NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2998 8.3049 120.3485 54.1755 33.6107 176.1869 2 N 3.9329 9.7075 110.8606 53.9776 35.4445 172.6186 3 E 3.9564 8.7650 118.0033 57.3921 30.2027 175.7163 4 L 4.7801 7.3894 119.6907 52.8457 40.9384 183.6645 5 V 3.6876 7.4841 113.7660 63.8744 32.2611 177.0535 6 D 4.3671 7.6796 120.0283 52.0662 42.3379 175.4606 7 T 3.9729 8.7267 117.8958 65.3174 68.7790 175.7646 8 T 3.8091 7.9531 118.9904 66.3727 68.4702 176.0459 9 E 4.1251 8.3867 119.4410 59.3585 29.5120 179.2157 10 M 4.1173 8.3800 119.1032 58.6316 31.9834 178.0508 11 Y 3.9723 8.6748 117.2062 61.2624 37.8960 178.8414 12 L 4.0839 7.6930 117.6154 57.9504 42.0007 179.3565 13 R 4.0574 8.4519 118.7164 60.0196 30.0437 178.4538 14 T 3.8665 8.6170 115.7416 67.0202 68.3051 176.4702 15 I 3.8263 7.6620 121.7609 64.2291 37.1567 177.6207 16 Y 3.9419 8.3635 120.9188 60.7010 38.5513 177.9810 17 D 4.3923 8.0724 119.2331 57.5565 41.1613 178.3002 18 L 4.0256 8.2657 119.7526 58.2550 41.6382 179.6968 19 E 4.0153 8.5562 118.5384 59.1501 29.1972 178.7940 20 E 4.1071 8.1786 118.4094 58.5847 29.8343 177.8584 21 E 4.2463 8.5853 117.4641 56.0544 30.3359 176.0921 22 G 3.7310 7.8343 106.2723 46.7411 0.0000 172.7131 23 V 4.4867 7.6832 116.5679 60.7996 35.3312 174.0613 24 T 4.3363 8.2201 118.8195 61.9595 69.3408 174.9982 25 P 4.6065 0.0000 0.0000 62.2039 29.5873 175.2452 26 L 4.4329 7.4805 123.8254 54.4746 43.3648 178.6194 27 R 3.8851 8.6536 121.2607 59.2331 29.9009 179.1764 28 A 3.9801 7.9728 120.3693 55.0177 18.3308 179.7459 29 R 3.7815 8.1211 116.7502 59.6700 30.1599 179.3986 30 I 3.6359 7.7003 118.6837 64.0114 36.9235 178.4048 31 A 3.9700 8.2835 124.4921 55.6629 18.2403 180.2211 32 E 3.8751 8.0712 116.8652 61.3512 29.6603 180.9322 33 R 4.0535 8.3506 119.5559 58.5041 30.1362 176.9895 34 L 4.3932 7.4011 114.5627 53.7037 42.3539 175.8155 35 D 4.4388 7.6696 116.7426 55.2907 39.9792 173.1772 36 Q 4.6584 8.0142 115.4613 53.8408 30.8038 176.3072 37 S 4.6480 8.3331 115.7403 57.3621 65.7473 175.1783 38 G 3.8582 8.6911 111.2430 48.1280 0.0000 174.0656 39 P 4.2956 0.0000 0.0000 64.9789 31.2384 178.2501 40 T 4.2075 7.3597 111.6383 65.4850 69.0905 177.4653 41 V 4.4558 8.0229 118.3558 64.7877 31.5261 179.4407 42 S 4.3868 8.4012 118.4817 62.9629 62.2331 178.5359 43 Q 4.1510 7.5336 121.9492 59.7628 28.8317 178.5848 44 T 3.7549 8.3003 117.1890 66.2990 68.3502 177.0549 45 V 3.4970 8.2476 120.4855 66.1195 31.5712 177.8297 46 S 4.4830 8.3180 114.6188 60.7536 62.2835 176.1084 47 R 3.8377 7.7971 120.7310 59.8150 29.9495 178.1810 48 M 4.2911 8.3738 117.3712 57.0884 31.8059 178.3591 49 E 4.2196 8.4107 120.2093 59.0821 29.6867 178.3356 50 R 4.2957 8.0424 115.2241 57.1867 30.3309 177.1930 51 D 4.9110 7.4198 116.6293 52.9198 42.1728 176.2213 52 G 3.8675 7.7888 106.9235 46.6168 0.0000 174.6441 53 L 4.5829 8.0992 121.5750 55.2609 43.6971 176.4503 54 L 5.5238 7.7567 115.9946 52.9907 46.3658 176.3533 55 R 4.5079 8.7050 115.7039 55.2186 32.9176 174.6749 56 V 4.0765 8.5097 124.0708 61.5505 31.4939 175.4515 57 A 4.3472 8.2209 132.0954 51.1431 20.0501 177.7706 58 G 3.6005 8.7464 105.3281 49.0911 0.0000 174.8226 59 D 4.2545 8.2924 121.8334 55.6705 41.2120 179.3380 60 R 4.0322 8.1611 116.9362 57.9052 29.0345 182.2809 *61 H 4.3710 8.1349 113.5662 54.7015 28.1952 180.6977 62 L 4.1986 8.5732 124.7893 54.7688 42.3060 176.6447 63 E 4.7663 8.8446 121.4475 54.3108 33.4596 175.1194 64 L 4.6679 8.4934 123.7943 54.9313 42.4252 177.2469 65 T 4.2692 9.2062 124.0029 63.2561 69.3524 176.2775 66 E 4.1349 9.1581 124.3857 62.3156 29.2796 180.5145 67 K 4.4126 8.0561 122.9145 59.5884 31.9155 182.5993 68 G 3.8544 8.0221 108.8018 48.4899 0.0000 176.6428 69 R 4.1052 8.5792 123.1472 60.4003 29.2085 180.6827 70 A 4.2069 7.5638 118.6875 55.5986 17.5592 179.0934 71 L 4.1717 8.3900 117.0902 56.4286 42.1069 178.0708 72 A 4.4494 7.6845 119.8157 54.9566 19.8702 179.0378 73 I 3.8484 8.0139 116.9531 64.1869 38.1028 178.0080 74 A 3.9692 