NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6397 8.3649 120.1897 54.0526 42.9947 175.8340 4 R 4.4807 7.9225 115.0210 55.7391 33.6245 176.1186 5 L 4.2067 7.8508 118.8972 57.7622 42.4097 178.1486 6 T 4.1786 7.8501 109.1663 63.7313 69.4594 176.6349 7 Q 4.0845 7.8386 119.5084 58.5315 28.6284 177.5979 8 L 3.9906 8.4304 123.8343 57.6681 42.0027 178.2099 9 Q 3.9574 7.9742 118.1209 59.3936 29.1228 179.5901 10 I 3.7886 8.9022 120.9211 64.6887 36.9882 178.0325 11 C 4.1895 8.1988 119.3973 62.1281 31.1675 174.7601 12 L 4.0142 8.1289 120.9262 56.3051 41.6976 178.2336 13 D 4.4284 8.2525 120.8473 57.2696 40.8532 178.0138 14 Q 4.1747 8.0928 118.1709 59.5742 28.6465 179.2621 15 M 3.9556 7.3743 118.9714 59.0026 31.5998 178.9971 16 T 3.7955 7.3947 115.5139 66.7516 68.4433 176.5223 17 E 4.2342 8.8663 121.0727 59.1378 29.5576 178.5542 18 Q 4.1843 8.8658 118.8086 57.5687 29.1035 176.6855 19 F 4.5318 8.4247 117.2758 58.5575 39.5238 175.5931 20 C 4.7173 7.5937 116.5193 60.3943 30.4325 175.7131 21 A 4.2458 8.3335 119.8692 54.2369 17.9874 178.2576 22 T 4.2280 7.5078 113.0923 64.9608 69.7319 176.4112 23 L 3.8829 7.8951 122.0105 58.1648 41.6214 179.0162 24 N 4.3004 8.2230 117.0262 56.9195 38.8597 175.8468 25 Y 4.0863 8.1953 121.0339 61.1059 38.9282 178.0358 26 I 4.0144 8.1273 119.9657 64.6950 36.9606 178.0627 27 D 4.3958 7.9205 118.5650 57.1703 40.9779 178.2929 28 K 4.4413 8.7281 116.1752 56.4286 32.0975 177.1306 29 N 4.6715 7.7278 116.7175 53.9758 39.9068 173.8940 30 H 4.2041 8.4964 111.1612 56.3453 26.6994 177.3068 31 G 3.5664 7.9436 109.7257 48.2357 0.0000 175.6504 32 F 4.6042 8.2812 122.0566 60.9822 39.6558 175.4599 33 E 4.3358 8.7283 120.6253 56.6124 29.0536 176.6858 34 R 4.4441 7.6143 113.3354 55.4592 30.4326 176.6364 35 L 4.5556 7.3705 115.3031 54.7349 43.4822 176.3369 *48 T 4.1050 7.6678 115.0212 63.3123 69.5258 173.3075 49 V 4.4731 8.0702 124.1523 60.8574 34.7125 174.8747 50 V 4.0924 8.0877 118.0539 59.3519 32.7365 174.6726 51 P 4.3837 0.0000 0.0000 62.3923 31.2012 175.3822 52 P 4.4330 0.0000 0.0000 65.4101 30.9284 177.6257 53 E 4.1052 8.1444 119.7071 58.3350 29.8878 177.0540 54 E 3.9262 8.1500 118.6109 59.8514 29.6538 178.4254 55 F 4.3762 8.3371 119.9311 61.8433 39.3519 176.7287 56 S 4.0696 8.1443 111.7468 61.7916 62.2971 176.2489 57 N 4.3694 8.6260 119.2515 56.5708 38.3151 177.6173 58 T 3.6475 8.2369 117.3495 66.7274 68.5374 176.8165 59 I 3.3907 7.9908 122.6311 64.5621 36.9329 178.3036 60 D 4.2635 8.4368 120.0050 57.1877 40.4368 178.3275 61 E 3.8440 8.1483 119.6716 58.5334 29.3603 178.5952 62 L 4.0406 7.5330 118.4252 56.8974 42.1506 178.3263 63 S 3.9851 7.8627 111.9405 61.9077 62.5029 175.8363 64 T 3.9396 8.0971 115.5895 65.3711 67.0419 175.2917 65 D 4.3504 7.5608 119.9783 57.5953 41.1600 178.3479 66 I 3.9825 8.1109 120.3350 63.9766 37.1091 178.4236 67 I 3.8489 7.7024 121.2590 64.0524 36.8645 178.0612 68 L 4.0041 7.8604 120.8691 57.9820 42.0083 179.0223 69 K 3.9730 7.8841 118.2198 59.7463 31.7620 179.4175 70 T 3.9247 7.6700 115.0811 66.5085 68.6063 176.3929 71 R 3.9926 8.0965 120.5281 59.4854 30.2002 178.1709 72 Q 3.9740 8.2081 117.9512 59.4256 28.6486 179.4176 73 I 3.6700 8.0132 117.8454 64.2377 38.1229 177.2365 74 N 4.4759 8.3086 117.6524 55.8214 38.7172 177.2794 75 K 4.1853 8.0731 119.2986 59.8997 32.0860 179.0312 76 L 4.0460 8.1158 119.0316 57.7475 41.4713 179.4296 77 I 3.7941 8.0053 118.7916 64.0404 36.9776 177.9208 78 D 4.5050 7.8131 119.0257 57.3072 41.0001 178.3728 79 S 4.3159 7.7524 113.6774 59.2329 63.0993 174.5908 80 L 3.8505 7.5099 123.9705 54.9387 42.1224 174.8229 81 P 4.4556 0.0000 0.0000 63.6247 32.5789 176.2179 82 G 3.9862 9.2640 109.0918 45.6108 0.0000 175.4645 83 V 3.5174 7.3828 111.2679 65.3789 31.9965 177.2162 84 D 4.4498 8.0039 119.1900 57.2896 41.0847 177.9015 85 V 3.6701 7.0083 116.7252 62.7318 32.3488 175.5099 86 S 4.4709 8.3134 119.8206 57.2584 63.6431 174.5764 87 A 4.4450 8.2661 124.4648 53.7853 18.1571 179.4581 88 E 3.8398 8.2954 118.2470 59.4867 29.9542 178.3038 89 E 3.9591 8.2860 118.6727 59.0588 29.5061 178.5465 90 Q 4.0984 7.6166 116.6826 58.5907 28.8992 177.7878 91 L 4.0657 8.1166 120.4752 57.6256 41.5972 179.9210 92 R 4.0330 7.9114 115.5296 58.8994 30.1885 178.4138 93 K 3.9227 7.5145 120.7298 