NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9609 8.3549 109.7226 45.9003 0.0000 174.1255 0 H 4.8140 8.5618 118.1475 53.4565 28.7830 174.6612 2 S 5.2554 8.4777 128.4704 58.8122 64.9682 175.3929 3 R 4.3531 7.7989 127.0449 56.4379 31.0511 175.1248 4 T 5.1798 8.3467 114.6660 60.7090 72.6850 175.0957 5 V 4.4109 8.7883 115.6037 61.8918 35.1134 177.5219 *7 C 4.5334 9.2338 129.9880 59.9522 32.5562 173.5445 8 R 3.7591 9.0224 127.3118 59.1968 30.1794 178.6246 9 K 3.6759 7.9132 117.9550 59.5524 32.1910 177.1582 10 Y 4.5378 7.6406 112.4743 57.9618 38.4760 174.8101 11 H 4.1166 8.1262 116.6623 55.8634 26.9143 173.8666 12 E 4.7926 7.6746 112.9528 55.1609 32.4612 174.8427 13 E 4.4494 8.7213 122.7090 56.3448 30.2856 175.6882 14 L 4.8981 8.9158 125.6595 52.1983 47.2041 173.8013 15 P 4.5856 0.0000 0.0000 63.4340 32.3354 176.7421 16 G 4.2161 8.6180 112.1470 44.3545 0.0000 173.2648 17 L 4.4168 8.1348 119.3165 54.4554 42.1834 177.7295 18 D 4.5841 8.6632 121.3209 57.1677 41.1082 176.5260 19 R 4.3507 7.4302 112.4685 54.1159 30.6006 172.6764 20 P 4.2275 0.0000 0.0000 61.7922 31.7613 176.2383 21 P 4.3058 0.0000 0.0000 65.4120 31.5737 175.4670 22 Y 4.7149 6.4133 113.7571 55.2249 40.7755 171.8710 23 P 4.3133 0.0000 0.0000 63.2505 32.3153 175.6875 24 G 3.8922 8.8121 104.9417 44.4967 0.0000 174.6267 25 A 3.9771 8.7889 119.9448 55.1034 18.2190 179.8578 26 K 3.9997 8.1619 117.6293 59.7194 32.4292 179.0763 27 G 3.4858 8.2060 106.8417 47.0828 0.0000 175.1179 28 E 3.9649 8.1818 121.6126 58.9253 29.5578 178.3184 29 D 4.2740 8.2531 118.2650 57.3785 41.3256 178.3274 30 I 3.4976 7.6455 120.1882 64.4840 36.8200 177.7056 31 Y 3.9827 7.5653 118.9375 60.8401 38.6460 177.6039 32 N 4.3747 8.2234 116.1014 54.8045 39.0707 175.5888 33 N 4.8879 8.3887 114.8551 52.3133 40.2929 173.5943 34 V 4.5834 7.6547 118.7621 60.1725 33.9826 176.1268 35 S 4.5048 8.5143 121.9711 58.1168 65.0965 175.1536 36 R 4.0082 8.8719 123.3288 59.4200 29.7689 178.7550 37 K 3.9958 8.2404 118.7845 59.6185 32.2143 178.3655 38 A 4.3428 8.5680 121.0706 55.0704 18.3146 179.4020 39 W 4.5256 8.7441 127.0071 60.9396 30.8325 178.0035 40 D 4.3099 8.9000 119.2975 57.4610 40.1954 178.6408 41 E 4.0588 8.8658 119.6003 59.0122 29.4785 179.2452 42 W 3.1309 8.4492 128.6716 60.2121 30.7532 177.9989 43 Q 3.2262 7.5710 117.8876 58.6318 27.8259 179.1600 44 K 3.7854 7.5434 118.3703 59.6388 32.1595 178.6395 45 H 4.1054 7.6854 117.6147 59.0207 29.9297 176.7687 46 Q 3.3822 7.1946 121.6766 58.8545 28.6196 179.0234 47 T 4.0167 7.2537 114.6334 63.8725 68.2726 176.2190 *49 L 4.2989 7.9150 122.9918 55.0033 43.9586 179.4494 50 I 3.7213 7.8531 119.2580 64.4772 37.2107 178.2983 51 N 4.3333 8.4448 117.8605 56.3293 38.5331 177.4494 52 E 3.7992 8.1446 116.0213 58.5125 29.7231 177.7060 53 R 4.3155 7.9973 115.0783 54.9700 31.2681 175.8716 54 R 3.7682 7.2439 115.7763 57.1183 27.7894 176.2682 55 L 4.7276 7.7529 116.5181 53.9924 44.9229 176.1417 56 N 4.4890 9.6466 118.6823 53.5206 39.1274 176.7643 *59 N 4.4426 9.2554 113.4238 53.0758 40.8961 171.9711 60 A 4.0435 8.5646 129.6971 55.4680 18.5007 179.1895 61 E 3.9586 8.2518 116.5085 59.6626 29.6494 179.1156 62 D 4.4468 8.8144 119.3043 57.4700 40.8532 179.1154 63 R 4.0157 8.1996 118.6285 58.9802 29.9776 178.9180 64 K 3.9284 8.3813 119.7029 59.4451 32.2059 178.4068 65 F 4.3467 8.5267 120.9939 61.6065 39.1130 177.1317 66 L 3.9889 7.9527 117.0087 57.7823 41.4766 178.9809 67 Q 4.0784 8.3868 119.1737 59.2606 29.3288 178.0466 68 Q 4.1526 8.3109 119.3641 58.7096 28.7407 178.7360 69 E 4.1079 7.9008 118.5350 56.7027 29.1429 178.8479 *71 D 