NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4469 8.4449 116.7662 55.1466 31.5071 175.3369 3 L 4.2649 8.3408 119.7539 53.7929 42.3782 176.4698 4 T 4.4076 9.4497 115.8949 60.6037 72.4014 175.7092 5 A 3.9639 8.4049 123.1048 55.4365 18.3051 179.9332 6 L 3.9278 7.9253 116.9005 57.8928 41.6802 179.1242 7 D 4.5172 8.3705 118.9644 57.5946 40.6375 179.2204 8 K 3.6957 7.6573 117.1511 59.3006 32.0867 179.0764 9 L 4.0494 7.7731 118.3518 57.8212 41.6159 178.9270 10 E 4.1046 8.1326 118.3660 59.0233 29.8477 179.2387 11 I 3.6494 7.3460 118.3752 61.6669 37.0084 177.7263 *13 E 4.3061 8.2374 121.6642 56.3645 31.6613 178.2726 14 L 3.9000 7.6445 118.3715 57.7208 41.5929 179.3477 15 A 3.8542 7.8510 119.8285 55.0188 18.1767 179.3447 16 A 3.9873 7.7762 117.6014 55.4210 18.6204 179.6431 17 R 4.0409 8.1446 115.7711 59.2073 30.4540 178.6018 18 F 4.3128 8.4178 120.6387 61.4524 39.3096 177.6775 19 E 4.4525 8.3934 115.8701 57.1990 29.1673 179.0010 *21 S 4.4395 8.0352 117.5633 58.6921 65.2626 176.0258 22 L 3.8352 8.2163 121.8211 58.2542 41.9590 178.7702 23 D 4.3557 8.0789 117.0369 57.1731 40.7743 177.7983 24 K 4.0824 8.0433 117.7243 56.6925 32.6565 175.8266 25 E 3.8055 7.7329 116.7674 58.3082 27.2656 175.7897 26 D 4.7419 8.3370 120.0851 52.4232 40.7848 175.2408 27 V 2.2104 7.8043 126.3303 64.1269 31.4207 178.0822 28 E 3.9075 7.9401 118.6875 59.2205 29.2114 178.9654 29 N 4.4147 8.0667 114.8850 56.0826 38.8357 176.7031 30 Y 4.1428 7.9103 121.1584 60.8437 38.9239 178.2039 31 L 4.1355 8.3634 119.9568 57.6548 41.4772 179.2604 32 A 4.2000 7.9106 119.9133 54.6474 18.5342 179.2948 33 T 3.8917 7.9174 107.9995 62.9928 68.9602 174.1753 34 F 5.1087 7.6877 120.3743 55.5609 40.5961 175.6723 35 A 4.0152 8.8804 127.9650 51.7061 18.8957 178.7766 36 S 4.0634 8.4467 115.8348 61.5358 62.9030 175.5069 37 D 4.6921 7.9897 117.1793 53.1379 39.7105 176.5690 38 G 4.1661 8.1340 108.1097 46.9637 0.0000 172.7989 39 A 5.2104 9.0497 121.5779 50.1123 23.4184 174.8976 40 L 5.3116 8.9174 122.2112 53.3095 45.2934 175.0660 41 Q 5.0523 9.3893 127.2665 54.8316 32.5187 174.7362 42 G 3.9336 8.9969 113.8769 45.9646 0.0000 173.0722 43 F 4.2780 8.9803 113.7543 59.8607 37.6903 176.2193 44 W 4.6735 7.1285 118.2672 56.6493 30.1614 175.9008 45 G 4.1196 8.0181 104.3440 43.7913 0.0000 172.9566 46 I 5.2312 8.1975 122.5916 59.2522 41.5926 174.5362 47 A 4.9821 9.0145 129.5110 50.0504 21.8339 175.0699 48 K 4.7634 9.1047 121.7228 55.5491 35.1778 177.4695 49 G 4.1174 9.2691 109.4143 45.9083 0.0000 174.7739 50 K 3.8976 8.3111 118.7915 58.8084 32.1043 179.4748 51 E 3.9065 8.0878 119.4276 59.4324 29.6444 178.5658 52 E 3.9908 8.0763 118.0343 59.3901 29.6083 179.1536 53 L 3.9543 8.1517 119.3352 57.6860 41.2570 179.6325 54 R 3.8516 8.1824 118.6029 59.6409 30.1331 178.6331 55 Q 4.1778 8.1278 117.6023 59.0393 28.4798 179.0903 56 G 3.6974 8.2453 106.0027 47.3907 0.0000 175.1119 57 F 3.8428 7.9232 122.2863 61.5160 39.5500 176.6409 58 Y 4.1603 7.3550 115.5298 60.7660 37.5058 178.3878 59 A 4.1082 7.9676 117.5287 53.3859 18.0395 178.8735 *61 L 3.8812 7.7360 120.5509 55.9748 43.4249 178.4611 62 D 4.4798 8.3467 117.0667 56.7288 41.0197 177.4189 63 T 4.5282 7.4362 114.9889 64.7965 69.6734 175.3769 64 F 4.8945 7.1833 110.4204 56.9606 42.1264 174.6092 65 A 4.3804 7.0845 122.3279 52.4739 19.2968 177.2634 66 R 3.9266 7.5592 116.2496 57.0852 30.8526 175.9695 67 G 3.8305 8.8743 111.0471 46.2854 0.0000 172.5698 68 K 5.1490 7.8815 117.0312 54.2088 36.6056 175.5397 69 R 4.7253 8.8553 119.8934 55.0677 32.5439 175.2755 70 H 4.9998 9.6926 123.1455 54.8243 29.7531 174.5064 71 C 4.8365 9.2582 122.4148 57.9750 30.5672 173.0974 72 S 5.2842 8.6566 118.2589 57.2550 