59.0530 31.8808 178.4828 94 I 3.6808 8.1645 113.4699 64.0100 37.6848 177.3289 95 D 4.3256 7.5683 120.0968 57.5443 40.8960 177.6014 96 M 3.8778 8.5296 118.2994 59.0518 31.9782 177.7965 97 L 3.9688 8.0557 118.2226 58.2300 41.6886 179.9737 98 Q 4.0255 8.0105 117.0602 59.1158 28.9279 178.6309 99 K 4.0702 7.9454 119.5342 59.2001 32.0868 179.2077 100 K 3.7870 8.5799 120.3912 59.2341 31.8025 178.4187 101 L 4.0421 7.2968 119.7988 57.7601 42.3175 178.4825 102 V 3.6970 7.9302 118.3492 66.0441 31.5741 177.4695 103 E 3.9187 8.2506 117.9189 59.9069 29.3582 179.8522 104 V 3.6424 7.6269 117.3819 65.7042 31.4131 177.5776 105 E 4.0140 8.4639 119.7167 59.0450 29.5362 178.2520 106 D 4.3174 8.0318 118.5455 57.3776 40.9254 178.4264 107 E 3.9881 8.3156 119.2134 59.0122 29.3095 179.3779 108 K 3.9200 7.9408 119.7527 59.8986 32.2868 178.3575 109 I 3.6307 8.4419 120.2516 64.5979 36.9430 177.4343 110 E 3.8092 8.5523 118.9681 59.7081 29.4358 178.9108 111 A 3.9762 8.0874 120.1597 55.5732 18.4570 179.3395 112 I 3.6296 7.9912 118.1069 64.7078 37.1501 178.4961 113 K 3.9065 8.1901 118.8795 59.6994 31.9715 179.2915 114 K 3.8389 8.2463 118.5694 59.6272 31.9826 179.3223 115 K 3.9762 8.3824 119.9430 59.5719 32.1423 178.8845 116 E 4.1821 8.3932 118.9219 58.9311 29.3053 179.3167 117 K 3.9175 8.3548 120.2667 59.3730 32.3156 178.4671 118 L 3.9743 7.8399 120.6681 58.1889 41.8726 178.7321 119 L 3.9547 8.4211 120.4150 58.3014 41.9700 179.0184 120 R 3.9344 8.3645 118.4493 59.4859 29.9888 178.3932 121 H 4.0775 8.2761 117.8868 59.2814 29.9394 177.2260 122 V 3.6017 7.7961 119.8363 66.2577 31.2872 177.4372 123 D 4.4089 8.3878 118.7451 57.5990 40.5069 178.6617 124 S 4.0962 8.0528 112.1347 61.6076 62.7131 175.8620 125 L 4.1928 7.9032 121.1060 58.2945 41.5499 179.6024 126 I 4.0434 8.0783 119.3892 64.6292 36.8878 178.1266 127 E 4.0400 8.5696 120.2989 59.2429 29.2981 177.8465 128 D 4.6104 7.8276 115.3021 55.0490 41.0146 176.7004 129 F 4.6067 7.7473 117.1959 57.1363 39.8213 176.2333 130 V 3.8195 7.4197 121.8344 62.5037 31.8909 174.8911 131 D 4.7330 10.0375 126.7610 54.1161 41.7073 174.8189 132 G 2.9007 9.8732 114.4168 45.2180 0.0000 172.8303 133 I 3.5462 7.4449 124.7652 62.1835 36.9739 173.9444 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 3 D 8.36 4.64 0.00 2.63 2.72 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 4 R 7.92 4.48 0.00 1.92 1.84 0.00 3.18 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 5 L 7.85 4.21 0.00 1.74 1.66 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.85 4.18 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 7 Q 7.84 4.08 0.00 2.29 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 8 L 8.43 3.99 0.00 1.85 1.83 0.90 0.70 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 9 Q 7.97 3.96 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 10 I 8.90 3.79 1.98 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 1.39 0.70 0.90 0.00 0.00 11 C 8.20 4.19 0.00 3.26 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 12 L 8.13 4.01 0.00 1.67 1.72 0.85 1.01 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 13 D 8.25 4.43 0.00 2.88 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 14 Q 8.09 4.17 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 15 M 7.37 3.96 0.00 1.39 2.01 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 16 T 7.39 3.80 4.22 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 1.18 0.00 0.00 17 E 8.87 4.23 0.00 2.17 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 2.33 2.43 0.00 18 Q 8.87 4.18 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 19 F 8.42 4.53 0.00 3.11 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 20 C 7.59 4.72 0.00 3.24 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 21 A 8.33 4.25 1.38 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 22 T 7.51 4.23 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 1.11 0.00 0.00 23 L 7.90 3.88 0.00 1.75 1.72 0.90 0.49 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 24 N 8.22 4.30 0.00 3.20 2.87 0.00 0.00 6.64 7.69 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 25 Y 8.20 4.09 0.00 3.07 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 26 I 8.13 4.01 1.96 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 