NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5793 8.4201 119.2005 52.9933 40.1237 173.6817 3 A 4.0606 8.1671 124.2088 51.1727 19.0623 176.1829 4 S 4.4457 9.0750 116.9327 58.7622 64.6142 172.5818 5 L 4.6793 8.0584 122.5325 54.3106 42.6748 177.1674 6 T 4.2111 8.9072 113.3512 60.6581 70.2795 173.8549 7 P 4.4652 0.0000 0.0000 65.9283 31.1859 178.5777 8 D 4.4257 8.1142 116.9918 57.6418 40.4079 178.7773 9 Q 4.0360 7.8051 118.2219 59.2091 28.7306 179.3829 10 V 3.7886 8.0841 113.3194 63.9914 31.5289 178.3660 11 S 4.0938 8.4115 113.2702 61.5645 62.0851 176.4488 12 K 3.9869 7.9888 120.5072 59.4767 31.6914 179.4083 13 K 4.0468 7.7350 117.5304 59.4749 31.9883 179.1838 14 L 3.6574 8.0874 120.6738 57.4958 42.0372 178.6161 15 K 3.9247 8.2826 120.0606 59.7342 32.0560 178.2886 16 Q 3.9738 8.2980 119.7157 59.1710 28.8553 177.9682 17 F 3.8638 8.4414 121.8114 61.4527 39.2643 177.0979 18 F 4.5625 8.2084 117.1558 60.6970 38.4895 177.5880 19 S 4.3091 7.6895 112.2744 61.1670 62.3246 175.7472 20 D 4.3567 8.1070 120.4125 56.6515 40.5792 176.9013 21 H 4.7367 8.0108 113.7356 55.1481 31.0177 174.0912 22 L 4.6423 7.8935 119.9533 50.9989 41.9732 174.7805 23 P 4.1959 0.0000 0.0000 65.5219 31.2192 177.5251 24 I 3.7969 7.7541 116.3830 64.0061 38.0921 177.5752 25 S 4.1509 8.2452 115.5412 61.0890 62.4135 176.6400 26 Q 3.9823 7.9451 121.3154 58.5704 28.4057 178.1588 27 F 4.0852 7.8973 119.3453 59.0717 40.1918 175.3091 *29 G 3.8040 7.8957 101.3135 45.1721 0.0000 173.1810 30 L 4.4611 7.9744 123.1094 54.7645 42.6675 176.0096 31 E 4.8809 9.1924 124.6792 54.5366 34.5260 174.7130 32 I 4.3287 8.4300 123.1453 61.3221 37.1880 175.6407 33 E 4.3046 9.3854 130.2775 59.0118 30.0509 176.7335 34 S 4.7954 7.8867 111.2829 57.9954 66.4786 173.3132 35 Y 5.7012 8.6315 120.9825 56.9923 41.3020 174.5278 36 D 4.6833 8.5816 125.3641 52.8119 40.0590 175.3919 37 G 3.9331 5.9444 108.9814 44.8272 0.0000 174.3407 38 D 4.9485 8.4021 117.9516 54.7434 44.1610 176.8751 39 T 5.1490 7.9397 114.1815 61.6312 73.0799 172.5444 40 L 5.3260 9.2139 128.4989 53.4256 44.6816 174.8122 41 I 4.9832 8.9203 127.3271 59.6508 39.7598 174.6263 42 L 5.3351 8.9465 127.5475 53.3535 44.3657 175.7106 43 T 5.7509 9.2525 111.0961 59.2487 72.7937 172.5055 44 A 5.1245 8.1574 122.7421 49.9867 22.6680 174.4473 45 P 4.6463 0.0000 0.0000 62.2098 32.4953 176.5065 46 L 4.0740 8.4388 121.0359 58.1181 42.4446 178.5313 47 E 3.9088 8.3383 118.2067 58.8988 29.4340 176.1285 48 P 4.3329 0.0000 0.0000 64.1816 31.7919 176.5245 49 N 5.1074 8.2149 115.6391 52.0675 38.9921 174.2540 50 I 4.7295 7.6699 117.9593 59.7233 39.9097 174.1414 51 N 5.2472 8.2948 121.4453 51.0243 39.5500 174.4888 52 D 4.3679 8.6916 115.9984 56.0032 38.7937 176.8220 53 K 4.3575 8.8328 119.3583 55.8000 32.1520 176.8240 54 Q 3.5098 7.9474 116.6164 57.0010 26.7275 172.7420 55 T 4.8275 7.3470 105.0775 59.1710 72.6312 172.5239 56 A 4.6864 8.6938 124.3811 51.7103 18.9228 177.6685 57 F 4.3842 9.6087 126.3755 58.1551 40.1945 176.6590 58 G 3.5714 8.7138 112.1788 47.7201 0.0000 176.1615 59 G 3.1140 5.3800 107.3034 47.5090 0.0000 175.9074 60 S 4.2416 7.6522 116.9394 61.0986 63.0181 176.4099 61 L 3.9927 7.9299 121.8285 57.9545 41.5209 178.8501 62 Y 3.7538 8.1840 119.3776 60.8099 38.5146 177.8393 63 N 4.3047 8.3231 116.0005 56.3739 38.7128 176.9292 64 A 3.9760 7.9094 120.9262 54.9771 18.7769 179.3048 65 A 3.8695 7.5887 119.5184 54.7671 18.3732 180.7941 66 V 2.9091 6.9481 114.2851 62.3601 30.2982 177.8765 *68 A 4.3108 7.9167 123.5889 53.2071 20.2834 179.7574 69 C 4.3249 8.0515 112.1029 62.5808 28.6648 175.2625 70 W 3.2791 8.4317 129.7195 60.2094 