NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5521 8.3649 119.5494 53.0461 41.0415 174.9522 4 H 4.0801 8.6896 115.1743 57.0432 29.5767 169.2236 5 V 4.4597 8.4822 121.3167 61.4464 35.7123 173.4536 6 Y 5.1948 8.7875 123.6511 56.0272 41.5582 174.6342 7 K 4.4941 8.2114 122.2391 54.5520 35.5005 174.7196 8 I 4.8778 8.2103 126.3493 59.6284 39.4197 175.2278 9 V 4.5319 8.6534 120.1836 59.4999 34.9675 174.2498 10 E 5.0014 8.7010 124.3052 54.8123 30.8117 174.9778 11 L 4.9512 8.9525 126.1850 53.1033 46.4114 175.4065 12 T 4.8857 8.4949 115.6247 60.3888 69.6253 173.4928 13 G 4.0722 8.7897 116.6198 45.4878 0.0000 172.1022 14 S 5.9417 8.1882 115.7706 55.8364 65.5498 173.0413 15 S 4.8258 8.3069 116.9543 56.9533 65.2388 173.6066 16 P 4.8227 0.0000 0.0000 64.1387 31.6513 176.3797 17 N 4.6944 9.7681 116.7883 52.6355 40.0952 175.2852 18 G 2.9832 7.4423 104.1433 43.9388 0.0000 172.8333 19 I 3.5696 7.1287 119.5583 64.5927 36.9777 178.4957 20 E 3.9553 7.9334 118.7802 59.3489 29.2011 179.2566 21 E 3.8737 7.9876 117.9836 59.1496 29.6782 178.7604 22 A 4.0110 8.0926 121.1981 55.3740 18.3846 180.1621 23 V 3.4765 7.7590 117.4641 64.8926 31.4832 178.0948 24 N 4.1675 8.2048 117.2645 56.2546 38.3698 177.0053 25 N 4.2914 8.4043 117.6160 56.1662 38.5981 177.3213 26 A 3.9399 7.8589 122.0083 55.3230 18.4684 179.8462 27 I 3.5971 8.0322 118.5118 64.0947 37.2028 178.3342 28 A 3.9281 8.4910 122.0260 55.5383 16.9717 179.9798 29 R 3.8688 8.1401 115.8713 59.1687 30.0077 179.3107 30 A 4.2575 8.0348 121.0294 54.9441 18.1859 179.9167 31 G 3.5236 8.0116 103.3688 47.6872 0.0000 175.5005 32 E 4.0580 7.8046 119.7593 59.3113 29.5757 178.4390 33 T 4.2232 7.1285 110.9164 61.9602 68.2855 174.3083 34 L 4.4844 7.7750 119.7002 52.6375 44.0265 175.4798 35 R 4.4665 7.2918 114.7721 55.8799 32.7374 174.2802 36 H 4.1060 8.6328 113.7303 56.9388 25.4864 175.4418 37 L 4.5520 7.9899 118.7394 55.3884 42.3627 176.7545 38 R 4.8482 9.2423 122.7020 57.1795 31.9959 176.2988 39 W 5.5376 7.7531 113.8999 55.1060 31.9115 172.9305 40 F 5.3639 8.5070 114.6285 55.2112 41.2006 173.4172 41 E 4.6041 9.3174 119.5399 54.4031 33.1602 174.2778 42 V 4.2698 8.6598 127.3268 62.9343 31.5191 175.8943 43 V 4.0674 8.5913 128.3936 63.4355 32.7066 176.0713 44 D 4.5076 7.3875 117.2060 53.8393 44.3407 174.7779 45 T 5.1573 8.8462 121.6264 62.1013 71.4163 173.2316 46 R 4.7540 9.1448 124.8965 55.0128 35.0654 173.9213 47 G 4.0653 8.1409 104.2886 46.3496 0.0000 172.3616 48 H 4.8820 8.4243 120.8694 54.6138 31.9112 173.6865 49 I 4.7966 7.8516 125.6571 59.5068 38.9341 174.6374 50 E 4.5873 9.0776 128.1907 55.0979 33.0646 175.2373 51 G 3.7664 8.5355 113.8599 47.3361 0.0000 174.8301 52 G 4.1968 8.6408 108.4953 44.6308 0.0000 172.4689 53 R 4.6027 7.7824 114.4809 53.4620 32.7568 174.4042 54 V 3.9207 8.2586 119.8899 63.0446 31.7465 175.2826 55 N 4.9299 8.5663 123.7693 53.0758 39.2386 174.4994 56 H 5.1026 7.7229 116.7762 54.0681 33.4633 171.9947 57 W 4.8998 9.6980 123.7433 55.4040 31.2345 175.3213 58 Q 4.7102 9.4679 124.2293 54.3555 31.0892 174.3906 59 V 4.7413 8.6499 125.2295 61.3307 33.8251 174.3009 60 T 5.1729 9.0453 123.4924 60.6936 69.6554 173.5486 61 V 5.0597 8.9166 126.4630 60.2770 35.4998 173.4977 62 K 4.9838 9.6131 122.7654 54.7671 34.7450 175.2087 63 V 4.5266 8.8044 125.2087 60.9907 34.1051 174.2906 64 G 3.2085 8.2507 115.8838 44.2467 0.0000 172.4247 65 F 5.6644 8.2229 117.9965 55.4307 41.8183 173.6988 66 T 4.2617 8.9010 118.4918 63.6064 69.0201 174.0694 67 L 4.2361 8.3461 126.9724 54.4240 42.2860 174.4939 68 E 4.2331 9.2163 120.1532 56.9383 32.5740 176.1448 *69 G 3.7113 8.1652 112.6724 44.9834 0.0000 172.3112 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 3 D 8.36 4.55 0.00 2.71 2.47 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 4 H 8.69 4.08 0.00 3.08 2.74 0.00 5.81 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 5 V 8.48 4.46 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 0.99 0.00 0.00 0.89 0.00 0.00 6 Y 8.79 5.19 0.00 3.00 2.96 