NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7137 8.2833 119.2052 53.1966 40.4034 175.2065 3 Q 3.8132 8.5780 123.0160 58.1078 28.7063 177.2216 4 L 3.9208 8.2238 121.1451 58.2231 42.4964 178.1871 5 D 4.2967 8.5345 117.8621 57.5441 41.3925 178.1993 6 Q 4.0315 8.2510 118.6392 58.6950 28.5488 178.7954 7 L 4.1328 8.2130 121.7212 57.9904 42.3374 178.9438 8 G 3.7170 8.4030 106.3714 48.0682 0.0000 175.5499 9 T 3.8687 7.9024 112.5545 64.5436 68.6311 176.3871 10 R 3.9217 7.5545 120.4779 58.9582 30.1144 179.0867 11 I 3.7149 8.1533 112.9696 64.1803 37.5372 177.9637 12 N 4.3374 8.1710 118.1101 55.7661 38.3605 176.9684 13 L 3.9214 8.1311 121.9509 58.4003 42.1762 179.0126 14 I 3.7744 8.0838 118.6883 64.2325 37.8233 177.5646 15 C 4.2426 8.5441 118.1043 62.9640 27.9599 175.8569 16 N 4.3524 8.1966 117.9278 56.1825 38.1220 177.6475 17 V 3.6481 8.0081 119.6659 66.0079 31.6814 177.7818 18 F 4.3652 8.5819 120.5231 61.6534 39.2272 176.7727 19 D 4.3227 8.6318 118.7709 57.1660 40.5389 178.7630 20 K 3.8721 8.1241 120.2695 59.1190 31.9782 178.7063 21 W 3.7336 7.8838 127.6944 60.3250 30.7967 177.6559 22 I 2.9533 7.4090 119.8905 63.9114 36.4312 178.5289 23 G 3.5688 7.8665 106.5172 47.7776 0.0000 175.7182 24 Q 3.8850 7.3341 119.1241 58.2267 28.6578 177.9591 25 Q 3.8710 6.8765 116.7208 54.8231 29.2425 175.1974 26 D 4.2927 7.8062 118.6601 55.2103 38.6829 172.6489 27 L 4.7577 7.2456 116.8579 52.5631 46.4520 174.9365 28 N 4.9737 8.1317 116.7698 50.8604 41.1780 174.7455 29 Y 3.9611 8.3974 120.1499 60.9893 38.9315 177.5823 30 N 4.3611 8.3765 116.7673 56.3962 38.6256 177.2770 31 L 4.0320 8.5716 120.5914 57.6258 41.7266 179.1287 32 F 3.8357 8.2167 120.3909 61.2917 39.4084 176.6864 33 A 2.7434 7.8391 120.5951 54.9371 18.0954 179.8419 34 V 3.6050 7.1564 115.0370 65.9047 31.7767 178.3697 35 L 3.8855 7.9404 118.9888 58.0053 41.5390 178.9411 36 Y 3.8108 7.9057 119.7232 60.6642 38.4821 177.9731 37 T 3.8932 7.3722 115.6461 66.8477 68.6092 176.6871 38 L 4.3752 7.9987 121.4692 57.1533 41.3346 179.4927 39 A 3.9387 7.8001 120.4668 54.6851 18.3418 178.9426 40 T 4.0516 7.4201 106.7414 63.4605 69.7827 176.3863 41 E 4.2738 8.7636 119.8001 57.6845 30.7424 177.6027 42 G 3.7519 8.0744 106.3416 44.2695 0.0000 172.0184 43 S 5.0484 8.3184 116.1629 58.7123 63.3671 174.3278 44 R 4.8130 8.3383 122.1817 54.6379 35.0221 174.6086 45 T 4.5378 8.4258 111.0334 61.3685 69.8551 175.5911 46 Q 4.1046 9.0020 121.7446 59.1097 28.6434 179.2357 47 K 3.9896 8.0879 120.1236 59.7335 32.2793 178.1651 48 H 4.1074 8.1553 117.9419 59.3605 29.8468 177.1115 49 I 3.9590 8.0060 121.7497 64.5984 36.9936 178.7115 50 G 3.7254 8.3154 106.3849 47.8500 0.0000 175.7186 51 E 4.0275 8.4886 121.1825 58.8002 29.2672 179.1283 52 K 3.7134 8.0963 119.1042 59.0228 32.3033 178.0451 53 W 4.7762 7.8972 115.3315 55.3769 29.9552 176.3653 54 S 3.8369 7.7805 112.4026 60.1297 60.2694 172.2932 55 L 4.9464 8.3602 118.7055 51.9255 44.5110 176.2306 56 P 4.5624 0.0000 0.0000 62.5018 33.4058 177.6147 57 K 3.9946 8.6477 118.2318 59.9808 31.8855 179.6185 58 Q 4.0879 8.0541 117.7807 58.9988 28.7229 178.4492 59 T 3.8896 7.9480 116.3678 66.7907 68.5464 176.4469 60 V 3.6631 7.6429 119.7058 66.2044 31.5708 178.1258 61 S 4.3346 8.6638 115.3827 61.5477 62.7205 176.8969 62 G 3.6454 8.3104 108.3437 48.0264 0.0000 175.8596 63 V 3.6613 7.9232 121.4734 65.7773 31.5102 177.9196 64 C 4.1379 8.4858 116.6342 62.2164 27.9302 175.8508 65 K 4.0693 8.2908 121.5028 59.9445 31.8590 178.9024 66 T 3.8633 7.7271 115.2413 66.7791 68.3501 176.7341 67 L 3.9007 8.0678 120.6352 57.6955 41.6790 179.5194 68 A 4.1603 8.1616 120.9702 55.0379 18.0862 179.9687 69 G 3.6215 8.0537 103.5509 47.6979 0.0000 175.2518 70 Q 4.2569 8.0194 117.6924 55.7417 28.8120 176.7540 71 G 3.8903 7.5278 107.8404 46.2150 0.0000 174.6540 72 L 4.3679 8.1012 122.5943 55.5599 43.0079 176.5153 73 I 5.0494 7.4248 110.1050 59.0132 41.1954 174.6029 74 E 4.6660 8.6341 118.9962 54.8525 33.0914 174.0279 75 W 4.8001 