NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3973 8.3049 120.3436 55.3392 33.3747 174.8335 2 K 4.1008 7.8975 122.7929 54.7530 35.5846 175.2935 3 T 3.4265 8.4374 121.4144 65.5948 70.1523 175.1287 4 Y 3.7871 6.6655 119.6508 57.7796 36.7300 173.5787 5 V 4.2687 7.3734 122.6244 60.1330 33.3584 174.5334 6 P 4.4048 0.0000 0.0000 62.4545 31.9353 176.1680 7 K 4.3880 8.2071 119.9983 54.8772 33.5385 176.5983 8 Q 4.1387 8.4999 119.2496 56.7493 29.6037 177.2501 9 V 4.4822 8.1484 117.3437 61.0054 32.2128 174.8636 10 E 4.6561 8.6126 126.4759 54.1274 31.7948 174.1498 11 P 4.2809 0.0000 0.0000 63.4454 31.7951 175.3714 12 R 4.5578 8.6873 124.1364 54.8321 30.9843 175.6003 13 W 4.9730 9.1187 126.5489 56.8681 30.6330 175.6065 14 V 4.6721 8.7406 120.4873 61.7557 35.5867 173.1060 15 L 5.2523 8.4588 124.6345 53.3819 45.3063 174.7544 16 I 4.7591 8.5975 125.8882 59.6768 41.2404 174.1167 17 D 4.3124 8.4763 122.7768 57.0325 43.6379 179.1436 18 A 3.6321 7.1691 121.3176 53.4584 16.0712 177.8292 19 E 4.1200 8.3457 123.2654 58.7681 30.4607 178.6924 20 G 3.9124 7.9668 106.6641 45.3486 0.0000 173.2285 21 K 4.4578 7.5656 122.0033 55.1226 34.7706 175.8152 22 T 4.3724 8.2988 120.8736 63.1575 69.3854 173.7256 23 L 3.9506 8.8066 129.9849 57.3785 42.2278 176.0235 24 G 4.4372 9.3996 121.2873 46.2627 0.0000 175.7482 25 R 3.4175 7.6962 117.8959 57.8902 30.2328 178.3214 26 L 4.2162 7.8625 119.5610 57.4843 42.4360 178.1250 27 A 4.0054 8.0470 120.2090 55.5603 18.1808 179.1826 28 T 3.8037 8.6357 115.0695 67.1049 68.6069 176.7342 29 K 3.9725 7.9594 119.3047 59.5523 32.1106 179.2743 30 I 3.7894 7.9508 119.1694 63.2102 36.8074 178.0391 31 A 4.1601 7.7773 122.0898 54.9745 18.9491 179.5941 32 T 3.7146 7.6009 112.6108 66.4978 68.8209 176.6188 33 L 4.1427 8.0274 121.2292 57.6656 41.4931 179.2931 34 L 3.9959 7.2905 117.9976 59.3926 42.2599 178.5835 35 R 4.6368 8.5802 121.4186 55.6931 32.9510 176.9605 36 G 4.2291 7.6650 107.3171 46.7079 0.0000 175.7905 37 K 3.9162 6.4435 119.0190 58.9516 32.3607 176.6384 38 H 4.4764 7.7005 113.0166 56.1646 29.3260 175.0079 39 R 4.6669 8.5509 118.8893 53.3636 30.9047 175.0498 40 P 4.2793 0.0000 0.0000 64.7158 31.3836 176.6818 41 D 4.3634 8.6419 118.4596 57.4218 41.4844 176.3425 42 W 4.3598 8.2289 126.9485 55.3045 31.6361 175.4037 43 T 3.7950 6.9685 121.5729 61.6102 69.8155 172.0782 44 P 3.5782 0.0000 0.0000 64.7922 31.1034 176.7312 45 N 4.9427 7.4191 115.6661 51.6154 37.6574 175.5934 46 V 4.1969 7.1357 114.4183 61.6946 35.6651 172.1512 47 A 3.6410 8.0478 126.5316 52.4058 14.8484 176.9279 48 M 4.9173 8.1403 123.7943 54.9124 31.7340 176.0817 49 G 4.7699 7.7187 105.4857 43.7039 0.0000 173.0613 50 D 5.1741 7.7336 119.0264 53.9764 41.9947 176.3700 51 F 4.0639 8.6577 120.1062 56.7588 40.3091 174.6861 52 V 4.4281 7.9776 124.4927 61.4937 33.6747 174.8878 53 V 4.9276 8.3678 127.3866 61.0327 32.7932 174.0478 54 V 4.4954 8.5640 127.5707 62.3495 32.7729 174.9117 55 V 4.7489 7.9766 125.1762 60.0597 34.7624 174.6202 56 N 4.3405 9.2144 116.9319 53.3826 37.3207 175.4028 57 A 4.4762 8.4833 133.5694 49.7181 18.0072 179.3692 58 D 3.7151 9.6440 117.6063 57.1889 40.0275 171.8262 59 K 3.7207 7.2758 120.8116 56.3824 30.3864 178.3812 60 I 3.7857 6.9287 123.5320 62.7441 33.7442 174.7523 61 R 3.9780 7.9404 127.5311 56.7282 30.7146 177.1411 62 V 4.4507 7.9839 118.3205 60.9873 33.3072 173.8831 63 T 3.9315 8.8194 116.4940 63.2193 69.4985 174.5709 64 G 3.9033 7.7180 107.4437 46.6173 0.0000 175.4460 65 K 4.5555 8.4067 126.8480 56.0251 32.6974 177.4743 66 K 3.9526 7.6640 121.0413 59.5356 32.1768 177.4168 67 L 4.2364 7.8140 118.6890 55.3561 41.8401 175.2234 68 E 3.6657 8.8796 126.5246 54.8001 27.0139 172.8733 69 Q 5.3386 8.0314 130.0212 56.2938 27.4681 174.0543 70 K 4.2661 7.9185 121.8522 56.1189 33.2895 175.8551 71 I 5.1048 8.3642 128.2781 59.7501 39.6396 174.7660 72 Y 4.3597 9.9335 127.4551 57.6253 39.0778 174.8115 73 T 5.1945 8.5549 113.9514 59.9297 71.6140 