63.8157 172.8522 73 S 4.5446 8.9276 119.7578 57.1134 67.1221 173.0371 74 N 4.1638 8.7300 113.6933 54.0627 35.6066 174.7955 75 A 4.3005 8.0289 119.2814 52.1330 19.2650 178.0189 76 I 4.4832 8.5369 123.4332 59.4453 40.0611 175.1419 77 I 4.7357 8.4072 127.2985 59.5154 39.9540 175.0227 78 Q 4.5696 9.8128 125.1767 53.4875 32.7355 176.1086 79 G 3.8314 7.4819 107.8934 46.0581 0.0000 169.2452 80 N 5.3732 7.9585 117.7136 51.1935 39.9140 173.9789 81 Y 4.6111 9.2698 115.0028 60.0696 38.0621 176.1884 82 D 4.3347 7.4372 117.1737 52.3184 41.3268 175.3848 83 E 5.4035 9.0396 119.0474 55.1605 34.0733 174.2911 84 A 5.0337 9.0662 123.9794 51.6017 23.7112 174.6802 85 T 5.6507 8.7029 115.1913 60.7558 73.1379 172.8135 *87 E 4.4394 8.5247 119.8757 56.9698 31.3192 175.6208 88 S 5.0240 8.5522 117.3374 58.0083 67.3083 172.3315 89 Y 5.4484 9.1665 117.6047 56.2919 40.8760 174.9446 90 L 5.4094 8.8784 124.0488 53.5267 45.2375 175.2324 91 T 4.9423 9.0111 116.2534 59.8242 72.1838 173.0353 92 V 4.8941 8.6772 123.1987 61.3650 34.6983 174.6677 93 V 4.8436 8.4511 119.8482 59.3530 36.0287 174.5345 94 N 4.7955 8.6413 120.1974 53.3504 38.5651 176.1557 95 R 4.1452 8.9460 122.5851 58.6769 30.4216 177.6121 96 E 4.3755 8.3379 116.1514 56.6277 30.3529 174.5878 97 D 4.7654 7.5435 116.4103 52.2542 42.4978 174.4290 98 L 4.5357 8.3238 116.2749 55.0756 41.9227 176.6188 99 N 4.8755 8.2603 116.6010 52.3121 40.4995 175.1566 100 R 4.5788 8.4454 119.5013 56.2013 30.8697 176.0956 101 A 4.5659 9.9273 121.5350 50.6480 21.7738 176.6320 102 G 4.0796 7.2440 100.6863 46.9413 0.0000 171.0730 103 S 5.2117 7.6479 112.6901 57.8262 66.4935 172.8107 104 A 4.8383 8.8388 120.5397 51.2683 23.1714 174.8294 105 F 5.0352 8.9166 122.1442 56.8570 41.4574 174.8046 106 V 4.6266 8.0559 125.6826 60.7114 34.6291 173.8188 107 K 4.6500 8.7656 128.7420 54.6109 34.9441 174.1772 108 D 5.4240 8.5830 126.4688 52.5731 44.4386 174.6786 109 Q 5.0490 9.1588 122.1920 54.3914 31.1437 175.2231 110 V 5.1514 8.8718 116.5184 59.7882 36.3061 174.8407 111 R 5.2006 9.1643 120.2803 54.5726 34.8411 174.2266 112 K 3.9901 8.0219 124.4900 54.7351 33.2201 175.7882 113 I 4.3045 8.5436 129.1425 60.6091 39.4838 175.7445 114 N 4.3315 9.9220 123.9185 54.3523 36.0807 175.2461 115 G 3.8813 8.6436 102.9771 45.1253 0.0000 173.4264 116 K 4.6648 7.6619 119.7382 54.1158 35.9339 175.2383 117 W 4.9272 9.1964 126.5974 56.5087 30.1626 175.4288 118 Y 4.9516 9.0867 120.2372 56.0952 42.4530 174.3981 119 L 4.4075 8.9671 122.5897 55.1127 42.5776 177.4506 120 I 4.2167 9.1045 124.7705 62.5844 39.4963 175.7442 121 L 5.2283 7.7391 123.3385 53.4542 45.6316 174.4615 122 R 5.0539 9.2162 126.8530 54.6490 32.7176 174.1262 123 Q 5.1355 9.1822 125.9708 54.2719 31.4865 174.4699 124 I 4.6908 8.9358 125.7988 59.6722 40.0125 174.7309 125 E 5.0173 9.3210 128.1814 54.2048 30.3712 175.3422 126 V 4.2395 8.2349 123.7954 61.4836 32.3544 176.1033 127 D 4.7383 9.1449 124.0041 53.3538 41.8391 175.6866 128 P 4.3473 0.0000 0.0000 64.3046 31.5013 177.6776 129 S 4.0607 7.8150 113.5943 60.3867 63.4477 173.9201 130 L 3.7429 7.3834 123.7981 54.8649 42.1469 175.3395 131 P 4.1434 0.0000 0.0000 65.7419 31.5194 178.1524 132 L 3.8610 7.8439 117.8706 58.0970 41.8880 178.0999 133 L 3.9276 7.3780 117.0497 56.8953 41.8384 177.0120 134 Q 4.1039 7.7551 122.1519 56.1256 28.5088 175.9870 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 E 8.44 4.45 0.00 2.01 1.81 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 2.13 1.91 0.00 3 L 8.34 4.26 0.00 1.72 1.63 0.81 0.65 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 4 T 9.45 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 1.29 0.00 0.00 5 A 8.40 3.96 1.33 