D 4.9561 7.9688 120.8445 54.8364 42.4839 179.1794 85 R 3.8355 8.4015 123.1723 61.8207 29.1663 180.5377 86 I 3.8130 7.8325 119.0001 64.4298 37.7336 177.4300 87 D 4.3562 8.3664 119.4069 57.0664 40.4458 178.5361 88 R 3.4039 7.5501 118.6967 59.1304 29.8987 178.7358 89 I 3.6476 7.4406 117.5233 64.1165 37.9661 178.1839 90 V 3.6626 7.7445 118.3411 65.8611 31.6766 177.8531 91 G 3.7754 8.6295 105.9837 47.9149 0.0000 175.6631 92 L 4.2934 7.9995 120.6059 57.2072 41.8558 180.4406 93 E 4.3086 8.2955 119.8008 55.7942 29.4074 178.0969 *95 G 3.8236 8.0213 105.9019 44.5716 0.0000 173.7843 96 A 4.1402 7.7457 123.1414 52.3282 18.8958 177.9295 97 D 4.5732 8.7804 122.1615 57.4818 41.6877 175.7760 98 D 4.6580 7.7903 115.8614 53.9080 44.7358 173.5417 99 Y 5.5117 7.7467 118.0381 55.7740 41.1977 174.3394 100 V 4.7884 9.2496 113.3217 59.9997 36.3947 174.6269 101 T 5.1332 8.4420 111.7069 59.9509 71.1977 174.2309 102 K 4.5581 8.5640 122.6709 55.1665 33.0583 175.5440 103 P 4.3509 0.0000 0.0000 62.5974 31.9522 176.0679 104 L 4.1115 8.2479 120.5015 54.3415 41.9638 177.3752 105 E 4.2614 8.5506 124.7384 55.2528 29.9393 177.0939 106 L 3.7108 8.0509 125.8042 57.2639 41.6236 179.3230 107 R 3.9292 7.7348 118.3074 59.4803 30.1175 178.0980 108 E 3.9387 8.0398 118.6321 59.0335 29.6635 178.1792 109 L 3.9811 7.8411 120.4837 58.3040 42.0583 179.2428 110 V 3.7191 8.0460 118.2507 65.9224 31.3685 178.2085 111 V 3.6392 7.7435 117.9358 66.0135 31.3044 178.2708 112 R 3.9340 8.1579 117.9408 59.0737 29.7835 179.1985 113 V 3.5754 8.1519 118.2712 65.8731 31.6185 177.9186 114 K 4.0897 8.4366 119.5924 59.8235 32.1560 178.5013 115 N 4.5440 8.5281 116.8927 56.2470 38.4009 177.2486 116 L 4.0496 8.2964 121.9594 58.1672 42.1547 179.0049 117 L 3.9455 8.4015 119.3756 57.4213 41.2734 179.2417 118 W 4.2308 8.2608 127.6690 60.6711 30.7408 178.0172 119 R 3.4489 7.7357 116.7543 58.9571 29.4958 178.7930 120 I 3.8460 7.7097 119.2594 63.1715 37.1866 175.5613 121 D 4.4674 8.0502 123.0727 54.2069 41.2978 175.0618 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 P 0.00 4.33 0.00 2.20 2.09 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 3 H 8.41 4.59 0.00 3.53 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 10.65 5.21 0.00 3.20 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.10 4.83 1.68 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.48 0.00 0.00 6 V 8.48 4.71 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 1.03 0.00 0.00 0.79 0.00 0.00 7 I 8.74 4.64 1.84 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 0.92 0.38 0.90 0.00 0.00 8 V 8.79 4.61 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 0.91 0.00 0.00 0.90 0.00 0.00 9 E 9.21 4.76 0.00 2.05 1.73 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 2.26 2.44 0.00 10 D 9.05 4.20 0.00 2.66 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 11 E 8.54 4.37 0.00 2.11 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 2.26 2.48 0.00 12 P 0.00 4.23 0.00 2.20 2.11 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 13 V 7.99 3.61 2.43 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 1.08 0.00 0.00 0.94 0.00 0.00 14 T 8.08 3.93 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 1.28 0.00 0.00 15 Q 8.77 3.98 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 16 A 8.14 4.03 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 17 R 8.15 3.89 0.00 2.05 2.14 0.00 3.10 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 1.64 1.71 0.00 18 L 8.15 4.12 0.00 1.90 1.88 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.27 4.09 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 20 S 8.52 4.13 0.00 4.04 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 21 Y 8.08 3.90 0.00 3.26 2.90 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 22 F 8.83 4.42 0.00 3.33 3.22 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 23 T 8.54 4.05 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 1.25 0.00 0.00 24 Q 8.12 4.09 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 25 E 7.19 4.39 0.00 2.10 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 0.00 1.96 2.17 0.00 26 G 7.63 3.91 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 0.00 0.00 0.00 27 Y 7.55 4.62 0.00 3.26 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 28 T 8.51 4.21 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 1.09 0.00 0.00 29 V 8.53 4.97 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 0.86 0.00 0.00 1.13 0.00 0.00 30 S 9.21 5.02 0.00 3.79 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 31 V 8.25 4.99 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 0.71 0.00 0.00 0.99 0.00 0.00 32 T 8.91 4.72 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 1.25 0.00 0.00 33 A 8.98 4.84 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 34 S 6.89 5.09 0.00 3.99 3.91 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 35 G 9.08 3.67 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 0.00 0.00 0.00 36 A 7.96 4.06 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 37 G 8.10 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 38 L 7.65 3.92 0.00 1.63 1.85 0.88 0.99 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 39 R 7.95 4.03 0.00 2.00 1.99 0.00 3.21 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 40 E 8.11 4.18 0.00 2.32 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 2.33 2.34 0.00 41 I 7.70 3.77 1.85 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 1.39 0.66 0.90 0.00 0.00 *43 Q 7.97 4.33 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 44 N 7.87 4.86 0.00 2.78 2.88 0.00 0.00 6.65 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.90 4.66 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 46 S 8.48 4.64 0.00 3.99 3.91 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 47 V 8.14 4.34 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 0.76 0.00 0.00 0.80 0.00 0.00 48 D 8.98 4.71 0.00 2.77 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 49 L 7.57 4.97 0.00 1.60 1.32 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.86 4.75 1.82 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 1.05 0.52 0.91 0.00 0.00 51 L 8.82 4.77 0.00 1.51 1.38 0.96 