NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4183 8.1627 118.3201 55.0581 33.3758 173.8959 2 M 3.9826 8.1518 120.7149 54.9161 32.0085 174.5013 3 R 4.4058 8.5197 126.1491 56.3753 32.3785 175.2457 4 F 4.8234 6.9638 113.9876 57.4058 39.9392 172.1022 5 M 5.1452 7.9944 117.3668 54.4129 35.9880 173.3220 6 L 5.0270 9.0986 122.8809 53.0581 46.8097 175.6962 7 L 5.0697 9.0997 120.4179 51.9218 44.9157 175.6661 8 F 5.7435 9.4562 118.2923 54.4564 41.7863 174.8055 9 S 4.5195 8.6581 115.4785 56.9732 64.5735 174.2040 10 R 3.3945 7.9966 119.9020 59.4784 29.7512 176.0812 11 Q 4.1563 7.6611 115.8821 54.9574 29.9761 176.4272 12 G 4.0406 8.5492 113.1086 45.5666 0.0000 173.9046 13 K 4.4573 7.6263 118.0213 54.1232 33.9112 176.4884 14 L 4.4981 8.5399 126.7224 55.1926 42.5333 176.3096 15 R 4.6070 9.2327 124.0617 55.6269 32.8731 175.5468 16 L 4.5604 7.0917 117.0854 54.3779 45.2191 172.6206 17 Q 4.9042 8.8054 124.6455 54.4208 31.8980 175.5640 18 K 4.4146 8.0107 122.0993 55.6214 35.4763 174.3555 19 W 5.1198 8.8872 128.3532 55.5224 30.2931 175.8874 20 Y 4.5230 8.6129 122.3434 57.1993 38.3527 175.7804 21 L 4.2239 8.5188 120.0331 54.8679 44.3891 173.8602 22 A 3.8510 7.7616 128.5621 51.4146 19.6035 176.3825 23 T 4.1229 7.5900 115.3388 61.5157 72.0261 174.0429 24 S 4.2025 8.4617 120.1087 57.9613 65.4654 174.3170 25 D 4.2690 8.5756 123.9212 58.0637 40.8698 178.3917 26 K 3.6927 8.1168 117.5328 59.9233 32.0374 178.0759 27 E 3.8367 7.9287 117.3566 60.4968 29.5691 178.8907 28 R 3.3137 7.8757 117.7055 57.9783 29.8169 178.7455 29 K 3.9524 7.8161 117.3256 60.5322 32.5121 177.8996 30 K 3.7206 9.0116 117.8256 59.8173 31.4976 179.3592 31 M 3.7720 8.6013 120.7235 56.2176 32.9514 179.0409 32 V 3.0322 9.3807 112.3981 66.9864 31.6635 178.2308 33 R 3.7132 5.8400 114.0493 59.4580 29.6185 177.9559 34 E 3.8058 8.3794 120.6456 58.6237 29.7729 178.8412 35 L 3.5571 8.4229 121.1040 57.6686 42.0000 179.0620 36 M 4.5921 7.4392 117.7045 58.7415 32.3342 178.1756 37 Q 3.9515 8.3198 119.5546 59.9617 28.9439 178.9837 38 V 3.6813 7.4960 118.6376 65.9964 31.7286 177.3338 39 V 3.5040 8.8558 119.7035 63.4074 31.2610 177.1228 40 L 4.2711 8.3861 119.4407 59.5410 42.4523 180.3255 41 A 3.9959 7.8274 119.9924 54.6390 19.0445 178.1037 42 R 4.2817 8.1420 115.7140 55.3949 31.2448 176.9105 43 K 4.1957 8.4937 121.1343 55.8182 32.6758 176.4828 44 P 4.4453 0.0000 0.0000 65.3739 31.7568 178.0968 45 K 4.0131 8.1863 118.1888 59.7229 32.0849 176.9709 46 M 4.1562 7.0898 114.6699 55.5716 32.0458 174.4747 47 C 4.4969 8.2360 113.8289 58.1055 32.2877 173.1582 48 S 5.4348 8.1118 114.1409 58.7575 64.2241 173.5944 49 F 5.8925 7.9203 118.3391 54.6427 41.8528 174.2432 50 L 4.8592 8.5096 123.8476 53.3280 46.0188 174.8369 51 E 4.9193 8.9013 124.4930 54.8535 30.4742 175.2529 52 W 4.7005 9.1502 135.0000 56.9410 34.1431 175.5660 53 R 2.8858 8.2923 122.7593 57.2803 27.1992 175.0648 54 D 4.8329 7.6793 124.0549 54.5864 42.0421 173.7454 55 L 4.5509 7.8633 117.9988 53.8166 43.4414 175.9381 56 K 4.9118 9.0614 120.7302 55.1518 33.9272 176.3408 57 V 4.4994 8.4765 118.1982 59.9757 34.7611 175.0536 58 V 5.3424 8.9402 121.7347 61.7155 35.3254 173.1257 59 Y 6.0000 8.7075 120.9717 57.3986 40.1542 173.3093 60 K 4.5489 8.5015 120.9676 54.7870 36.3722 174.6402 61 R 4.9548 8.7352 127.0579 55.6776 31.1617 175.2105 62 Y 4.4622 9.6004 125.4802 56.5258 39.4190 175.4559 63 A 3.5971 8.4241 132.4154 53.3917 17.5795 177.8948 64 S 4.3750 8.3902 103.4295 58.9573 63.4271 174.4991 65 L 4.6007 8.1760 122.4216 54.8935 45.7661 174.2511 66 Y 5.5092 9.1456 123.9825 56.5196 40.7718 174.5931 67 F 4.8586 8.8533 121.5259 56.0439 41.8512 174.3088 68 C 6.1648 9.0635 120.6273 57.4241 32.9625 172.5994 69 C 5.3561 8.2828 112.8725 58.6664 32.2712 172.1308 70 A 5.1817 7.8263 120.0410 50.2567 22.1695 175.0681 71 I 5.0283 9.3547 120.2491 58.1730 42.4797 174.2178 72 E 4.3195 8.7595 122.9758 56.2209 29.9436 178.7880 73 G 3.8515 8.5858 114.1586 48.6789 0.0000 173.7477 74 Q 4.2576 7.4260 121.7052 55.2680 28.5513 173.7388 75 D 4.5922 7.3081 115.3632 51.8293 45.2568 174.5296 76 N 4.5538 8.2964 120.0833 52.1906 38.7473 174.8031 77 E 3.5107 8.4024 126.8937 59.8734 29.5030 178.6054 78 L 4.0237 7.9527 116.8173 58.3798 41.5154 