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 6 L 7.93 3.93 0.00 1.75 1.78 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.37 4.52 0.00 2.92 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 8 K 7.66 3.70 0.00 1.79 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.55 7.81 9 L 7.77 4.05 0.00 1.71 1.70 0.90 0.83 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 10 E 8.13 4.10 0.00 2.07 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 2.41 2.38 0.00 11 I 7.35 3.65 1.56 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.35 0.62 0.00 0.00 *13 E 8.24 4.31 0.00 2.17 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 2.27 2.50 0.00 14 L 7.64 3.90 0.00 1.76 1.59 0.89 0.90 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 15 A 7.85 3.85 1.23 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 0.00 0.00 16 A 7.78 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 17 R 8.14 4.04 0.00 1.96 2.02 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 18 F 8.42 4.31 0.00 2.99 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 19 E 8.39 4.45 0.00 2.17 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 0.00 2.74 2.62 0.00 *21 S 8.04 4.44 0.00 4.24 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 22 L 8.22 3.84 0.00 1.68 1.79 0.26 0.93 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 23 D 8.08 4.36 0.00 2.75 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 24 K 8.04 4.08 0.00 1.75 1.87 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 E 7.73 3.81 0.00 2.23 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 2.15 2.18 0.00 26 D 8.34 4.74 0.00 2.72 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 27 V 7.80 2.21 1.53 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 0.90 0.00 0.00 0.35 0.00 0.00 28 E 7.94 3.91 0.00 1.98 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 2.34 0.00 29 N 8.07 4.41 0.00 2.87 2.90 0.00 0.00 7.03 7.01 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 30 Y 7.91 4.14 0.00 3.00 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 31 L 8.36 4.14 0.00 1.73 1.75 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.91 4.20 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 33 T 7.92 3.89 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 1.30 0.00 0.00 34 F 7.69 5.11 0.00 3.22 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 35 A 8.88 4.02 1.23 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 0.00 0.00 36 S 8.45 4.06 0.00 3.80 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 37 D 7.99 4.69 0.00 2.78 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 38 G 8.13 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.05 5.21 1.27 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 0.00 0.00 40 L 8.92 5.31 0.00 1.97 1.59 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.39 5.05 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.16 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 42 G 9.00 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 43 F 8.98 4.28 0.00 3.09 3.18 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 0.00 44 W 7.13 4.67 0.00 2.59 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 45 G 8.02 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 46 I 8.20 5.23 1.91 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 1.30 1.17 0.93 0.00 0.00 47 A 9.01 4.98 1.22 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 0.00 0.00 48 K 9.10 4.76 0.00 1.60 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.35 7.81 49 G 9.27 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 50 K 8.31 3.90 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.47 7.81 51 E 8.09 3.91 0.00 2.02 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 2.38 2.41 0.00 52 E 8.08 3.99 0.00 2.17 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 2.39 2.38 0.00 53 L 8.15 3.95 0.00 1.54 1.60 0.