NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9407 8.3549 109.7373 44.7417 0.0000 176.8690 3 K 3.8470 8.7913 123.5332 55.2294 32.4053 170.3899 4 V 4.5051 8.6705 121.7072 61.3882 35.4495 173.5289 5 Y 4.9856 8.8045 124.1502 56.0664 40.9095 174.6721 6 K 4.4534 8.2335 123.0534 54.4836 34.9346 174.7834 7 K 5.0820 8.5537 125.7976 54.7716 34.4543 175.9213 8 V 4.5465 8.7894 117.1605 59.4928 35.5943 174.2840 9 E 4.9783 8.8479 125.3437 55.1947 30.3757 174.9857 10 L 4.9033 9.0388 127.2665 52.8642 45.6210 175.7271 11 V 4.7726 8.3171 120.4782 61.2411 33.6892 174.9434 12 G 4.6709 9.0894 115.7933 44.6254 0.0000 172.3531 13 T 5.3771 8.2817 112.5329 59.9687 71.9744 173.0436 14 S 4.7242 8.9408 117.0251 57.4763 65.9457 174.7549 15 E 4.5777 8.9235 123.8548 57.3901 29.8979 177.9745 16 E 4.2045 8.2277 118.9353 57.1678 30.2704 176.7631 17 G 3.4633 7.1083 104.0272 44.0296 0.0000 173.6348 18 L 3.7739 7.6285 118.1604 57.7878 41.4779 179.3024 19 E 3.8922 8.0269 117.7937 59.4045 29.3829 179.1281 20 A 3.9340 7.9064 119.9715 55.0370 18.5303 179.3942 21 A 3.9144 7.9058 119.0998 55.2566 18.4975 179.8684 22 I 3.4793 7.7341 118.2496 64.7572 37.2129 178.6996 23 Q 3.9117 8.3148 118.8556 58.7475 28.4745 178.8216 24 A 3.9344 8.1997 121.7196 55.0790 18.4536 179.5572 25 A 3.8744 7.8135 118.6630 55.4074 18.5822 179.7686 26 L 3.8917 7.9153 117.2875 57.6371 41.3870 179.6006 27 A 3.9453 8.1872 120.5289 55.0778 18.6177 179.3164 28 R 3.9119 7.9310 116.9383 59.4850 30.1878 178.4808 29 A 3.8870 7.9964 120.5472 55.2822 18.1482 179.6017 30 R 4.0447 7.7690 115.8528 59.3371 30.1146 178.6118 31 K 4.1485 7.7961 117.9994 58.5939 32.0684 177.7203 32 T 4.5073 7.7137 105.6406 60.4789 70.5279 173.5970 33 L 4.4984 8.1388 121.9398 52.7511 43.8625 175.8982 34 R 4.4715 7.9798 120.2980 55.5058 32.8796 174.9149 35 H 4.1705 8.3863 112.9787 56.9177 26.0706 175.1467 36 L 4.5935 8.1159 119.0903 55.2263 42.1374 176.0741 37 D 5.1582 9.1482 123.2520 55.4616 43.3092 176.3935 38 F 5.2367 7.5169 111.2009 55.4991 41.4894 173.0013 39 F 5.6111 8.3854 113.6218 55.5582 41.6278 173.7479 40 E 4.6802 9.3179 118.5434 54.7647 33.6803 174.9411 41 V 4.2249 8.7337 125.3880 63.1212 31.6289 175.5687 42 K 4.5215 9.2262 128.4541 58.4555 33.2334 176.7683 43 E 4.8012 7.8672 114.9945 55.3497 32.8750 174.2646 44 I 4.8987 8.3722 121.5402 59.9364 39.6140 174.9386 45 R 4.7265 9.1286 125.7693 54.6201 35.0108 173.8498 46 G 4.3065 7.8154 106.0294 47.0403 0.0000 172.2655 47 T 4.8116 7.9211 109.5536 59.8483 71.9616 173.4073 48 I 4.7868 8.2662 122.7308 59.8229 39.7643 175.3066 49 G 4.2928 8.7799 116.9003 43.7125 0.0000 171.9804 50 E 3.8269 8.9336 118.9029 58.9206 29.4648 179.3533 51 A 4.7866 8.0129 119.7333 51.6436 20.9262 176.7397 52 G 3.9963 7.4878 112.9581 45.4400 0.0000 177.2612 53 V 3.7678 8.2498 124.7055 62.9069 31.1421 174.5360 54 K 4.2075 8.7759 129.7531 57.8329 33.1490 175.0908 55 E 4.9626 8.0260 119.2713 54.3449 32.7971 173.7770 56 Y 4.6669 9.0854 125.4040 57.8050 39.7176 174.6699 57 Q 4.8884 9.3430 122.5285 54.3433 32.4750 174.4827 58 V 4.6358 8.7426 126.0372 61.1524 33.4495 174.8177 59 V 4.5311 8.6378 129.4248 62.2644 32.8335 174.4994 60 L 5.2650 9.2178 129.7221 53.4330 45.7574 174.5625 61 E 5.0277 9.4651 126.0451 55.0819 31.6306 175.0235 62 V 4.6814 9.0608 124.9538 61.0227 34.2852 174.1930 63 G 3.6923 8.5769 115.9615 44.1320 0.0000 172.3065 64 F 5.6439 8.7135 119.6615 54.8001 41.7571 173.9648 65 R 3.9240 8.8600 122.0687 55.8840 30.5060 176.0866 66 L 4.3180 8.3039 127.4840 54.6314 42.1996 177.1362 67 E 4.0806 8.8578 122.7442 55.7569 30.3155 176.3002 68 E 5.0975 8.4219 125.1238 57.0520 31.8509 177.4583 *69 T 4.1630 8.5136 118.0426 61.0446 69.2274 170.5408 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 G 8.35 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 0.00 0.00 0.00 3 K 8.79 3.85 0.00 1.77 1.35 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.67 4.51 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.80 4.99 0.00 2.86 2.90 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 6 K 8.23 4.45 0.00 1.48 0.74 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.22 7.81 7 K 8.55 5.08 0.00 1.67 1.71 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.47 7.81 8 V 8.79 4.55 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 0.89 0.00 0.00 1.14 0.00 0.00 9 E 8.85 4.98 0.00 2.00 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 2.36 0.00 10 L 9.04 4.90 0.00 1.57 1.50 0.90 0.44 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 11 V 8.32 4.77 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.09 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 5.38 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 1.22 0.00 0.00 14 S 8.94 4.72 0.00 3.90 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 15 E 8.92 4.58 0.00 2.03 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 2.50 2.30 0.00 16 E 8.23 4.20 0.00 1.99 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 2.41 0.00 17 G 7.11 3.46 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 18 L 7.63 3.77 0.00 1.55 1.62 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.89 0.00 1.99 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 2.38 2.42 0.00 20 A 7.91 3.93 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 21 A 7.91 3.91 1.47 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 0.00 0.00 22 I 7.73 3.