30.5632 178.7641 71 G 3.8500 7.8278 105.3580 46.5124 0.0000 175.0638 *73 V 3.7235 7.9183 121.0386 62.5912 33.2915 176.9007 74 Y 3.6823 7.4638 121.6659 59.9054 38.3703 178.0077 75 L 3.7181 8.1586 120.1446 57.7452 41.2787 179.7774 76 K 4.0682 7.8007 117.8134 59.6182 32.1035 179.3997 77 T 3.8402 7.9034 115.9743 66.7807 68.3428 176.7384 78 Q 3.7142 7.7136 119.9712 58.9224 28.7938 178.5350 79 E 3.9573 8.3655 119.9693 58.9545 29.2439 178.0769 80 E 4.1794 7.2748 115.8081 54.7544 29.9832 175.1067 81 N 4.0669 7.9862 113.7712 54.7278 36.8023 174.1622 82 I 4.0271 7.4407 117.9422 60.0243 38.2506 175.6449 83 A 4.4639 8.4617 128.8716 51.2041 19.4693 175.7361 84 C 4.9615 8.2151 116.3833 57.7121 32.7561 172.9169 85 N 5.0834 9.5700 117.9797 52.0580 40.2511 174.1066 86 Q 5.1500 8.7850 122.6233 54.5541 32.3225 174.2586 87 V 4.8752 8.9362 118.8663 59.5303 35.8753 175.2528 88 V 4.0725 8.7565 122.8810 63.2892 31.8270 175.6193 89 T 4.5939 8.2832 121.5838 64.3144 71.4020 174.1734 90 E 4.6720 7.6939 119.9557 55.0161 33.3121 174.6152 91 G 4.7373 8.5577 112.8372 44.8375 0.0000 171.2160 92 N 5.1305 8.5337 123.4982 50.8015 43.1404 173.4058 *94 K 4.1602 8.2785 119.3821 56.7848 33.6648 173.7551 95 Y 4.6462 8.7136 125.0557 57.2254 38.3944 174.8924 96 I 4.3829 8.9868 125.6799 62.5674 38.8207 176.1699 97 A 4.6739 7.5884 121.1584 49.5352 22.0832 173.7821 98 P 4.1686 0.0000 0.0000 62.8022 31.9106 175.9018 99 V 4.2016 7.9933 119.4487 61.6620 32.7577 175.7255 100 Y 4.7942 8.6588 123.8913 58.5685 39.9771 175.5231 101 G 4.1323 7.4262 109.4910 44.6971 0.0000 174.7648 102 R 4.1319 8.9891 126.1795 56.7251 30.7867 174.8871 103 I 4.3958 8.6050 126.8493 60.1484 39.0598 174.8416 104 R 5.1370 8.6628 125.2719 54.3673 33.5217 174.0103 105 A 4.9430 9.0980 126.6804 50.1284 21.7470 174.9977 106 I 4.9109 8.7175 123.4135 59.5989 40.3143 174.4207 107 C 5.2009 9.0178 126.2256 58.0288 34.8832 172.4150 108 H 5.5006 8.7428 121.8942 53.8461 30.6617 174.6367 109 A 4.1676 8.7736 123.8130 51.4891 18.7208 176.2388 110 P 4.3366 0.0000 0.0000 61.9888 32.3117 176.4829 111 D 4.4515 8.5495 119.1040 55.0811 42.6195 178.1336 112 E 3.9749 8.8508 121.9639 59.5824 29.4022 179.5252 113 E 3.9231 8.0856 118.7013 59.2925 29.8578 178.2842 114 E 3.9195 8.1906 118.1005 59.5740 29.4572 179.2925 115 L 3.7390 8.1887 118.7490 57.6368 41.7109 179.3791 116 A 4.1564 8.0816 120.5699 55.5217 18.2922 179.4980 117 N 4.3662 8.4849 115.1772 56.2187 38.5802 177.5133 118 F 4.1998 8.3327 122.0956 61.5329 39.4627 177.3269 119 F 4.3336 8.1452 117.6751 60.4543 38.6076 177.2589 120 D 4.3633 8.4673 117.9186 57.6246 41.0295 177.7977 121 H 4.1015 8.5786 119.0300 59.0729 29.8268 177.0124 122 F 4.3288 8.2536 123.8523 60.7184 39.0034 176.4365 123 E 3.7339 8.2232 117.6920 59.5018 29.5336 178.6410 124 R 3.9926 7.9546 116.9345 58.6389 30.3465 178.4344 125 K 4.3644 8.1526 115.2745 55.0797 33.3993 177.5162 126 G 3.5562 9.0276 108.1079 45.1662 0.0000 172.8883 127 K 5.7187 7.4882 116.7436 56.5386 35.9027 174.4600 128 A 4.6411 8.3642 120.9561 51.4705 22.4558 175.2478 129 R 5.3516 8.7158 117.6060 54.7313 33.8571 174.9316 130 I 4.5458 8.7888 120.9007 59.7438 41.8315 173.6694 131 S 5.3698 8.4809 122.1325 57.0015 65.9959 173.0471 132 L 4.8651 8.9960 121.2943 53.6069 46.6022 174.7891 133 E 5.3447 8.7989 118.5431 54.8347 32.6405 175.4471 134 A 5.1561 9.1067 122.1645 50.5034 23.2781 174.9216 135 A 5.0124 8.8334 119.7800 50.2918 23.3630 175.2528 136 I 5.0536 7.9381 119.5614 58.6667 40.7325 174.5720 137 Y 4.9633 8.5632 122.5951 56.3252 41.4317 176.4737 138 N 4.4465 8.9944 118.3652 55.8165 39.6162 176.0547 139 D 4.3606 