7.8197 121.7799 55.2860 18.2641 179.8028 75 V 3.6944 7.2587 113.7657 66.3641 31.5032 178.0460 76 M 4.0879 7.8203 117.9466 57.5968 31.7274 178.6935 77 R 3.8783 7.7099 119.1069 59.0484 30.2190 178.5608 78 K 3.9004 8.4939 118.6586 59.8273 32.1031 178.2606 79 H 3.8727 8.3907 118.7152 59.9639 29.7878 177.2993 80 R 4.1102 8.1231 119.3119 59.0273 29.9023 179.1754 81 L 3.9836 8.5259 119.0744 57.8385 41.6656 179.4091 82 A 4.1202 8.3453 120.9787 55.2124 18.1852 179.4486 83 E 3.8460 8.0149 117.1194 59.4798 29.4770 179.9156 84 R 3.8881 7.8961 117.5869 59.1851 30.2141 178.4480 85 L 3.9667 7.9130 120.0898 58.6370 42.0215 179.2304 86 L 4.0413 8.5684 118.8350 57.6502 41.0186 179.1763 87 V 3.8032 7.6870 118.1143 65.8164 31.4399 177.3226 88 D 4.4350 8.6823 118.9332 58.5293 40.7963 178.8775 89 V 3.8548 7.7429 118.4725 65.1145 31.5927 178.0043 90 I 3.7733 8.4668 123.3687 62.7539 37.5053 177.4990 91 G 3.9180 7.6801 107.1075 45.5248 0.0000 173.4279 92 L 4.0882 8.1975 121.5104 53.4703 42.8374 175.1484 93 P 4.3449 0.0000 0.0000 62.8133 31.4998 177.0056 94 W 4.6355 8.9797 132.4880 60.4305 30.6744 176.3687 95 E 4.4749 8.3663 115.5015 57.5490 29.5511 177.2742 96 E 4.3207 8.6012 118.5287 57.4864 29.9241 178.1666 97 V 3.4350 7.8204 118.4720 66.4134 31.3063 176.8417 98 H 3.6660 8.1185 116.7275 59.5899 29.2958 176.7370 99 A 3.8057 7.7676 120.1105 54.6790 18.4429 178.9441 100 E 3.6682 7.5328 117.7217 59.4303 29.8102 178.9483 101 A 3.7586 7.9096 121.0199 54.9126 18.0844 178.9818 102 C 3.9470 7.7818 116.7542 61.9141 31.6169 175.2488 103 R 4.4489 7.6821 119.0201 58.2642 30.5230 178.4706 104 W 4.3913 8.4087 118.3541 59.9408 28.7157 178.0245 105 E 3.9497 8.1325 116.8084 59.6869 28.8467 178.3178 106 H 4.7305 8.4029 114.7551 56.4791 29.1987 175.9897 107 V 4.3417 7.7848 112.4705 60.7950 33.1055 175.3682 108 M 4.2603 7.9266 120.2535 54.8637 33.1646 175.8844 109 S 4.7920 8.1476 119.7785 56.8969 66.7873 175.1660 110 E 4.3531 8.4541 123.3062 59.1109 28.6429 179.4531 111 D 4.3458 7.9916 118.6768 57.1826 40.9522 178.8152 112 V 3.5706 7.7345 118.7244 65.9732 31.1289 177.5700 113 E 3.9430 8.4938 118.8422 59.8617 29.4143 179.6197 114 R 3.9862 7.9523 117.5692 59.6269 30.1391 179.3726 115 R 3.9920 7.7378 116.6524 59.1513 29.9490 179.1220 116 L 4.0939 7.9106 119.0018 57.5546 41.4919 179.4944 117 V 3.6562 8.1470 117.6120 65.7694 31.4304 177.0408 118 K 4.2282 7.7343 117.5561 58.2103 32.2427 178.5576 119 V 3.7401 8.5853 114.8215 63.7655 32.2485 177.4905 120 L 4.2327 7.6788 120.1243 54.8685 42.2687 177.5899 121 N 4.5202 9.0875 122.8959 55.5732 37.8460 174.3238 122 N 5.0394 7.6808 115.3650 49.7973 38.6849 174.3826 123 P 4.7541 0.0000 0.0000 61.4833 30.9650 174.9861 124 T 4.4752 7.7941 111.0317 62.6834 71.1714 174.9239 125 T 5.1135 7.5424 110.8276 58.7441 71.8746 173.5796 126 S 4.4606 8.9371 118.9090 57.1091 64.0888 173.2726 127 P 4.3920 0.0000 0.0000 66.0591 31.1943 177.4267 128 F 4.4872 8.4741 115.6552 57.8965 39.2265 177.8251 129 G 4.2272 8.1548 112.7096 45.9605 0.0000 175.0239 130 N 4.4614 7.8270 116.8042 53.3116 39.5712 173.1625 131 P 4.7762 0.0000 0.0000 62.9375 32.7652 176.5415 132 I 4.2961 8.2537 123.9106 59.3517 36.5837 174.0938 133 P 4.4039 0.0000 0.0000 63.4647 32.2999 176.9948 134 G 4.1649 8.6740 108.0733 45.7684 0.0000 176.3320 135 L 3.7978 7.8509 122.0918 58.6774 41.9569 180.3061 136 V 3.6001 8.0908 115.6491 63.9911 31.5688 179.4217 137 E 4.3521 8.3961 116.3735 56.7308 29.5031 177.9687 138 L 4.0738 7.9916 122.2111 58.9132 43.0296 176.8040 139 G 3.8482 6.6314 107.4684 45.7783 0.0000 174.8763 140 V 4.0268 7.4318 120.0537 61.1422 32.4100 175.7087 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 8.30 4.30 0.00 2.00 1.