8.8536 121.7282 55.4202 30.4819 176.0838 76 Q 4.1623 9.3828 126.7722 56.2745 29.0262 176.3570 77 E 4.1649 9.0743 124.9901 55.9192 30.1820 176.4102 78 G 4.0326 7.7400 110.1674 45.7268 0.0000 172.1647 79 E 4.1188 8.3853 119.3602 58.1659 29.9636 176.8561 80 Q 4.2133 7.8335 116.3874 55.3131 29.5485 175.6701 81 D 4.3875 8.5192 119.4005 54.4723 41.7953 177.6389 82 R 3.6356 8.7507 123.9215 59.5049 29.9204 178.6852 83 R 4.3330 7.6683 111.1497 57.8887 29.5013 177.2446 84 K 4.3374 7.9929 116.9220 57.0010 32.7803 177.2192 85 R 4.3338 7.6390 118.0283 55.2681 30.9467 176.1906 86 L 4.2006 8.4098 120.7954 55.0189 42.8719 176.0646 87 L 4.6577 8.6651 126.0479 54.3278 44.0072 175.1904 88 S 4.8025 8.6415 118.4543 56.3556 66.3435 173.1217 89 L 4.4716 8.4282 126.2677 55.1388 42.2743 177.2920 90 T 4.4236 8.7415 114.1867 60.4143 70.6871 175.3603 91 E 3.9562 8.9158 120.3633 59.9849 29.2826 179.7767 92 T 4.0583 7.9473 109.2814 64.5146 68.8546 176.7629 93 G 3.5382 7.8804 108.3468 47.5768 0.0000 175.8303 94 K 3.9631 8.4491 121.4295 59.0997 31.8530 179.3125 95 A 3.9958 7.7537 119.7771 55.4122 18.4183 178.7922 96 Y 4.0468 8.1937 116.8366 60.3846 39.0823 177.4310 97 A 4.2372 8.2102 120.6543 53.2479 19.1622 178.9697 98 A 3.9379 7.7713 119.8821 55.2106 18.3499 178.0559 99 P 4.2054 0.0000 0.0000 65.5041 31.3960 178.6347 100 L 3.9758 7.6562 118.7436 58.5195 42.1195 179.0432 101 T 4.2681 8.2687 115.8573 66.6201 68.3331 176.6425 102 E 4.0454 8.2761 120.6770 59.5972 29.6497 179.6773 103 S 4.3320 8.6596 114.1528 61.1072 62.9359 176.3578 104 A 4.2218 8.5392 125.0333 55.2143 18.2191 179.3531 105 Q 4.0051 8.4150 118.2376 59.1358 29.1285 177.8601 106 E 3.9887 8.5223 120.4607 59.4356 29.7826 178.5190 107 F 4.2446 8.4532 120.5133 61.4980 39.4918 176.9070 108 S 4.2008 8.5183 113.0100 61.4901 61.8891 176.0518 109 D 4.3859 7.9628 120.6275 57.3259 40.7226 178.4110 110 K 4.0686 7.9863 118.9995 59.6048 31.8392 179.6134 111 V 3.2888 7.4310 117.1406 65.2672 31.5606 177.1421 112 F 4.5246 7.9741 114.8119 56.7910 38.7477 177.1945 113 A 4.0507 7.5047 123.7884 55.7421 18.0612 179.6257 114 T 4.1369 7.9577 102.1276 62.7445 69.4968 174.4120 115 F 4.5943 8.4432 122.0826 56.2336 40.7266 176.3963 116 G 4.0588 8.2863 110.5328 43.8211 0.0000 174.7722 117 D 4.4791 8.3893 121.2968 56.3581 40.8880 179.2004 118 K 3.9027 8.0566 118.7262 59.6879 32.0735 179.2773 119 R 3.9654 7.9593 117.8255 59.3945 29.6558 179.1812 120 T 3.3989 7.9501 109.5544 64.9062 68.7182 176.5239 121 T 3.9140 7.9557 119.3203 66.4851 68.4601 176.3709 122 R 3.8387 7.7725 119.7379 59.2107 30.0485 178.1190 123 L 3.9148 8.0491 120.5570 58.3704 42.0428 179.0846 124 F 4.5303 8.3332 117.6820 60.6078 38.7610 177.5945 125 A 4.0883 8.4825 120.7957 55.0220 18.1343 179.4970 126 D 4.2959 8.4869 117.9801 57.5259 40.9255 178.8480 127 L 4.0033 8.2163 119.6649 57.9083 41.5647 179.2060 128 D 4.3270 8.2323 118.4248 57.4519 40.8305 178.7442 129 A 3.9724 8.3159 121.4041 55.0620 18.1409 179.2420 130 L 3.8422 8.2327 117.5830 58.3183 42.2452 178.5931 131 A 4.1450 8.0990 119.4375 55.3263 18.5541 178.8829 132 E 4.1142 8.3785 117.2105 59.7184 29.4982 180.4519 133 V 3.8040 7.5253 113.6710 64.2291 31.2313 177.0667 *135 E 4.2371 8.0754 118.4970 56.0241 31.6382 178.0797 136 K 3.9395 8.3088 119.3365 59.8902 32.1072 179.0625 137 T 4.0902 8.1558 116.1901 66.6216 68.0916 176.8091 138 I 3.7132 7.6297 120.3857 64.4319 37.4543 178.0008 139 S 4.2806 8.3958 116.3685 61.6943 62.4562 176.4834 140 E 3.9566 7.9685 119.7756 59.8363 29.3847 179.2438 141 N 4.4955 7.7765 114.1924 55.6956 38.6003 175.9238 142 K 4.3017 7.5975 123.7629 56.6110 32.3262 176.5697 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 8.28 4.71 0.00 2.74 2.75 0.00 0.00 7.09 6.42 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 3 Q 8.58 3.81 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 4 L 8.22 3.92 0.00 1.79 1.80 0.92 1.15 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 5 D 8.53 4.30 0.00 