8.2547 118.1789 54.1996 41.5960 176.7304 140 A 4.1601 8.7022 129.8510 55.3693 18.6133 178.0400 141 C 4.2422 8.1716 112.1819 61.4775 28.5291 174.2604 142 V 3.5162 6.8328 118.2314 62.2080 31.6054 174.6999 *144 K 4.1691 8.0627 121.2342 56.2551 33.3550 175.4403 145 I 4.4086 8.8823 120.2310 60.5828 37.4091 175.6644 146 E 4.8093 8.5549 122.4625 53.5910 32.6706 174.5795 147 P 4.3813 0.0000 0.0000 65.8092 31.4798 177.6619 148 E 4.0623 8.0869 113.8737 57.9122 29.9069 176.3856 149 T 4.4139 7.3137 111.9871 59.4606 68.2874 172.7133 150 K 3.8453 8.8205 127.0470 56.2243 32.4143 175.4249 151 P 4.2000 0.0000 0.0000 62.2510 32.4649 176.4383 152 S 4.3571 8.5638 115.6384 60.8941 64.1083 174.7423 153 V 4.7776 7.4025 117.9464 60.9252 34.9537 174.4012 154 K 5.0308 8.5589 125.4887 54.6474 35.6084 175.4626 155 F 5.0391 8.9212 124.4754 56.7108 43.2667 172.7913 156 N 5.1535 8.4738 123.0702 51.2286 41.5780 173.7774 157 G 4.3307 8.9254 109.8271 44.2924 0.0000 171.0885 158 Q 5.1822 8.8028 122.9017 54.2649 32.4694 173.8743 159 Y 5.1884 9.1065 121.4563 56.2432 42.9403 173.9874 160 A 5.4647 9.3239 123.1892 50.2014 22.7636 175.0865 161 I 5.0153 8.8649 114.5274 59.1789 40.7371 174.6260 162 L 5.4209 9.1809 123.7538 52.5816 45.7664 175.8021 163 K 4.3300 8.9804 125.0957 57.1799 32.7898 176.2265 164 N 4.6531 8.7917 122.6682 53.0113 37.4564 174.2861 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 N 8.42 4.58 0.00 2.66 2.77 0.00 0.00 6.98 7.08 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 3 A 8.17 4.06 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 4 S 9.07 4.45 0.00 3.74 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 5 L 8.06 4.68 0.00 1.55 1.59 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.91 4.21 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 7 P 0.00 4.47 0.00 2.08 1.72 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 8 D 8.11 4.43 0.00 2.71 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 9 Q 7.81 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 10 V 8.08 3.79 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 0.71 0.00 0.00 1.20 0.00 0.00 11 S 8.41 4.09 0.00 4.21 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 12 K 7.99 3.99 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.70 7.81 13 K 7.73 4.05 0.00 2.12 2.07 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.66 7.81 14 L 8.09 3.66 0.00 1.76 1.70 -0.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.28 3.92 0.00 1.91 2.04 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 16 Q 8.30 3.97 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 17 F 8.44 3.86 0.00 3.14 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 18 F 8.21 4.56 0.00 3.28 2.93 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 19 S 7.69 4.31 0.00 4.00 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 20 D 8.11 4.36 0.00 2.12 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 0.00 0.00 0.00 0.00 21 H 8.01 4.74 0.00 2.20 2.85 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.89 4.64 0.00 1.85 1.52 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.20 0.00 2.14 2.11 0.00 3.57 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 2.09 2.13 0.00 24 I 7.75 3.80 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.69 0.87 0.00 0.00 25 S 8.25 4.15 0.00 3.70 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 26 Q 7.95 3.98 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.12 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 27 F 7.90 4.09 0.00 3.02 3.25 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 *29 