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 N 9.71 3.93 0.00 3.08 2.88 0.00 0.00 6.90 6.78 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 3 E 8.77 3.96 0.00 2.12 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 2.18 2.35 0.00 4 L 7.39 4.78 0.00 1.56 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.48 3.69 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 0.85 0.00 0.00 0.95 0.00 0.00 6 D 7.68 4.37 0.00 2.52 2.44 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 0.00 7 T 8.73 3.97 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 1.25 0.00 0.00 8 T 7.95 3.81 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 1.21 0.00 0.00 9 E 8.39 4.13 0.00 2.30 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 2.45 2.52 0.00 10 M 8.38 4.12 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 11 Y 8.67 3.97 0.00 3.12 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 12 L 7.69 4.08 0.00 1.89 1.82 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.45 4.06 0.00 2.14 2.02 0.00 3.22 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 14 T 8.62 3.87 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 15 I 7.66 3.83 2.09 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 1.42 0.85 0.91 0.00 0.00 16 Y 8.36 3.94 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.07 4.39 0.00 2.95 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 18 L 8.27 4.03 0.00 1.66 1.73 0.94 0.82 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 19 E 8.56 4.02 0.00 2.12 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 2.29 2.45 0.00 20 E 8.18 4.11 0.00 2.38 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 2.38 2.45 0.00 21 E 8.59 4.25 0.00 2.11 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 2.33 2.54 0.00 22 G 7.83 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 23 V 7.68 4.49 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 0.83 0.00 0.00 1.01 0.00 0.00 24 T 8.22 4.34 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 25 P 0.00 4.61 0.00 2.18 2.09 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 26 L 7.48 4.43 0.00 1.72 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.65 3.89 0.00 1.86 2.00 0.00 3.17 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 28 A 7.97 3.98 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 29 R 8.12 3.78 0.00 1.93 1.95 0.00 3.28 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 30 I 7.70 3.64 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.40 0.00 0.00 31 A 8.28 3.97 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 32 E 8.07 3.88 0.00 2.01 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 2.24 2.18 0.00 33 R 8.35 4.05 0.00 1.79 1.91 0.00 3.22 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 34 L 7.40 4.39 0.00 1.50 1.59 0.39 1.02 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 35 D 7.67 4.44 0.00 2.76 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 36 Q 8.01 4.66 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 37 S 8.33 4.65 0.00 4.06 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 38 G 8.69 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.30 0.00 2.18 2.14 0.00 3.54 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 2.13 2.20 0.00 40 T 7.36 4.21 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 1.24 0.00 0.00 41 V 8.02 4.46 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 1.22 0.00 0.00 1.00 0.00 0.00 42 S 8.40 4.39 0.00 3.74 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 43 Q 7.53 4.15 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 44 T 8.30 3.75 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 0.31 0.00 0.00 45 V 8.25 3.50 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 1.07 0.00 0.00 1.14 0.00 0.00 46 S 8.32 4.48 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.80 3.84 0.00 2.09 2.04 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 48 M 8.37 4.29 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 49 E 8.41 4.22 0.00 2.15 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 2.32 2.48 0.00 50 R 8.04 4.30 0.00 1.93 1.96 0.00 3.10 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 51 D 7.42 4.91 0.00 2.67 