2.84 2.83 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 6 Q 8.25 4.03 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 7 L 8.21 4.13 0.00 1.75 1.89 0.93 1.27 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 8 G 8.40 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 0.00 0.00 0.00 9 T 7.90 3.87 4.25 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 1.25 0.00 0.00 10 R 7.55 3.92 0.00 2.28 2.04 0.00 3.14 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 11 I 8.15 3.71 1.88 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 1.69 1.42 0.92 0.00 0.00 12 N 8.17 4.34 0.00 3.06 2.91 0.00 0.00 6.60 6.65 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 13 L 8.13 3.92 0.00 1.88 1.89 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.08 3.77 1.90 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 1.56 1.45 1.00 0.00 0.00 15 C 8.54 4.24 0.00 3.00 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 16 N 8.20 4.35 0.00 3.16 2.89 0.00 0.00 6.66 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 17 V 8.01 3.65 2.34 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 1.13 0.00 0.00 1.06 0.00 0.00 18 F 8.58 4.37 0.00 3.30 3.33 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 19 D 8.63 4.32 0.00 2.91 2.69 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 0.00 0.00 0.00 0.00 20 K 8.12 3.87 0.00 2.03 1.94 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.40 7.81 21 W 7.88 3.73 0.00 2.81 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 22 I 7.41 2.95 1.66 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.31 0.58 0.00 0.00 23 G 7.87 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 24 Q 7.33 3.89 0.00 1.67 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 25 Q 6.88 3.87 0.00 1.65 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 26 D 7.81 4.29 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 27 L 7.25 4.76 0.00 1.52 1.50 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.13 4.97 0.00 2.98 2.91 0.00 0.00 5.56 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 29 Y 8.40 3.96 0.00 3.13 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 30 N 8.38 4.36 0.00 3.03 2.91 0.00 0.00 7.11 6.74 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 31 L 8.57 4.03 0.00 1.82 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.22 3.84 0.00 3.01 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 33 A 7.84 2.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 3.60 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 0.93 0.00 0.00 0.91 0.00 0.00 35 L 7.94 3.89 0.00 1.68 1.68 1.11 0.72 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 36 Y 7.91 3.81 0.00 1.48 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 0.00 0.00 0.00 37 T 7.37 3.89 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 1.34 0.00 0.00 38 L 8.00 4.38 0.00 1.64 1.63 0.79 0.51 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 39 A 7.80 3.94 1.24 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 0.00 0.00 0.00 40 T 7.42 4.05 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 0.37 0.00 0.00 41 E 8.76 4.27 0.00 1.99 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 2.26 2.38 0.00 42 G 8.07 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 0.00 0.00 0.00 43 S 8.32 5.05 0.00 3.74 3.81 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 44 R 8.34 4.81 0.00 1.67 1.75 0.00 2.81 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 45 T 8.43 4.54 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 1.30 0.00 0.00 46 Q 9.00 4.10 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 47 K 8.09 3.99 0.00 1.91 1.86 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.60 7.81 48 H 8.16 4.11 0.00 3.35 3.51 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.01 3.96 2.10 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 1.56 0.80 1.05 0.00 0.00 50 G 8.32 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 