G 7.90 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 30 L 7.97 4.46 0.00 1.50 1.34 0.78 0.02 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 31 E 9.19 4.88 0.00 1.90 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 2.23 2.47 0.00 32 I 8.43 4.33 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 1.37 0.67 1.01 0.00 0.00 33 E 9.39 4.30 0.00 1.99 2.16 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 2.35 2.28 0.00 34 S 7.89 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 35 Y 8.63 5.70 0.00 3.01 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 36 D 8.58 4.68 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 37 G 5.94 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 38 D 8.40 4.95 0.00 2.67 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 39 T 7.94 5.15 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 1.21 0.00 0.00 40 L 9.21 5.33 0.00 1.80 1.55 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.92 4.98 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 1.00 0.00 0.00 42 L 8.95 5.34 0.00 1.56 1.54 1.00 0.89 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 43 T 9.25 5.75 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 1.27 0.00 0.00 44 A 8.16 5.12 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 45 P 0.00 4.65 0.00 2.15 2.04 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 46 L 8.44 4.07 0.00 1.83 1.71 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.34 3.91 0.00 1.94 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 2.29 2.28 0.00 48 P 0.00 4.33 0.00 1.56 1.12 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 49 N 8.21 5.11 0.00 2.92 2.85 0.00 0.00 6.81 7.65 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 50 I 7.67 4.73 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.92 0.00 0.00 51 N 8.29 5.25 0.00 2.99 3.05 0.00 0.00 7.11 7.52 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 52 D 8.69 4.37 0.00 2.79 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 53 K 8.83 4.36 0.00 1.92 1.88 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.40 7.81 54 Q 7.95 3.51 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 55 T 7.35 4.83 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 56 A 8.69 4.69 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 57 F 9.61 4.38 0.00 3.13 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 58 G 8.71 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 5.38 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 0.00 0.00 0.00 60 S 7.65 4.24 0.00 4.14 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 61 L 7.93 3.99 0.00 2.03 1.75 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.18 3.75 0.00 3.20 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 63 N 8.32 4.30 0.00 2.86 2.84 0.00 0.00 7.07 8.21 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 64 A 7.91 3.98 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 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0.00 0.00 0.00 0.00 0.00 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 C 8.22 4.96 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.57 5.08 0.00 2.77 2.88 0.00 0.00 6.77 6.85 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 86 Q 8.78 5.15 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 87 V 8.94 4.88 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 0.83 0.00 0.00 1.11 0.00 0.00 88 V 8.76 4.07 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 0.56 0.00 0.00 1.10 0.00 0.00 89 T 8.28 4.59 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 1.17 0.00 