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.18 3.85 0.00 2.00 2.16 0.00 3.16 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 1.84 1.72 0.00 55 Q 8.13 4.18 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 56 G 8.25 3.70 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 0.00 0.00 0.00 57 F 7.92 3.84 0.00 2.58 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 58 Y 7.35 4.16 0.00 3.27 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 59 A 7.97 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.88 0.00 1.53 1.55 -0.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.35 4.48 0.00 2.72 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 63 T 7.44 4.53 4.44 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 1.46 0.00 0.00 64 F 7.18 4.89 0.00 3.02 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 65 A 7.08 4.38 0.92 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 0.00 0.00 66 R 7.56 3.93 0.00 1.78 1.79 0.00 3.26 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 67 G 8.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.88 5.15 0.00 1.55 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.34 7.81 69 R 8.86 4.73 0.00 1.68 1.84 0.00 3.29 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 70 H 9.69 5.00 0.00 3.03 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 9.26 4.84 0.00 2.84 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 72 S 8.66 5.28 0.00 3.89 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 73 S 8.93 4.54 0.00 3.92 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 74 N 8.73 4.16 0.00 2.53 2.60 0.00 0.00 6.85 7.35 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 75 A 8.03 4.30 1.14 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 0.00 0.00 76 I 8.54 4.48 1.84 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 1.17 0.82 0.88 0.00 0.00 77 I 8.41 4.74 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.75 0.00 0.00 78 Q 9.81 4.57 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 79 G 7.48 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.96 5.37 0.00 3.03 3.06 0.00 0.00 7.17 8.30 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 81 Y 9.27 4.61 0.00 3.21 3.16 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 0.00 0.00 0.00 82 D 7.44 4.33 0.00 2.33 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 0.00 0.00 0.00 0.00 83 E 9.04 5.40 0.00 2.03 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 2.21 2.12 0.00 84 A 9.07 5.03 1.08 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 0.00 0.00 0.00 0.00 0.00 85 T 8.70 5.65 4.39 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 1.34 0.00 0.00 *87 E 8.52 4.44 0.00 2.04 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 2.55 2.48 0.00 88 S 8.55 5.02 0.00 3.92 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 89 Y 9.17 5.45 0.00 2.96 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 90 L 8.88 5.41 0.00 1.74 1.50 1.16 0.87 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 91 T 9.01 4.94 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 92 V 8.68 4.89 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 0.82 0.00 0.00 0.96 0.00 0.00 93 V 8.45 4.84 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 0.71 0.00 0.00 0.93 0.00 0.00 94 N 8.64 4.80 0.00 2.90 2.73 0.00 0.00 7.00 7.19 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 