179.1131 79 I 3.6319 7.6673 118.7933 64.8987 38.2118 177.4433 80 T 3.9708 7.7330 116.0174 67.0415 68.4047 175.4988 81 L 4.1166 7.9744 121.3135 58.9301 41.8676 178.8386 82 E 4.0755 8.1863 117.9271 59.4374 29.6201 179.2523 83 L 4.1544 8.7984 121.4036 58.7367 42.1491 178.3799 84 I 3.6153 7.8659 117.9378 65.0773 37.1036 177.2943 85 H 4.0000 8.2841 118.6134 59.6435 29.7509 177.3754 86 R 3.8753 9.0486 121.6300 59.6343 30.0960 177.1811 87 Y 4.6243 8.4144 119.3617 61.3005 38.5794 178.4557 88 V 3.2346 7.5764 112.2079 64.9951 31.7240 177.7009 89 E 4.0292 8.1279 117.8625 60.4733 29.2182 178.4279 90 L 3.8470 8.5460 117.4598 57.9829 42.0219 180.0781 91 L 4.2341 8.3078 118.2673 58.6289 41.9517 178.5253 92 D 4.3607 9.2570 118.4338 58.1294 40.8095 177.9929 93 K 4.0715 8.4362 123.0294 58.8332 32.4974 178.2335 94 Y 4.2913 7.8862 119.0391 60.7159 39.0932 176.3883 95 F 4.7084 8.6748 114.5813 55.6652 39.6942 172.3417 96 G 3.6916 8.1126 115.6097 45.2615 0.0000 173.8069 97 S 4.3992 8.8846 117.5840 57.7131 61.3199 172.4384 98 V 3.8917 7.6298 124.1246 62.6110 32.7314 176.0870 99 C 4.5361 9.8614 120.2117 58.8343 34.1922 175.6679 100 E 3.1677 7.8561 122.6802 56.1533 32.0983 179.1342 101 L 3.7923 7.4095 118.0393 58.1066 43.2204 178.6635 102 D 4.4497 8.5563 118.8513 58.0671 40.3416 179.2471 103 I 3.7789 7.9605 119.6736 64.9158 36.9615 178.6335 104 I 3.6896 7.5011 118.9860 64.3771 37.2295 178.0741 105 F 4.2064 8.5419 117.2874 59.2778 38.9226 175.9121 106 N 5.4960 8.6683 115.8987 52.8918 40.1546 176.5456 107 F 4.3803 8.7863 116.1316 61.4336 37.8472 177.2038 108 E 3.3615 8.7655 116.7918 58.6471 29.6244 178.9391 109 K 4.5225 9.4117 119.6651 59.2255 32.5364 179.2594 110 A 4.2855 8.3802 120.2706 56.4644 18.4522 178.2151 111 Y 3.8744 9.4673 115.4743 60.5816 37.5621 179.6195 112 F 4.1273 7.7531 117.4362 61.1437 39.2745 177.8739 113 I 3.5139 8.4027 117.8482 65.3148 37.0623 177.5156 114 L 3.8624 8.7480 120.3822 58.9730 41.9741 179.1446 115 D 4.3352 8.7400 118.6622 57.0444 41.2273 177.8682 116 E 4.7650 8.7286 117.6319 56.1776 30.9665 176.2962 117 F 4.9528 9.4161 122.4613 59.1499 41.5011 174.7509 118 L 5.0429 7.7049 117.7154 53.1578 44.3878 175.3782 119 M 4.8406 8.7391 120.4591 55.1445 35.6601 174.9772 120 G 4.1175 9.9540 111.9466 46.8532 0.0000 173.8916 121 G 3.7027 9.8789 103.1291 45.5437 0.0000 173.0432 122 D 4.7094 7.9836 119.1896 53.1718 44.7599 173.6249 123 V 4.2578 8.1480 120.2354 62.3013 31.8640 176.0926 124 Q 4.3362 8.8417 125.9427 57.6899 29.3080 174.8677 125 D 4.8088 7.8260 116.4304 53.7378 45.0486 174.5742 126 T 4.3923 8.2039 107.0215 62.5754 71.0694 173.3728 127 S 3.9901 8.1857 116.7676 58.1602 62.3089 174.3381 128 K 3.7482 8.9422 128.1970 59.7778 32.2838 179.6618 129 K 3.9141 8.3601 117.3687 60.1809 32.7133 179.3907 130 S 4.0008 8.5505 113.6355 61.9574 62.4085 175.8906 131 V 3.6110 7.9966 121.3755 65.7941 31.1259 177.5701 132 L 3.6702 8.5573 115.1316 57.9965 41.8713 180.5918 133 K 4.3478 8.7699 118.3105 59.7624 32.4636 178.2230 134 A 3.9999 8.2637 121.5123 54.5903 18.0886 179.1215 135 I 3.5728 8.1819 117.1091 64.9236 38.4550 176.9947 136 E 4.0868 9.0184 120.0305 59.1508 28.7974 178.3389 137 Q 3.9803 8.4521 117.1266 59.2499 29.0525 179.3926 138 A 3.9822 8.1273 121.4158 55.4136 18.4004 179.0037 139 D 4.3017 8.0785 116.7523 57.8025 41.0330 179.3518 140 L 3.9467 7.4622 118.1320 57.8189 41.4048 179.3591 141 L 3.8848 7.6917 118.8035 58.3257 42.2991 178.1611 142 Q 4.0201 8.1350 118.7455 59.6168 28.7651 178.2424 143 E 3.9456 8.2933 119.0004 59.7758 29.5106 179.3118 144 E 4.4017 7.8474 116.6579 57.6850 29.4687 178.4743 145 D 4.5187 8.3664 119.7082 56.8850 41.2833 177.8522 146 E 4.3285 8.0585 118.1538 57.7364 30.2616 176.5792 147 S 4.5444 7.8449 118.0435 55.7306 62.5681 171.9138 148 P 4.2968 0.0000 0.0000 63.0749 30.5545 177.8244 *149 R 4.1254 7.6964 119.6640 57.2509 30.0134 177.2637 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 1 M 8.16 4.42 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 2 M 8.15 3.98 0.00 1.54 1.68 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.01 0.00 3 R 8.52 4.41 0.00 1.74 1.27 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 4 F 6.96 4.82 0.00 2.85 