0.00 90 E 7.69 4.67 0.00 1.95 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 2.19 2.27 0.00 91 G 8.56 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 1.91 1.87 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 111 D 8.55 4.45 0.00 2.65 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 0.00 112 E 8.85 3.97 0.00 2.02 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 0.00 2.42 2.39 0.00 113 E 8.09 3.92 0.00 2.00 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 2.39 2.35 0.00 114 E 8.19 3.92 0.00 2.12 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 2.37 2.32 0.00 115 L 8.19 3.74 0.00 1.84 1.80 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.08 4.16 1.46 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 0.00 0.00 0.00 117 N 8.48 4.37 0.00 2.77 2.92 0.00 0.00 6.72 9.00 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2.28 0.00 134 A 9.11 5.16 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 0.00 135 A 8.83 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.94 5.05 1.76 0.00 0.00 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 1.31 1.53 0.92 0.00 0.00 137 Y 8.56 4.96 0.00 2.87 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 0.00 138 N 8.99 4.45 0.00 2.83 2.99 0.00 0.00 6.88 8.06 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 0.00 139 D 8.25 4.36 0.00 2.80 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 0.00 140 A 8.70 4.16 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 0.00 141 C 8.17 4.24 0.00 3.05 2.97 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 0.00 142 V 6.83 3.52 1.75 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 0.04 0.00 0.00 0.68 0.00 0.00 *144 K 8.06 4.17 0.00 1.98 1.99 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.51 7.81 145 I 8.88 4.41 2.04 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 1.34 1.74 1.06 0.00 0.00 146 E 8.55 4.81 0.00 2.42 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 2.13 2.27 0.00 147 P 0.00 4.38 0.00 2.08 2.19 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 148 E 8.09 4.06 0.00 2.08 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 2.26 2.23 0.00 149 T 7.31 4.41 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 1.12 0.00 0.00 150 K 8.82 3.85 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 151 P 0.00 4.20 0.00 1.95 1.12 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 152 S 8.56 4.36 0.00 3.85 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 0.00 153 V 7.40 4.78 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 0.83 0.00 0.00 0.89 0.00 0.00 154 K 8.56 5.03 0.00 1.57 1.60 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.24 7.81 155 F 8.92 5.04 0.00 2.92 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 0.00 156 N 8.47 5.15 0.00 2.33 2.43 0.00 0.00 6.38 7.75 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 0.00 157 G 8.93 4.33 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 0.00 0.00 0.00 158 Q 8.80 5.18 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 159 Y 9.11 5.19 0.00 2.85 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 0.00 160 A 9.32 5.46 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 0.00 161 I 8.86 5.02 1.53 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.91 0.00 0.00 162 L 9.18 5.42 0.00 1.62 1.65 1.01 0.85 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 0.00 163 K 8.98 4.33 0.00 1.83 1.74 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 164 N 8.79 4.65 0.00 2.88 3.05 0.00 0.00 5.99 7.56 0.00 0.00 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.