4.4379 8.0781 120.1350 54.4406 43.0343 178.3227 72 K 3.8579 7.9277 118.1724 59.4437 32.2984 179.1253 73 F 3.5700 8.5026 120.2757 60.5594 39.1708 175.6406 74 L 4.5432 7.1681 117.1767 54.3651 41.6383 177.5467 75 S 4.1571 7.6198 115.9347 59.6877 63.2278 175.0328 76 G 4.4550 8.2015 107.4663 44.7884 0.0000 173.6500 77 E 4.2900 7.5845 117.3354 55.0604 30.8409 175.8780 78 D 4.4648 8.3215 119.5280 53.8093 40.9597 176.2464 79 Y 4.2127 8.4560 124.5340 57.8031 38.7745 175.2007 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 G 8.35 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 0.00 0.00 0.00 0 H 8.56 4.81 0.00 3.20 2.46 0.00 5.86 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.48 5.26 0.00 3.94 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 3 R 7.80 4.35 0.00 1.94 1.76 0.00 3.19 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 4 T 8.35 5.18 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 1.29 0.00 0.00 5 V 8.79 4.41 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 0.47 0.00 0.00 0.87 0.00 0.00 *7 C 9.23 4.53 0.00 3.12 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 8 R 9.02 3.76 0.00 1.84 1.86 0.00 3.18 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 9 K 7.91 3.68 0.00 1.45 1.26 0.00 1.34 0.00 0.00 0.75 0.00 0.00 2.14 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.41 1.00 7.81 10 Y 7.64 4.54 0.00 3.07 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 11 H 8.13 4.12 0.00 3.26 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.67 4.79 0.00 1.95 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 2.42 2.33 0.00 13 E 8.72 4.45 0.00 1.98 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 2.28 2.39 0.00 14 L 8.92 4.90 0.00 1.64 1.52 1.05 0.73 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 15 P 0.00 4.59 0.00 2.10 2.00 0.00 3.60 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 2.12 0.00 16 G 8.62 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 0.00 0.00 0.00 0.00 17 L 8.13 4.42 0.00 1.67 1.75 0.42 1.09 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 18 D 8.66 4.58 0.00 2.70 2.77 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 19 R 7.43 4.35 0.00 1.70 1.79 0.00 3.03 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 20 P 0.00 4.23 0.00 1.97 1.96 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.36 0.00 21 P 0.00 4.31 0.00 1.81 1.75 0.00 3.44 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 22 Y 6.41 4.71 0.00 3.10 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 23 P 0.00 4.31 0.00 2.23 2.11 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 24 G 8.81 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 25 A 8.79 3.98 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 26 K 8.16 4.00 0.00 1.99 2.08 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.64 7.81 27 G 8.21 3.49 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 0.00 28 E 8.18 3.96 0.00 2.25 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 2.33 2.29 0.00 29 D 8.25 4.27 0.00 2.81 2.81 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 30 I 7.65 3.50 1.52 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.02 0.00 0.00 31 Y 7.57 3.98 0.00 2.72 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 32 N 8.22 4.37 0.00 2.69 2.79 0.00 0.00 6.86 7.56 0.00 0.00 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 N 8.39 4.89 0.00 2.74 2.70 0.00 0.00 6.29 8.53 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 34 V 7.65 4.58 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 0.90 0.00 0.00 35 S 8.51 