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.88 0.40 0.00 0.00 23 Q 8.31 3.91 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 24 A 8.20 3.93 1.35 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 0.00 0.00 0.00 25 A 7.81 3.87 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 26 L 7.92 3.89 0.00 1.61 1.65 0.59 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.19 3.95 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 28 R 7.93 3.91 0.00 1.93 2.06 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.00 3.89 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 30 R 7.77 4.04 0.00 1.91 2.16 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.80 4.15 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 32 T 7.71 4.51 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 1.17 0.00 0.00 33 L 8.14 4.50 0.00 1.34 0.96 0.38 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.98 4.47 0.00 1.61 1.44 0.00 3.27 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 35 H 8.39 4.17 0.00 3.64 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.59 0.00 1.66 1.65 0.90 0.97 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 37 D 9.15 5.16 0.00 2.87 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 38 F 7.52 5.24 0.00 2.93 3.04 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 39 F 8.39 5.61 0.00 3.09 3.02 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 40 E 9.32 4.68 0.00 1.98 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 2.28 2.45 0.00 41 V 8.73 4.22 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 0.88 0.00 0.00 1.12 0.00 0.00 42 K 9.23 4.52 0.00 1.67 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.56 7.81 43 E 7.87 4.80 0.00 2.02 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 2.30 2.35 0.00 44 I 8.37 4.90 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 1.01 0.00 0.00 45 R 9.13 4.73 0.00 1.70 1.81 0.00 3.41 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.82 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 0.00 0.00 0.00 0.00 47 T 7.92 4.81 4.20 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 1.18 0.00 0.00 48 I 8.27 4.79 1.84 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 1.23 0.64 0.95 0.00 0.00 49 G 8.78 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 0.00 0.00 0.00 0.00 50 E 8.93 3.83 0.00 1.92 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 2.35 0.00 51 A 8.01 4.79 1.23 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 52 G 7.49 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 53 V 8.25 3.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.74 0.00 0.00 54 K 8.78 4.21 0.00 1.85 1.78 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 E 8.03 4.96 0.00 2.04 1.68 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 0.00 2.19 2.25 0.00 56 Y 9.09 4.67 0.00 3.12 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 57 Q 9.34 4.89 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.74 4.64 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.64 4.53 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 0.90 0.00 0.00 0.95 0.00 0.00 60 L 9.22 5.27 0.00 1.71 1.58 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.47 5.03 0.00 2.00 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 2.31 2.29 0.00 62 V 9.06 4.68 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 1.05 0.00 0.00 0.95 0.00 0.00 63 G 8.58 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 64 F 8.71 5.64 0.00 3.39 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 65 R 8.86 3.92 0.00 2.06 1.87 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.00 66 L 8.30 4.32 0.00 1.53 1.55 0.84 1.01 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 67 E 8.86 4.08 0.00 2.00 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 2.37 2.43 0.00 68 E 8.42 5.10 0.00 1.89 1.84 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 2.03 2.13 0.00 *69 T 8.51 4.16 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 * Residues marked with a * may have inaccurate shift predictions.