NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2263 8.2649 123.5814 50.3788 20.8300 177.2380 3 K 4.3695 8.4745 117.4159 56.0333 30.5515 173.7612 4 E 4.7527 7.6442 117.3147 55.4606 31.2221 174.4847 5 P 4.6011 0.0000 0.0000 64.0069 32.3163 176.3498 6 C 4.5798 7.6999 116.6640 58.9219 32.7486 173.9588 7 V 4.1805 7.8000 116.1103 64.3385 32.5800 177.0124 8 E 4.0189 8.1592 117.8309 59.4701 28.8464 179.4546 9 S 4.1665 8.0584 113.7866 61.3188 63.0504 176.2566 10 L 4.2527 7.9884 122.2698 56.8645 41.1590 179.4231 11 V 3.6673 7.4635 119.1261 66.0855 31.0781 178.2377 12 S 4.2015 8.0548 113.5239 61.6102 62.7133 176.2466 13 Q 3.8791 7.5639 121.2698 58.7298 28.2589 177.5210 14 Y 4.3307 8.2751 121.9771 59.6255 39.1170 177.4925 15 F 4.1877 8.1510 121.9772 61.1503 39.0588 176.3092 16 Q 4.5085 7.5621 114.4526 56.0818 28.4680 178.0400 17 T 3.6823 7.3815 116.0727 66.7417 68.5017 176.8372 18 V 3.8707 7.3326 118.8562 65.2088 31.5906 177.9894 19 T 3.7367 7.0283 115.2299 66.9707 68.1594 175.8371 20 D 4.4398 7.6554 119.9693 56.7769 40.6620 178.2511 21 Y 4.5084 7.1440 120.7252 60.1177 38.7494 178.3468 22 G 3.4761 8.3277 106.7689 47.3883 0.0000 175.9514 23 K 3.9583 7.6576 120.9712 59.4992 31.5850 179.0941 24 D 4.5913 7.8343 119.9654 56.8321 40.2336 178.7559 25 L 3.6996 7.3719 119.0412 57.8935 41.5434 179.4213 26 M 4.0776 8.0162 118.7512 58.2701 31.3744 178.6131 27 E 3.9484 8.1646 118.9124 59.3010 29.6988 179.5173 28 K 4.0261 7.6100 118.3145 59.1357 31.8708 179.5553 29 V 3.7572 7.1718 117.2512 65.5402 31.5762 177.8682 30 K 4.3730 8.2094 117.1455 57.0508 32.5549 177.3357 31 S 4.5326 7.1876 113.4140 55.3909 62.3293 172.0708 32 P 4.6086 0.0000 0.0000 62.5680 32.4693 175.6284 33 E 4.6444 8.2318 114.6388 54.4773 32.3348 175.0101 34 L 4.4794 8.3181 121.2515 53.8316 43.8365 175.2023 35 Q 4.7068 8.4867 125.9467 54.3756 31.4948 175.2141 36 A 4.6580 8.2374 117.6245 53.1964 20.5971 178.1164 37 E 4.6301 8.4011 116.2073 58.1023 29.5094 178.9953 38 A 4.0933 7.9001 121.5680 55.1220 18.4185 178.9505 39 K 4.3037 8.0066 115.6745 58.1225 32.5742 179.2994 40 S 4.2782 7.9110 115.1401 61.4610 62.8779 175.8599 41 Y 4.1352 7.9155 121.8929 60.2732 38.2490 177.2537 42 F 3.8933 8.0494 120.7683 60.9239 39.3520 176.9909 43 E 3.9771 8.1130 117.6430 58.9510 29.5017 178.5866 44 K 4.0407 7.3677 117.8026 59.0997 32.4131 179.1239 45 S 3.9374 7.5143 113.1000 60.9734 62.2134 176.0425 46 K 3.8304 7.2368 122.4384 59.0998 31.9680 178.4291 47 E 4.1220 8.1564 118.2790 58.1106 29.1684 177.9067 48 Q 4.5057 7.2152 116.3154 55.6583 29.3712 176.8839 49 L 4.0617 7.4625 123.0773 58.4373 42.3637 178.7491 50 T 3.8962 7.7406 112.8395 64.3757 67.5676 173.7542 51 P 4.5287 0.0000 0.0000 63.4573 31.4332 176.8442 52 L 4.5580 7.3389 118.4668 56.9246 41.6637 178.4573 53 I 3.9540 7.4676 119.8453 63.9732 37.6350 177.9104 54 K 4.2241 8.0784 117.5660 57.6009 32.1131 178.7527 55 K 4.1182 7.9737 120.0452 58.3601 32.3385 177.8864 56 A 4.3564 7.8328 120.4742 54.8035 18.1709 179.6402 57 G 3.5765 7.9486 104.8297 48.2725 0.0000 175.3003 58 T 4.2210 7.2481 111.4965 62.1813 67.3318 174.1994 59 E 4.6905 7.8304 116.3140 56.3043 31.6231 175.4840 60 L 4.6025 7.9168 118.4965 56.5102 44.1166 177.8292 61 V 3.7751 7.8959 116.9229 64.4595 31.3153 176.5170 62 N 4.5491 7.7292 118.8987 51.0277 36.2211 173.6254 *64 L 4.4800 7.9492 128.2106 55.8730 44.3766 178.5806 65 S 4.0778 8.0805 112.0613 61.5868 62.0000 175.7103 66 Y 3.8590 7.7544 118.7161 61.2434 37.7930 178.4775 67 F 4.5815 7.9176 117.8735 60.2200 38.9099 177.9779 68 V 3.6588 7.9412 118.5014 66.0317 31.2845 177.7407 69 E 3.9727 8.0572 118.8636 58.9403 29.2194 178.4283 70 L 4.1896 8.0841 120.2632 57.8479 42.2220 178.8159 71 G 3.7733 8.2115 105.1912 47.3701 0.0000 175.0260 72 T 4.3444 7.5712 116.1507 63.8601 68.5987 176.4991 73 Q 4.0014 7.5177 122.0162 59.0235 29.2744 176.4337 74 P 4.3732 0.0000 0.0000 64.7449 31.4802 176.2257 75 A 4.1907 7.4872 123.8970 52.3019 18.4317 176.9607 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 A 8.26 4.23 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 3 K 8.47 4.37 0.00 2.02 2.03 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.46 7.81 4 E 7.64 4.75 0.00 1.90 1.90 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 2.18 2.24 0.00 5 P 0.00 4.60 0.00 2.16 2.16 0.00 3.76 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 1.93 1.93 0.00 6 C 7.70 4.58 0.00 2.90 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 7 V 7.80 4.18 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 1.04 0.00 0.00 0.92 0.00 0.00 8 E 8.16 4.02 0.00 2.01 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 2.40 2.47 0.00 9 S 8.06 4.17 0.00 4.06 4.13 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 0.00 0.00 0.00 10 L 7.99 4.25 0.00 1.84 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.46 3.67 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 1.08 0.00 0.00 0.97 0.00 0.00 12 S 8.05 4.20 0.00 4.12 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 13 Q 7.56 3.88 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 14 Y 8.28 4.33 0.00 3.25 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 15 F 8.15 4.19 0.00 