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 52 G 7.79 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 0.00 0.00 0.00 53 L 8.10 4.58 0.00 1.71 1.72 0.91 0.41 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 54 L 7.76 5.52 0.00 1.48 1.64 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.70 4.51 0.00 1.84 1.98 0.00 2.76 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 56 V 8.51 4.08 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 0.84 0.00 0.00 1.09 0.00 0.00 57 A 8.22 4.35 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 58 G 8.75 3.60 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 0.00 0.00 0.00 59 D 8.29 4.25 0.00 2.68 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 60 R 8.16 4.03 0.00 2.04 1.94 0.00 3.32 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 1.46 1.43 0.00 *61 H 8.13 4.37 0.00 2.91 2.91 0.00 7.20 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.57 4.20 0.00 1.55 1.69 0.98 0.93 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 63 E 8.84 4.77 0.00 2.04 1.78 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 2.20 2.47 0.00 64 L 8.49 4.67 0.00 1.51 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 T 9.21 4.27 4.43 0.00 0.00 0.00 0.00 0.00 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 66 E 9.16 4.13 0.00 1.97 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 2.32 1.98 0.00 67 K 8.06 4.41 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 68 G 8.02 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 69 R 8.58 4.11 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 70 A 7.56 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.17 0.00 1.77 1.69 0.94 1.05 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 72 A 7.68 4.45 1.60 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 0.00 0.00 73 I 8.01 3.85 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 1.07 0.00 0.00 74 A 7.82 3.97 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 75 V 7.26 3.69 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 0.98 0.00 0.00 1.08 0.00 0.00 76 M 7.82 4.09 0.00 1.52 1.74 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.37 0.00 77 R 7.71 3.88 0.00 2.15 2.08 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 78 K 8.49 3.90 0.00 1.93 1.85 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.77 1.74 7.81 79 H 8.39 3.87 0.00 3.44 3.31 0.00 5.78 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 80 R 8.12 4.11 0.00 1.96 1.94 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 81 L 8.53 3.98 0.00 2.02 1.74 0.93 0.83 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 82 A 8.35 4.12 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 83 E 8.01 3.85 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 84 R 7.90 3.89 0.00 2.06 2.00 0.00 3.36 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 85 L 7.91 3.97 0.00 1.84 1.99 0.99 0.71 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 86 L 8.57 4.04 0.00 1.56 1.56 0.42 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.69 3.80 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 1.17 0.00 0.00 1.06 0.00 0.00 88 D 8.68 4.44 0.00 2.74 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 89 V 7.74 3.85 2.27 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 1.11 0.00 0.00 0.97 0.00 0.00 90 I 8.47 3.77 2.04 0.00 0.00 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 1.34 0.84 0.98 0.00 0.00 91 G 7.68 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 0.00 0.00 0.00 92 L 8.20 4.09 0.00 1.50 1.53 0.98 0.83 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 93 P 0.00 4.34 0.00 2.32 2.23 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 94 W 8.98 4.64 0.00 3.34 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 95 E 8.37 4.47 0.00 2.11 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 0.00 2.65 2.62 0.00 96 E 8.60 4.32 0.00 2.10 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 