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.70 4.84 0.00 1.74 1.49 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.80 5.13 0.00 2.80 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 54 I 8.38 4.00 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.96 0.00 0.00 55 N 8.20 4.53 0.00 2.71 2.94 0.00 0.00 6.99 7.30 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 56 L 7.47 4.59 0.00 1.71 1.56 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.28 0.00 2.03 2.00 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 58 D 9.14 4.63 0.00 2.82 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 59 E 7.93 4.60 0.00 2.07 1.76 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 2.21 2.36 0.00 60 N 8.54 4.92 0.00 2.65 2.73 0.00 0.00 7.00 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 61 G 8.44 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 62 L 7.79 4.15 0.00 1.84 1.67 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *64 L 8.07 4.22 0.00 1.84 1.89 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.02 3.85 4.46 0.00 0.00 0.00 0.00 0.00 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 66 R 8.06 3.85 0.00 2.00 1.92 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 67 A 7.83 4.27 1.31 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 68 L 8.02 3.92 0.00 1.86 1.71 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.77 4.17 0.00 1.79 1.94 0.00 3.16 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 70 E 8.49 4.14 0.00 2.24 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 0.00 2.33 2.40 0.00 71 R 7.50 4.48 0.00 1.85 1.83 0.00 3.28 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 72 S 7.74 4.80 0.00 3.93 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 73 T 8.28 4.49 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 1.19 0.00 0.00 74 V 7.61 3.62 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 0.63 0.00 0.00 0.91 0.00 0.00 75 G 8.87 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 0.00 0.00 0.00 76 I 9.17 5.11 1.87 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 1.20 0.85 0.91 0.00 0.00 77 I 8.69 4.91 1.85 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 1.22 0.72 0.92 0.00 0.00 78 L 8.87 4.81 0.00 1.71 1.61 0.94 0.46 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 79 V 8.82 4.91 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 1.07 0.00 0.00 0.96 0.00 0.00 80 T 8.97 4.93 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 1.15 0.00 0.00 81 G 8.90 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 82 R 8.82 4.32 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 83 S 7.39 4.98 0.00 3.71 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 84 D 7.97 4.96 0.00 2.91 2.53 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 85 R 8.40 3.84 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 86 I 7.83 3.81 1.84 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 1.61 1.00 0.87 0.00 0.00 87 D 8.37 4.36 0.00 2.77 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 88 R 7.55 3.40 0.00 1.80 1.44 0.00 2.97 0.00 0.00 2.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 89 I 7.44 3.65 1.86 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 1.52 1.61 0.93 0.00 0.00 90 V 7.74 3.66 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 0.85 0.00 0.00 0.96 0.00 0.00 91 G 8.63 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 92 L 8.00 4.29 0.00 1.78 1.80 1.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.30 4.31 0.00 2.07 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 2.44 2.47 0.00 *95 G 8.02 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 0.00 0.00 0.00 96 A 7.75 4.14 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 97 D 8.78 4.57 0.00 2.71 2.74 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 98 D 7.79 4.66 0.00 2.65 2.43 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 99 Y 7.75 5.51 0.00 3.02 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 0.00 100 V 9.25 4.79 2.11 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 0.73 0.00 0.00 0.98 0.00 0.00 101 T 8.44 5.13 4.28 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 1.36 0.00 0.00 102 K 8.56 4.56 0.00 1.68 1.78 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 103 P 0.00 4.35 0.00 2.16 2.05 0.00 3.76 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 1.98 1.98 0.00 104 L 8.25 4.11 0.00 1.63 1.63 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.55 4.26 0.00 1.94 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 2.51 2.32 0.00 106 L 8.05 3.71 0.00 0.80 0.13 0.47 0.55 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 0.00 107 R 7.73 3.93 0.00 1.90 1.92 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 108 E 8.04 3.94 0.00 2.06 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 2.36 2.35 0.00 109 L 7.84 3.98 0.00 1.92 1.80 0.99 1.06 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 0.00 110 V 8.05 3.72 2.19 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 1.20 0.00 0.00 0.75 0.00 0.00 111 V 7.74 3.64 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 1.06 0.00 0.00 1.02 0.00 0.00 112 R 8.16 3.93 0.00 2.08 1.97 0.00 3.15 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 1.63 1.74 0.00 113 V 8.15 3.58 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 0.94 0.00 0.00 1.05 0.00 0.00 114 K 8.44 4.09 0.00 2.10 2.05 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 115 N 8.53 4.54 0.00 2.84 2.98 0.00 0.00 6.70 7.06 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 0.00 116 L 8.30 4.05 0.00 1.85 1.82 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.40 3.95 0.00 1.96 1.66 1.05 0.79 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 0.00 118 W 8.26 4.23 0.00 3.34 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 0.00 119 R 7.74 3.45 0.00 2.01 1.82 0.00 3.32 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.90 0.00 120 I 7.71 3.85 1.94 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 1.36 0.49 0.86 0.00 0.00 121 D 8.05 4.47 0.00 2.58 2.53 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 * Residues marked with a * may have inaccurate shift predictions.