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 5 M 7.99 5.15 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 6 L 9.10 5.03 0.00 1.06 0.97 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.10 5.07 0.00 1.51 1.35 0.69 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.46 5.74 0.00 3.08 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 9 S 8.66 4.52 0.00 3.90 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 0.00 10 R 8.00 3.39 0.00 1.51 1.84 0.00 2.88 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 11 Q 7.66 4.16 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 12 G 8.55 4.04 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 0.00 13 K 7.63 4.46 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.32 7.81 14 L 8.54 4.50 0.00 1.63 1.60 0.95 0.84 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 15 R 9.23 4.61 0.00 1.62 1.88 0.00 3.40 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 16 L 7.09 4.56 0.00 1.69 1.39 0.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.81 4.90 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 18 K 8.01 4.41 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.58 1.75 7.81 19 W 8.89 5.12 0.00 3.24 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 20 Y 8.61 4.52 0.00 3.02 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 21 L 8.52 4.22 0.00 1.69 1.70 0.97 1.12 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 22 A 7.76 3.85 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 23 T 7.59 4.12 3.94 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 0.00 0.00 0.92 0.00 0.00 24 S 8.46 4.20 0.00 3.94 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 25 D 8.58 4.27 0.00 2.64 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 26 K 8.12 3.69 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 27 E 7.93 3.84 0.00 2.00 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 2.32 2.38 0.00 28 R 7.88 3.31 0.00 1.80 1.30 0.00 2.71 0.00 0.00 2.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 29 K 7.82 3.95 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.53 7.81 30 K 9.01 3.72 0.00 1.86 1.89 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.73 7.81 31 M 8.60 3.77 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.05 0.00 32 V 9.38 3.03 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 0.99 0.00 0.00 1.12 0.00 0.00 33 R 5.84 3.71 0.00 2.09 2.15 0.00 2.88 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 34 E 8.38 3.81 0.00 2.22 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 0.00 2.36 2.45 0.00 35 L 8.42 3.56 0.00 1.61 1.33 -0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.44 4.59 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.69 0.00 37 Q 8.32 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 V 7.50 3.68 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 0.80 0.00 0.00 0.91 0.00 0.00 39 V 8.86 3.50 2.36 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 0.88 0.00 0.00 0.91 0.00 0.00 40 L 8.39 4.27 0.00 1.91 1.93 1.02 1.54 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 41 A 7.83 4.00 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 42 R 8.14 4.28 0.00 1.92 1.95 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 43 K 8.49 4.20 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.39 7.81 44 P 0.00 4.45 0.00 2.16 2.19 0.00 3.78 0.00 0.00 3.67 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 45 K 8.19 4.01 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 M 7.09 4.16 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 47 C 8.24 4.50 0.00 2.90 2.92 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 48 S 8.11 5.43 0.00 3.24 4.19 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 0.00 0.00 0.00 0.00 49 F 7.92 5.89 0.00 2.91 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 50 L 8.51 4.86 0.00 1.61 1.41 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.90 4.92 0.00 1.93 1.91 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 2.27 2.33 0.00 52 W 9.15 4.70 0.00 3.28 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 53 R 8.29 2.89 0.00 0.67 0.66 0.00 2.96 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.14 0.00 54 D 7.68 