95 R 8.95 4.15 0.00 1.76 1.99 0.00 3.15 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 96 E 8.34 4.38 0.00 1.94 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 2.25 2.28 0.00 97 D 7.54 4.77 0.00 2.69 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 98 L 8.32 4.54 0.00 1.65 1.71 0.92 0.98 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 99 N 8.26 4.88 0.00 2.78 2.71 0.00 0.00 7.07 7.12 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 0.00 100 R 8.45 4.58 0.00 1.67 1.83 0.00 3.13 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 101 A 9.93 4.57 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 0.00 102 G 7.24 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.65 5.21 0.00 3.82 3.87 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 0.00 0.00 0.00 104 A 8.84 4.84 1.27 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 0.00 0.00 105 F 8.92 5.04 0.00 3.23 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 0.00 106 V 8.06 4.63 1.85 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 0.80 0.00 0.00 0.84 0.00 0.00 107 K 8.77 4.65 0.00 1.85 1.61 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.38 7.81 108 D 8.58 5.42 0.00 2.47 2.39 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 0.00 109 Q 9.16 5.05 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 110 V 8.87 5.15 2.39 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 0.69 0.00 0.00 0.92 0.00 0.00 111 R 9.16 5.20 0.00 1.72 1.70 0.00 3.27 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 112 K 8.02 3.99 0.00 0.79 0.74 0.00 1.03 0.00 0.00 1.29 0.00 0.00 2.58 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.80 0.21 7.81 113 I 8.54 4.30 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.01 0.80 0.00 0.00 114 N 9.92 4.33 0.00 2.81 2.84 0.00 0.00 7.26 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 0.00 115 G 8.64 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 0.00 0.00 0.00 116 K 7.66 4.66 0.00 1.76 1.57 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.60 1.34 7.81 117 W 9.20 4.93 0.00 3.07 3.05 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 0.00 118 Y 9.09 4.95 0.00 2.88 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 0.00 119 L 8.97 4.41 0.00 1.12 1.33 0.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 I 9.10 4.22 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.96 0.00 0.00 121 L 7.74 5.23 0.00 1.76 1.49 1.02 0.82 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 0.00 122 R 9.22 5.05 0.00 1.80 1.83 0.00 2.46 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 123 Q 9.18 5.14 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 124 I 8.94 4.69 1.94 0.00 0.00 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 1.18 0.80 0.98 0.00 0.00 125 E 9.32 5.02 0.00 2.17 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 2.22 2.09 0.00 126 V 8.23 4.24 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 0.63 0.00 0.00 0.84 0.00 0.00 127 D 9.14 4.74 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 128 P 0.00 4.35 0.00 2.11 2.11 0.00 3.71 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 1.93 1.91 0.00 129 S 7.82 4.06 0.00 3.94 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 0.00 130 L 7.38 3.74 0.00 1.50 1.28 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.14 0.00 2.16 2.08 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 132 L 7.84 3.86 0.00 1.41 1.31 0.97 0.65 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 0.00 133 L 7.38 3.93 0.00 1.59 1.50 0.62 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.76 4.10 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.