51 E 8.49 4.03 0.00 2.06 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 2.34 2.42 0.00 52 K 8.10 3.71 0.00 1.56 1.95 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.45 1.09 7.81 53 W 7.90 4.78 0.00 3.39 3.29 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 54 S 7.78 3.84 0.00 4.21 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 55 L 8.36 4.95 0.00 1.71 1.68 1.08 1.26 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 56 P 0.00 4.56 0.00 2.48 2.22 0.00 3.80 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 2.13 2.10 0.00 57 K 8.65 3.99 0.00 1.86 1.96 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.58 7.81 58 Q 8.05 4.09 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 59 T 7.95 3.89 4.49 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 0.00 0.00 0.00 1.33 0.00 0.00 60 V 7.64 3.66 2.29 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 1.23 0.00 0.00 1.12 0.00 0.00 61 S 8.66 4.33 0.00 4.08 3.96 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 62 G 8.31 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.92 3.66 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 0.99 0.00 0.00 64 C 8.49 4.14 0.00 3.42 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 65 K 8.29 4.07 0.00 2.08 1.96 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 66 T 7.73 3.86 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 1.19 0.00 0.00 67 L 8.07 3.90 0.00 1.57 1.58 0.84 0.62 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 68 A 8.16 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.05 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.02 4.26 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.30 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 71 G 7.53 3.89 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 0.00 0.00 0.00 72 L 8.10 4.37 0.00 1.57 1.56 0.39 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.42 5.05 1.48 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.23 0.72 0.00 0.00 74 E 8.63 4.67 0.00 2.03 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 2.28 2.26 0.00 75 W 8.85 4.80 0.00 3.33 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 76 Q 9.38 4.16 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 77 E 9.07 4.16 0.00 2.02 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 2.35 2.28 0.00 78 G 7.74 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 0.00 0.00 0.00 0.00 79 E 8.39 4.12 0.00 1.94 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 2.27 2.32 0.00 80 Q 7.83 4.21 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 81 D 8.52 4.39 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 3.64 0.00 1.48 1.53 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 83 R 7.67 4.33 0.00 1.99 2.01 0.00 2.69 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 84 K 7.99 4.34 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 85 R 7.64 4.33 0.00 2.06 2.07 0.00 3.22 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 86 L 8.41 4.20 0.00 1.63 1.61 0.93 0.46 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 L 8.67 4.66 0.00 1.83 1.44 -0.51 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.64 4.80 0.00 3.82 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.47 0.00 1.49 1.55 0.85 0.86 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 90 T 8.74 4.42 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 1.25 0.00 0.00 91 E 8.92 3.96 0.00 1.99 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 2.39 2.31 0.00 92 T 7.95 4.06 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 93 G 7.