1.82 0.91 1.06 0.00 0.00 27 D 7.92 4.40 0.00 2.96 2.72 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 28 K 8.73 4.44 0.00 1.62 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.56 7.81 29 N 7.73 4.67 0.00 2.56 2.49 0.00 0.00 7.11 9.20 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 30 H 8.50 4.20 0.00 3.18 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.94 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 32 F 8.28 4.60 0.00 3.01 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 E 8.73 4.34 0.00 1.88 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 2.22 2.22 0.00 34 R 7.61 4.44 0.00 1.97 1.89 0.00 2.91 0.00 0.00 2.94 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 35 L 7.37 4.56 0.00 1.42 1.57 0.97 0.91 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 *48 T 7.67 4.11 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 1.21 0.00 0.00 49 V 8.07 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 50 V 8.09 4.09 2.30 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 0.84 0.00 0.00 0.93 0.00 0.00 51 P 0.00 4.38 0.00 2.25 2.22 0.00 3.92 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 2.01 0.00 52 P 0.00 4.43 0.00 2.31 2.34 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 53 E 8.14 4.11 0.00 2.09 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 2.38 2.39 0.00 54 E 8.15 3.93 0.00 2.14 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 0.00 2.56 2.50 0.00 55 F 8.34 4.38 0.00 3.24 3.13 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 56 S 8.14 4.07 0.00 4.18 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 57 N 8.63 4.37 0.00 2.89 2.84 0.00 0.00 7.09 6.77 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 58 T 8.24 3.65 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 0.13 0.00 0.00 59 I 7.99 3.39 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.01 0.76 0.00 0.00 60 D 8.44 4.26 0.00 2.61 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 61 E 8.15 3.84 0.00 2.07 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 2.22 2.30 0.00 62 L 7.53 4.04 0.00 1.61 1.57 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.86 3.99 0.00 3.75 4.05 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 64 T 8.10 3.94 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 1.23 0.00 0.00 65 D 7.56 4.35 0.00 3.00 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 66 I 8.11 3.98 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.47 1.18 0.00 0.00 67 I 7.70 3.85 1.99 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 1.42 1.22 0.92 0.00 0.00 68 L 7.86 4.00 0.00 1.75 1.83 0.97 0.82 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 69 K 7.88 3.97 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.65 7.81 70 T 7.67 3.92 4.42 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 1.23 0.00 0.00 71 R 8.10 3.99 0.00 1.89 2.09 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 Q 8.21 3.97 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 73 I 8.01 3.67 1.90 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 1.49 0.71 0.96 0.00 0.00 74 N 8.31 4.48 0.00 2.94 2.81 0.00 0.00 6.83 7.28 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 75 K 8.07 4.19 0.00 1.91 1.90 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 76 L 8.12 4.05 0.00 1.86 1.69 0.91 0.63 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 77 I 8.01 3.79 1.96 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 1.51 0.79 0.90 0.00 0.00 78 D 7.81 4.51 0.00 2.82 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 79 S 7.75 4.32 0.00 3.98 3.92 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 80 L 7.51 3.85 0.00 1.73 1.71 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.46 0.00 2.21 2.02 0.00 3.77 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 1.97 1.95 0.00 82 G 9.26 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 83 V 7.38 3.52 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 0.81 0.00 0.00 0.98 0.00 0.00 84 D 8.00 4.45 0.00 2.66 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 85 V 7.01 3.67 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 0.71 0.00 0.00 0.97 0.00 0.00 86 S 8.31 4.47 0.00 3.89 