173.4337 74 R 4.7834 9.0104 123.5368 54.4685 33.7151 173.7429 75 Y 5.4046 8.7053 124.3422 56.0101 41.1199 175.4327 76 S 4.1364 9.1718 123.2033 56.9164 65.5895 174.7003 77 G 3.2828 8.9550 108.6769 47.8573 0.0000 173.0463 78 Y 4.0550 7.5251 117.7195 55.0904 39.4040 174.7183 79 P 4.4096 0.0000 0.0000 64.0771 31.9222 176.2844 80 G 3.9982 8.9118 108.3771 46.8780 0.0000 173.6536 81 G 4.5356 7.8223 105.6743 44.6827 0.0000 174.0330 82 L 5.0829 8.0398 123.1885 53.2171 43.3120 175.2439 83 K 4.5874 9.3169 127.3249 55.0562 34.0625 175.9316 84 K 5.0430 8.6680 123.8064 54.7378 34.4087 175.6889 85 I 4.7220 9.2258 125.7167 58.7796 40.8003 173.8126 86 P 5.4758 0.0000 0.0000 61.4305 32.6473 176.8128 87 L 3.6434 8.7504 120.8665 59.1188 41.7729 178.4461 88 E 3.7429 8.3359 116.4921 59.9351 29.3289 179.1730 89 K 3.8207 8.0124 117.0556 60.2963 32.1044 178.9937 90 M 3.9654 7.3575 117.4250 58.2334 31.8617 178.6836 91 L 4.0563 7.7055 117.6795 57.8180 42.0576 178.7068 92 A 4.2831 7.9521 119.6001 54.1841 18.2883 177.7625 93 T 4.1293 7.4998 111.4460 62.6440 69.9187 173.0040 94 H 4.9520 9.0898 126.6063 57.5834 24.6081 174.5770 95 P 4.3924 0.0000 0.0000 65.6032 31.9020 178.1610 96 E 4.0337 8.2296 116.9309 59.0827 29.2626 179.0704 97 R 4.2235 7.6858 120.1632 58.5642 29.8147 178.1394 98 V 3.6680 7.4741 117.8878 66.3442 31.4047 177.8512 99 L 4.0787 7.9064 119.0472 58.0733 41.7800 178.0980 100 E 4.1041 8.4319 118.7749 60.2318 29.3783 178.6919 101 H 4.1911 9.3401 118.6065 58.7546 29.8095 176.7592 102 A 4.0564 7.8559 122.3421 55.6503 18.4736 179.8266 103 V 3.7284 7.9287 110.4640 64.3320 31.7063 178.3361 104 K 3.8972 7.8222 118.3504 59.6809 31.5964 179.0355 105 G 3.7281 7.6053 100.1511 45.4686 0.0000 173.3871 106 M 4.8530 8.0545 117.5172 54.4400 33.9385 174.9404 107 L 4.8426 7.5958 117.9790 51.7970 44.9269 174.8282 108 P 4.3630 0.0000 0.0000 63.0081 31.7276 177.6075 109 K 4.0955 8.5366 119.5110 58.2874 33.5755 178.0678 110 G 3.8972 7.7054 107.0983 43.7212 0.0000 171.8514 111 P 4.3140 0.0000 0.0000 65.5698 31.5089 178.0201 112 L 4.1497 7.9125 119.8085 58.0744 42.2613 178.6779 113 G 4.4360 8.4871 106.7812 47.0933 0.0000 174.8002 114 R 4.2962 7.5828 115.3032 57.3846 30.2742 178.4084 115 R 4.0344 8.2136 120.8982 59.3262 30.0392 177.9748 116 L 3.8234 7.9323 118.4036 57.9526 41.4268 178.8844 117 F 4.0604 7.4664 118.3291 61.5785 39.2296 177.0316 118 K 3.9362 7.8136 116.9572 59.0082 32.4410 178.4766 119 R 3.4898 7.7428 119.3899 54.8631 29.2236 177.0962 120 L 4.4214 7.0694 120.6174 54.5173 44.1956 174.1820 121 K 4.4122 8.7465 127.0733 54.6565 34.1847 175.9664 122 V 4.8134 7.8525 123.9053 61.3782 34.4519 173.7436 123 Y 4.9986 8.6851 122.8723 56.5510 42.3238 175.3403 124 A 4.9516 8.7716 119.4877 51.7256 19.8583 177.9120 125 G 3.9084 7.7821 104.7936 47.3551 0.0000 176.8387 126 P 4.5932 0.0000 0.0000 61.3049 31.2494 177.3944 127 D 4.2812 9.0082 109.7935 55.0878 36.5370 174.1765 128 H 3.2767 8.0447 114.7411 54.6296 29.1863 175.1530 129 P 4.3260 0.0000 0.0000 62.8316 29.3105 177.3728 130 H 4.7038 7.3796 113.5751 55.2620 31.7447 175.3016 131 Q 4.4948 8.3759 127.8507 55.4834 28.1526 175.8742 132 A 4.2007 6.9871 113.9003 51.6426 20.0782 177.2728 133 Q 3.7026 7.9487 121.2730 57.8824 28.8241 172.3763 134 R 5.5349 8.1360 119.2827 55.8261 29.9520 172.6176 135 P 4.3919 0.0000 0.0000 62.5632 31.6271 175.4273 136 E 4.1297 8.5751 122.0256 56.9964 29.9744 175.9754 137 K 4.5348 9.1353 126.7009 54.7622 34.1004 176.9678 138 L 4.5812 8.0191 123.0953 53.5783 41.9616 177.3591 *139 E 4.1515 8.0107 117.2639 56.0143 30.3597 177.1067 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 4.40 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 2 K 7.90 4.10 0.00 1.52 1.32 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.53 7.81 3 T 8.44 3.43 4.10 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 0.00 0.00 1.15 0.00 0.00 4 Y 6.67 3.79 0.00 3.06 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 4.