3.30 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 16 Q 7.56 4.51 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.60 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 17 T 7.38 3.68 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 1.02 0.00 0.00 18 V 7.33 3.87 1.92 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 1.11 0.00 0.00 0.77 0.00 0.00 19 T 7.03 3.74 4.29 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 1.18 0.00 0.00 20 D 7.66 4.44 0.00 2.52 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 21 Y 7.14 4.51 0.00 3.05 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 22 G 8.33 3.48 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 0.00 23 K 7.66 3.96 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.63 7.81 24 D 7.83 4.59 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 25 L 7.37 3.70 0.00 1.63 1.54 0.49 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.02 4.08 0.00 2.03 2.17 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 2.77 2.52 0.00 27 E 8.16 3.95 0.00 2.14 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 2.30 2.57 0.00 28 K 7.61 4.03 0.00 1.78 1.82 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.59 7.81 29 V 7.17 3.76 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 0.81 0.00 0.00 0.92 0.00 0.00 30 K 8.21 4.37 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.66 7.81 31 S 7.19 4.53 0.00 4.00 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 32 P 0.00 4.61 0.00 2.19 2.12 0.00 3.71 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 1.97 1.94 0.00 33 E 8.23 4.64 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 2.25 2.20 0.00 34 L 8.32 4.48 0.00 1.55 1.56 0.91 0.69 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 35 Q 8.49 4.71 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 36 A 8.24 4.66 1.29 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 0.00 0.00 37 E 8.40 4.63 0.00 2.21 2.24 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 2.37 2.18 0.00 38 A 7.90 4.09 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 39 K 8.01 4.30 0.00 1.82 1.85 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 40 S 7.91 4.28 0.00 4.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.92 4.14 0.00 3.10 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 42 F 8.05 3.89 0.00 3.20 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 43 E 8.11 3.98 0.00 2.21 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 2.48 2.66 0.00 44 K 7.37 4.04 0.00 1.58 1.82 0.00 1.75 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 45 S 7.51 3.94 0.00 2.72 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.24 3.83 0.00 1.60 1.78 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.30 7.81 47 E 8.16 4.12 0.00 2.20 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 2.29 2.56 0.00 48 Q 7.22 4.51 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 49 L 7.46 4.06 0.00 1.70 1.74 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.74 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 51 P 0.00 4.53 0.00 2.06 2.07 0.00 3.73 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 2.14 2.05 0.00 52 L 7.34 4.56 0.00 1.87 1.74 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.47 3.95 1.86 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 1.63 1.06 0.90 0.00 0.00 54 K 8.08 4.22 0.00 2.06 1.84 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 7.97 4.12 0.00 1.93 1.80 0.00 1.72 0.00 0.00 2.04 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 56 A 7.83 4.36 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 57 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.25 4.22 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 1.26 0.00 0.00 59 E 7.83 4.69 0.00 2.07 1.92 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 2.20 2.39 0.00 60 L 7.92 4.60 0.00 1.71 1.71 0.93 0.78 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 61 V 7.90 3.78 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 0.82 0.00 0.00 0.93 0.00 0.00 62 N 7.73 4.55 0.00 2.93 2.93 0.00 0.00 5.91 7.79 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 *64 L 7.95 4.48 0.00 1.85 1.79 1.00 0.91 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 65 S 8.08 4.08 0.00 3.82 3.59 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 66 Y 7.75 3.86 0.00 2.63 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 67 F 7.92 4.58 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.94 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 1.01 0.00 0.00 1.04 0.00 0.00 69 E 8.06 3.97 0.00 2.00 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 2.30 2.30 0.00 70 L 8.08 4.19 0.00 2.04 2.04 1.04 1.06 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 71 G 8.21 3.77 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 72 T 7.57 4.34 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 73 Q 7.52 4.00 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 74 P 0.00 4.37 0.00 2.07 2.11 0.00 3.90 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 2.05 2.17 0.00 75 A 7.49 4.19 1.30 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.