2.28 2.32 0.00 97 V 7.82 3.43 2.25 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 0.96 0.00 0.00 0.95 0.00 0.00 98 H 8.12 3.67 0.00 2.76 3.13 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.77 3.81 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 0.00 100 E 7.53 3.67 0.00 1.88 1.74 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 1.47 1.47 0.00 101 A 7.91 3.76 0.98 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 0.00 0.00 102 C 7.78 3.95 0.00 2.95 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 0.00 103 R 7.68 4.45 0.00 2.18 2.11 0.00 3.29 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 104 W 8.41 4.39 0.00 3.26 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 0.00 105 E 8.13 3.95 0.00 2.19 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 2.40 2.07 0.00 106 H 8.40 4.73 0.00 3.17 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.78 4.34 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 0.67 0.00 0.00 0.95 0.00 0.00 108 M 7.93 4.26 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 109 S 8.15 4.79 0.00 4.06 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 0.00 110 E 8.45 4.35 0.00 2.03 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 2.40 2.26 0.00 111 D 7.99 4.35 0.00 2.67 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 0.00 112 V 7.73 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 113 E 8.49 3.94 0.00 2.18 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 2.35 2.67 0.00 114 R 7.95 3.99 0.00 2.01 2.00 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 115 R 7.74 3.99 0.00 2.07 1.99 0.00 3.28 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 116 L 7.91 4.09 0.00 1.97 1.73 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.15 3.66 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 0.84 0.00 0.00 1.00 0.00 0.00 118 K 7.73 4.23 0.00 1.97 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.82 7.81 119 V 8.59 3.74 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 0.82 0.00 0.00 1.00 0.00 0.00 120 L 7.68 4.23 0.00 1.91 1.62 0.98 0.89 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 0.00 121 N 9.09 4.52 0.00 2.74 2.74 0.00 0.00 6.41 7.99 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 0.00 122 N 7.68 5.04 0.00 2.68 2.59 0.00 0.00 6.67 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.75 0.00 2.05 2.06 0.00 3.60 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 2.19 2.08 0.00 124 T 7.79 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 125 T 7.54 5.11 4.38 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 1.31 0.00 0.00 126 S 8.94 4.46 0.00 4.09 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 0.00 127 P 0.00 4.39 0.00 2.28 2.28 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 128 F 8.47 4.49 0.00 2.86 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 0.00 129 G 8.15 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 0.00 0.00 0.00 0.00 130 N 7.83 4.46 0.00 2.66 2.75 0.00 0.00 6.57 7.97 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 0.00 131 P 0.00 4.78 0.00 2.11 2.08 0.00 3.89 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 2.04 2.05 0.00 132 I 8.25 4.30 1.95 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 1.28 0.67 0.91 0.00 0.00 133 P 0.00 4.40 0.00 2.29 2.21 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.76 0.00 134 G 8.67 4.16 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 0.00 0.00 0.00 135 L 7.85 3.80 0.00 1.74 1.73 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.09 3.60 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 0.80 0.00 0.00 0.93 0.00 0.00 137 E 8.40 4.35 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 138 L 7.99 4.07 0.00 1.63 2.00 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 139 G 6.63 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 0.00 140 V 7.43 4.03 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.