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.40 0.00 2.22 2.32 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 7 K 8.21 4.39 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 8 Q 8.50 4.14 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 9 V 8.15 4.48 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 0.73 0.00 0.00 0.99 0.00 0.00 10 E 8.61 4.66 0.00 1.89 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 0.00 2.20 2.36 0.00 11 P 0.00 4.28 0.00 2.29 2.35 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 2.12 2.06 0.00 12 R 8.69 4.56 0.00 2.02 2.10 0.00 3.38 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 13 W 9.12 4.97 0.00 3.16 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 14 V 8.74 4.67 2.14 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 0.97 0.00 0.00 1.00 0.00 0.00 15 L 8.46 5.25 0.00 1.81 1.46 0.80 0.79 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 16 I 8.60 4.76 1.89 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 1.13 1.22 0.94 0.00 0.00 17 D 8.48 4.31 0.00 2.72 2.59 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 18 A 7.17 3.63 1.43 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 0.00 0.00 0.00 19 E 8.35 4.12 0.00 2.20 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 2.31 2.66 0.00 20 G 7.97 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 0.00 0.00 0.00 21 K 7.57 4.46 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 22 T 8.30 4.37 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 1.22 0.00 0.00 23 L 8.81 3.95 0.00 1.61 1.73 0.99 1.29 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 24 G 9.40 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 0.00 0.00 0.00 0.00 25 R 7.70 3.42 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 26 L 7.86 4.22 0.00 1.79 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.05 4.01 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 28 T 8.64 3.80 4.46 0.00 0.00 0.00 0.00 0.00 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 29 K 7.96 3.97 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 I 7.95 3.79 1.98 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 1.46 0.90 0.89 0.00 0.00 31 A 7.78 4.16 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 32 T 7.60 3.71 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 1.05 0.00 0.00 33 L 8.03 4.14 0.00 1.88 1.70 0.95 0.59 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 34 L 7.29 4.00 0.00 1.76 1.68 0.81 0.91 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 35 R 8.58 4.64 0.00 1.49 1.65 0.00 3.00 0.00 0.00 2.94 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 36 G 7.67 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 37 K 6.44 3.92 0.00 1.43 1.46 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.58 0.99 7.81 38 H 7.70 4.48 0.00 3.16 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.55 4.67 0.00 2.02 2.22 0.00 2.95 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 40 P 0.00 4.28 0.00 2.21 2.26 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 41 D 8.64 4.36 0.00 2.71 2.84 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 42 W 8.23 4.36 0.00 3.28 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 43 T 6.97 3.80 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 1.02 0.00 0.00 44 P 0.00 3.58 0.00 2.10 2.23 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 45 N 7.42 4.94 0.00 2.76 2.83 0.00 0.00 5.80 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.14 4.20 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 0.56 0.00 0.00 0.89 0.00 0.00 47 A 8.05 3.64 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 48 M 8.14 4.