4.83 0.00 2.70 2.65 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 55 L 7.86 4.55 0.00 1.57 1.57 0.82 0.75 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 56 K 9.06 4.91 0.00 1.54 1.60 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 57 V 8.48 4.50 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 0.84 0.00 0.00 1.01 0.00 0.00 58 V 8.94 5.34 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 1.67 0.00 0.00 0.90 0.00 0.00 59 Y 8.71 6.00 0.00 2.91 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 60 K 8.50 4.55 0.00 1.96 1.94 0.00 1.87 0.00 0.00 2.12 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.50 7.81 61 R 8.74 4.95 0.00 2.08 1.90 0.00 3.35 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 62 Y 9.60 4.46 0.00 3.16 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 63 A 8.42 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.39 4.38 0.00 3.88 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 65 L 8.18 4.60 0.00 1.70 1.66 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.15 5.51 0.00 2.83 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 67 F 8.85 4.86 0.00 2.96 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 68 C 9.06 6.16 0.00 2.80 2.80 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 69 C 8.28 5.36 0.00 2.87 2.96 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 70 A 7.83 5.18 0.73 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 71 I 9.35 5.03 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.33 0.82 0.00 0.00 72 E 8.76 4.32 0.00 1.86 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 2.30 2.44 0.00 73 G 8.59 3.85 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 0.00 0.00 0.00 74 Q 7.43 4.26 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 75 D 7.31 4.59 0.00 2.75 2.33 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 76 N 8.30 4.55 0.00 2.78 2.66 0.00 0.00 6.85 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 77 E 8.40 3.51 0.00 1.32 1.12 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 1.54 2.00 0.00 78 L 7.95 4.02 0.00 1.73 1.78 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.67 3.63 2.01 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 1.64 0.62 0.91 0.00 0.00 80 T 7.73 3.97 4.41 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 1.17 0.00 0.00 81 L 7.97 4.12 0.00 1.95 2.00 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.19 4.08 0.00 2.25 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 2.42 2.53 0.00 83 L 8.80 4.15 0.00 1.69 1.93 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.87 3.62 1.92 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 1.77 0.86 0.56 0.00 0.00 85 H 8.28 4.00 0.00 3.29 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.05 3.88 0.00 2.09 2.34 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 87 Y 8.41 4.62 0.00 3.10 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 88 V 7.58 3.23 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 -0.26 0.00 0.00 1.05 0.00 0.00 89 E 8.13 4.03 0.00 2.36 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 0.00 2.32 2.47 0.00 90 L 8.55 3.85 0.00 2.03 1.73 0.80 0.90 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 91 L 8.31 4.23 0.00 1.70 1.64 -0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.26 4.36 0.00 2.78 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 93 K 8.44 4.07 0.00 1.86 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 94 Y 7.89 4.29 0.00 3.00 3.23 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 95 F 8.67 4.71 0.00 3.00 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 96 G 8.11 3.69 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 0.00 0.00 0.00 97 S 8.88 4.40 0.00 4.09 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 98 V 7.63 3.89 2.12 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 0.73 0.00 0.00 0.51 0.00 0.00 99 C 9.86 4.54 0.00 2.88 2.80 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 0.00 100 E 7.86 3.17 0.00 2.05 1.80 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 2.35 2.33 0.00 101 L 7.41 3.79 0.00 1.84 1.63 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.56 4.45 0.00 2.41 2.40 