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 87 A 8.27 4.44 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 88 E 8.30 3.84 0.00 2.05 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 2.30 2.31 0.00 89 E 8.29 3.96 0.00 2.07 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 2.38 2.42 0.00 90 Q 7.62 4.10 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.34 2.72 0.00 91 L 8.12 4.07 0.00 1.83 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.91 4.03 0.00 2.07 2.17 0.00 2.81 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 93 K 7.51 3.92 0.00 2.14 2.08 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.53 7.81 94 I 8.16 3.68 1.87 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 1.48 0.49 0.99 0.00 0.00 95 D 7.57 4.33 0.00 2.94 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 96 M 8.53 3.88 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 97 L 8.06 3.97 0.00 1.94 1.74 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.01 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 99 K 7.95 4.07 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.59 7.81 100 K 8.58 3.79 0.00 1.91 1.83 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 101 L 7.30 4.04 0.00 2.05 1.86 0.92 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 0.00 102 V 7.93 3.70 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 1.06 0.00 0.00 0.98 0.00 0.00 103 E 8.25 3.92 0.00 2.21 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 2.41 2.41 0.00 104 V 7.63 3.64 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 0.99 0.00 0.00 1.00 0.00 0.00 105 E 8.46 4.01 0.00 2.10 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 2.30 2.39 0.00 106 D 8.03 4.32 0.00 2.90 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 0.00 107 E 8.32 3.99 0.00 2.25 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 2.33 2.50 0.00 108 K 7.94 3.92 0.00 1.98 1.97 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 109 I 8.44 3.63 2.04 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 1.41 0.56 0.91 0.00 0.00 110 E 8.55 3.81 0.00 2.25 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 2.32 2.42 0.00 111 A 8.09 3.98 1.42 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 0.00 0.00 112 I 7.99 3.63 2.08 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 1.52 0.79 0.91 0.00 0.00 113 K 8.19 3.91 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 114 K 8.25 3.84 0.00 1.96 1.89 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 115 K 8.38 3.98 0.00 1.81 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 116 E 8.39 4.18 0.00 2.18 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 2.41 2.46 0.00 117 K 8.35 3.92 0.00 1.82 1.95 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 118 L 7.84 3.97 0.00 1.92 1.92 0.91 0.57 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 0.00 119 L 8.42 3.95 0.00 1.75 1.83 0.93 0.98 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 0.00 120 R 8.36 3.93 0.00 2.13 1.98 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 121 H 8.28 4.08 0.00 3.34 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.80 3.60 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 0.99 0.00 0.00 0.98 0.00 0.00 123 D 8.39 4.41 0.00 2.96 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 0.00 124 S 8.05 4.10 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 0.00 125 L 7.90 4.19 0.00 2.14 2.09 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.08 4.04 2.07 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 1.42 1.16 0.96 0.00 0.00 127 E 8.57 4.04 0.00 2.15 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 0.00 2.31 2.37 0.00 128 D 7.83 4.61 0.00 2.59 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 0.00 129 F 7.75 4.61 0.00 3.17 3.06 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 0.00 130 V 7.42 3.82 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 0.78 0.00 0.00 1.09 0.00 0.00 131 D 10.04 4.73 0.00 2.71 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 0.00 132 G 9.87 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 0.00 0.00 0.00 133 I 7.44 3.55 1.87 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 1.27 0.46 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.