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 49 G 7.72 4.77 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 0.00 50 D 7.73 5.17 0.00 2.68 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 51 F 8.66 4.06 0.00 1.68 1.76 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 52 V 7.98 4.43 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 0.91 0.00 0.00 0.90 0.00 0.00 53 V 8.37 4.93 2.31 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 1.22 0.00 0.00 1.33 0.00 0.00 54 V 8.56 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 55 V 7.98 4.75 2.16 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 0.78 0.00 0.00 1.02 0.00 0.00 56 N 9.21 4.34 0.00 2.85 2.97 0.00 0.00 7.32 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 57 A 8.48 4.48 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 0.00 0.00 0.00 0.00 0.00 58 D 9.64 3.72 0.00 2.88 2.86 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 59 K 7.28 3.72 0.00 2.08 1.94 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.46 7.81 60 I 6.93 3.79 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 1.00 0.00 0.00 61 R 7.94 3.98 0.00 2.00 1.90 0.00 3.33 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 62 V 7.98 4.45 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 0.67 0.00 0.00 0.96 0.00 0.00 63 T 8.82 3.93 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 1.22 0.00 0.00 64 G 7.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.41 4.56 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 66 K 7.66 3.95 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.61 7.81 67 L 7.81 4.24 0.00 1.61 1.61 0.93 0.87 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 68 E 8.88 3.67 0.00 2.49 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 2.19 2.38 0.00 69 Q 8.03 5.34 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 70 K 7.92 4.27 0.00 1.94 2.03 0.00 1.48 0.00 0.00 1.72 0.00 0.00 3.37 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.79 1.76 7.81 71 I 8.36 5.10 1.91 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 1.39 0.96 0.99 0.00 0.00 72 Y 9.93 4.36 0.00 2.97 2.86 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 73 T 8.55 5.19 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 1.24 0.00 0.00 74 R 9.01 4.78 0.00 1.80 1.87 0.00 3.10 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 75 Y 8.71 5.40 0.00 2.87 2.86 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 76 S 9.17 4.14 0.00 3.86 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 77 G 8.95 3.28 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 0.00 0.00 0.00 0.00 78 Y 7.53 4.06 0.00 3.08 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 79 P 0.00 4.41 0.00 2.24 2.11 0.00 4.04 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 2.08 2.02 0.00 80 G 8.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 4.54 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 82 L 8.04 5.08 0.00 1.76 1.68 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.32 4.59 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.44 7.81 84 K 8.67 5.04 0.00 1.64 1.75 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.46 7.81 85 I 9.23 4.72 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.88 0.00 0.00 86 P 0.00 5.48 0.00 2.21 2.18 0.00 3.88 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 2.05 1.91 0.00 87 L 8.75 3.64 0.00 1.92 1.69 0.97 0.76 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 88 E 8.34 3.74 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 2.40 2.53 0.00 89 K 8.01 3.82 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.50 7.81 90 M 7.36 3.97 0.00 1.60 1.84 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 1.59 2.40 0.00 91 L 7.71 4.06 0.00 1.72 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.95 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.50 4.13 4.15 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 0.00 0.00 1.22 0.00 0.00 94 H 9.09 4.95 0.00 3.38 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.39 0.00 2.27 2.46 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 96 E 8.23 4.03 0.00 