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 0.00 103 I 7.96 3.78 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.92 0.00 0.00 104 I 7.50 3.69 1.87 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 1.59 0.76 0.67 0.00 0.00 105 F 8.54 4.21 0.00 3.14 3.20 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 0.00 0.00 0.00 0.00 106 N 8.67 5.50 0.00 3.18 3.19 0.00 0.00 6.55 7.96 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 0.00 107 F 8.79 4.38 0.00 3.55 3.41 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 0.00 108 E 8.77 3.36 0.00 2.50 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 2.81 2.84 0.00 109 K 9.41 4.52 0.00 2.31 2.07 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.77 7.81 110 A 8.38 4.29 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.47 3.87 0.00 2.92 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 0.00 112 F 7.75 4.13 0.00 3.40 3.07 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 0.00 0.00 0.00 0.00 113 I 8.40 3.51 2.32 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 1.12 0.43 1.18 0.00 0.00 114 L 8.75 3.86 0.00 1.10 1.63 0.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.74 4.34 0.00 2.67 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 0.00 116 E 8.73 4.76 0.00 2.15 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 2.34 2.40 0.00 117 F 9.42 4.95 0.00 2.77 3.01 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 0.00 118 L 7.70 5.04 0.00 1.48 1.37 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.74 4.84 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 120 G 9.95 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 0.00 121 G 9.88 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 0.00 122 D 7.98 4.71 0.00 2.63 2.52 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 0.00 123 V 8.15 4.26 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 1.02 0.00 0.00 0.87 0.00 0.00 124 Q 8.84 4.34 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.41 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 125 D 7.83 4.81 0.00 2.69 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 0.00 126 T 8.20 4.39 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 1.27 0.00 0.00 127 S 8.19 3.99 0.00 3.87 3.85 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 0.00 128 K 8.94 3.75 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 129 K 8.36 3.91 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 130 S 8.55 4.00 0.00 3.85 3.94 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 0.00 0.00 0.00 131 V 8.00 3.61 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 0.93 0.00 0.00 0.79 0.00 0.00 132 L 8.56 3.67 0.00 1.79 1.64 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.77 4.35 0.00 2.02 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 134 A 8.26 4.00 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 0.00 135 I 8.18 3.57 1.93 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 1.20 0.62 1.09 0.00 0.00 136 E 9.02 4.09 0.00 2.09 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 2.33 2.38 0.00 137 Q 8.45 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 138 A 8.13 3.98 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 0.00 139 D 8.08 4.30 0.00 2.94 2.76 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 0.00 0.00 0.00 140 L 7.46 3.95 0.00 1.95 1.73 0.92 0.47 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 0.00 141 L 7.69 3.88 0.00 1.61 1.81 0.92 0.65 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 0.00 142 Q 8.13 4.02 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 143 E 8.29 3.95 0.00 2.21 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 2.37 0.00 144 E 7.85 4.40 0.00 2.13 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 2.34 2.35 0.00 145 D 8.37 4.52 0.00 2.83 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 0.00 146 E 8.06 4.33 0.00 1.95 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 2.29 2.46 0.00 147 S 7.84 4.54 0.00 3.93 3.79 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 0.00 148 P 0.00 4.30 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *149 R 7.70 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.