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.45 3.96 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.67 7.81 95 A 7.75 4.00 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 96 Y 8.19 4.05 0.00 3.03 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 97 A 8.21 4.24 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 98 A 7.77 3.94 1.39 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 0.00 0.00 99 P 0.00 4.21 0.00 2.03 2.04 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 100 L 7.66 3.98 0.00 1.67 1.89 1.00 0.85 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 0.00 101 T 8.27 4.27 4.30 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 1.28 0.00 0.00 102 E 8.28 4.05 0.00 2.27 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 0.00 2.38 2.55 0.00 103 S 8.66 4.33 0.00 4.14 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 0.00 104 A 8.54 4.22 1.77 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 0.00 0.00 105 Q 8.42 4.01 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 106 E 8.52 3.99 0.00 2.33 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 2.44 2.42 0.00 107 F 8.45 4.24 0.00 3.23 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 0.00 108 S 8.52 4.20 0.00 4.11 4.09 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 0.00 109 D 7.96 4.39 0.00 2.90 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 0.00 110 K 7.99 4.07 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.76 7.81 111 V 7.43 3.29 1.64 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 -0.09 0.00 0.00 -0.31 0.00 0.00 112 F 7.97 4.52 0.00 3.22 3.04 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 0.00 113 A 7.50 4.05 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 0.00 114 T 7.96 4.14 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 1.18 0.00 0.00 115 F 8.44 4.59 0.00 3.25 3.08 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 0.00 116 G 8.29 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 0.00 0.00 0.00 117 D 8.39 4.48 0.00 2.70 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 0.00 118 K 8.06 3.90 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 119 R 7.96 3.97 0.00 2.07 2.15 0.00 3.04 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 120 T 7.95 3.40 3.38 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 1.22 0.00 0.00 121 T 7.96 3.91 4.40 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 1.23 0.00 0.00 122 R 7.77 3.84 0.00 2.04 2.06 0.00 3.15 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 1.62 1.67 0.00 123 L 8.05 3.91 0.00 1.70 1.51 0.95 0.72 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 0.00 124 F 8.33 4.53 0.00 3.16 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 0.00 125 A 8.48 4.09 1.39 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 0.00 0.00 126 D 8.49 4.30 0.00 2.93 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 0.00 127 L 8.22 4.00 0.00 1.91 1.76 1.10 1.40 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 0.00 128 D 8.23 4.33 0.00 2.89 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 0.00 129 A 8.32 3.97 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 0.00 130 L 8.23 3.84 0.00 1.85 1.85 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.10 4.14 1.34 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 0.00 0.00 0.00 132 E 8.38 4.11 0.00 2.21 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 2.33 2.56 0.00 133 V 7.53 3.80 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 1.11 0.00 0.00 0.98 0.00 0.00 *135 E 8.08 4.24 0.00 2.06 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 2.25 0.00 136 K 8.31 3.94 0.00 1.98 1.92 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.63 7.81 137 T 8.16 4.09 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 0.00 138 I 7.63 3.71 2.02 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 1.64 0.47 0.92 0.00 0.00 139 S 8.40 4.28 0.00 4.01 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 0.00 140 E 7.97 3.96 0.00 2.14 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 2.35 2.61 0.00 141 N 7.78 4.50 0.00 2.79 2.89 0.00 0.00 7.15 8.94 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 0.00 142 K 7.60 4.30 0.00 1.90 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.