2.13 2.26 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 2.37 2.30 0.00 97 R 7.69 4.22 0.00 1.98 2.20 0.00 3.19 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 98 V 7.47 3.67 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 0.97 0.00 0.00 0.80 0.00 0.00 99 L 7.91 4.08 0.00 1.76 1.68 0.95 1.00 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 0.00 100 E 8.43 4.10 0.00 2.24 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 0.00 2.42 2.41 0.00 101 H 9.34 4.19 0.00 3.44 3.60 0.00 5.62 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 0.00 102 A 7.86 4.06 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 0.00 103 V 7.93 3.73 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 0.80 0.00 0.00 1.14 0.00 0.00 104 K 7.82 3.90 0.00 1.52 1.77 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.48 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.09 0.95 7.81 105 G 7.61 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 0.00 106 M 8.05 4.85 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 107 L 7.60 4.84 0.00 1.62 1.55 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.36 0.00 2.20 2.02 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 109 K 8.54 4.10 0.00 1.84 1.90 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 110 G 7.71 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.31 0.00 2.23 2.19 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 112 L 7.91 4.15 0.00 1.77 1.70 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.49 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 0.00 0.00 0.00 0.00 114 R 7.58 4.30 0.00 2.01 2.04 0.00 3.07 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 115 R 8.21 4.03 0.00 1.97 2.04 0.00 3.12 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 1.58 1.66 0.00 116 L 7.93 3.82 0.00 1.87 1.66 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.47 4.06 0.00 3.07 3.31 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 0.00 118 K 7.81 3.94 0.00 1.89 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.70 7.81 119 R 7.74 3.49 0.00 1.19 0.66 0.00 2.21 0.00 0.00 2.76 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.00 120 L 7.07 4.42 0.00 1.34 1.37 0.66 0.61 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 0.00 121 K 8.75 4.41 0.00 2.03 1.75 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.67 1.45 7.81 122 V 7.85 4.81 1.95 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 0.86 0.00 0.00 0.87 0.00 0.00 123 Y 8.69 5.00 0.00 2.99 2.86 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 0.00 124 A 8.77 4.95 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 0.00 125 G 7.78 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 0.00 0.00 0.00 126 P 0.00 4.59 0.00 2.21 1.30 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 127 D 9.01 4.28 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.04 3.28 0.00 3.21 3.27 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.33 0.00 2.09 1.99 0.00 2.71 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 130 H 7.38 4.70 0.00 3.30 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.38 4.49 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 132 A 6.99 4.20 0.05 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 0.00 0.00 133 Q 7.95 3.70 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.72 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 134 R 8.14 5.53 0.00 2.04 2.06 0.00 3.21 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 135 P 0.00 4.39 0.00 2.01 2.15 0.00 4.00 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 136 E 8.58 4.13 0.00 1.99 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 2.54 0.00 137 K 9.14 4.53 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 138 L 8.02 4.58 0.00 1.58 1.57 0.93 0.91 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 *139 E 8.01 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.