4.50 0.00 4.31 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 0.00 36 R 8.87 4.01 0.00 1.95 2.05 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 37 K 8.24 4.00 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.29 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.73 1.57 7.81 38 A 8.57 4.34 1.44 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 39 W 8.74 4.53 0.00 3.53 3.34 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 40 D 8.90 4.31 0.00 2.92 2.73 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 41 E 8.87 4.06 0.00 2.55 2.43 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 2.71 2.77 0.00 42 W 8.45 3.13 0.00 3.10 2.94 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 43 Q 7.57 3.23 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 44 K 7.54 3.79 0.00 1.78 1.78 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.64 7.81 45 H 7.69 4.11 0.00 2.87 2.69 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.19 3.38 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 47 T 7.25 4.02 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 1.11 0.00 0.00 *49 L 7.92 4.30 0.00 1.85 1.95 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.85 3.72 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.88 0.00 0.00 51 N 8.44 4.33 0.00 2.72 2.82 0.00 0.00 7.05 7.26 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 52 E 8.14 3.80 0.00 1.95 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 2.29 2.27 0.00 53 R 8.00 4.32 0.00 1.81 1.77 0.00 3.28 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 54 R 7.24 3.77 0.00 1.94 1.95 0.00 3.30 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 55 L 7.75 4.73 0.00 1.67 1.62 1.11 0.98 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 56 N 9.65 4.49 0.00 2.57 2.30 0.00 0.00 7.05 7.53 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 *59 N 9.26 4.44 0.00 2.83 3.02 0.00 0.00 6.76 7.90 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 60 A 8.56 4.04 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 61 E 8.25 3.96 0.00 2.19 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 2.41 2.36 0.00 62 D 8.81 4.45 0.00 2.99 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 63 R 8.20 4.02 0.00 2.08 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 64 K 8.38 3.93 0.00 1.97 2.07 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 65 F 8.53 4.35 0.00 3.13 3.34 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 66 L 7.95 3.99 0.00 1.94 1.93 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.39 4.08 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 68 Q 8.31 4.15 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 69 E 7.90 4.11 0.00 2.13 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 1.64 1.95 0.00 *71 D 8.08 4.44 0.00 2.82 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 72 K 7.93 3.86 0.00 2.23 2.05 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.63 7.81 73 F 8.50 3.57 0.00 2.46 2.57 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 74 L 7.17 4.54 0.00 1.48 1.64 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.62 4.16 0.00 3.90 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 0.00 76 G 8.20 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 0.00 0.00 0.00 0.00 77 E 7.58 4.29 0.00 2.13 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 2.44 2.28 0.00 78 D 8.32 4.46 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 4.21 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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.