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 7 K 8.21 4.49 0.00 1.41 0.74 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.27 7.81 8 I 8.21 4.88 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.87 0.00 0.00 9 V 8.65 4.53 2.15 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 0.88 0.00 0.00 1.07 0.00 0.00 10 E 8.70 5.00 0.00 1.98 1.86 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 2.22 2.34 0.00 11 L 8.95 4.95 0.00 1.56 1.47 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.49 4.89 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 13 G 8.79 4.07 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 0.00 0.00 0.00 14 S 8.19 5.94 0.00 3.85 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 15 S 8.31 4.83 0.00 3.93 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 16 P 0.00 4.82 0.00 2.27 2.18 0.00 3.85 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 2.03 2.02 0.00 17 N 9.77 4.69 0.00 2.68 2.86 0.00 0.00 6.84 7.22 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 18 G 7.44 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 0.00 0.00 0.00 19 I 7.13 3.57 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.20 0.90 0.00 0.00 20 E 7.93 3.96 0.00 1.97 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 0.00 2.37 2.44 0.00 21 E 7.99 3.87 0.00 2.14 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 2.36 2.39 0.00 22 A 8.09 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.48 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 0.99 0.00 0.00 0.38 0.00 0.00 24 N 8.20 4.17 0.00 2.93 2.86 0.00 0.00 7.02 6.49 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 25 N 8.40 4.29 0.00 2.88 2.84 0.00 0.00 6.92 7.64 0.00 0.00 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 A 7.86 3.94 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 27 I 8.03 3.60 1.79 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.35 0.84 0.00 0.00 28 A 8.49 3.93 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 29 R 8.14 3.87 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 A 8.03 4.26 1.28 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 31 G 8.01 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.06 0.00 2.09 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 2.31 2.41 0.00 33 T 7.13 4.22 4.18 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 0.00 0.00 0.00 1.23 0.00 0.00 34 L 7.78 4.48 0.00 1.29 0.87 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.29 4.47 0.00 1.60 1.72 0.00 3.11 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 36 H 8.63 4.11 0.00 3.58 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 4.55 0.00 1.68 1.67 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.24 4.85 0.00 2.10 2.32 0.00 3.50 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 39 W 7.75 5.54 0.00 3.29 3.19 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 0.00 0.00 0.00 40 F 8.51 5.36 0.00 3.08 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 41 E 9.32 4.60 0.00 2.10 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 2.25 2.26 0.00 42 V 8.66 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 0.96 0.00 0.00 1.14 0.00 0.00 43 V 8.59 4.07 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 0.79 0.00 0.00 1.02 0.00 0.00 44 D 7.39 4.51 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.85 5.16 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 1.45 0.00 0.00 46 R 9.14 4.75 0.00 1.68 1.80 0.00 3.30 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 1.58 0.00 47 G 8.14 4.07 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 0.00 0.00 0.00 48 H 8.42 4.88 0.00 3.22 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.85 4.80 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.86 0.00 0.00 50 E 9.08 4.59 0.00 2.12 1.72 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 2.18 2.25 0.00 51 G 8.54 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 52 G 8.64 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 0.00 0.00 0.00 0.00 53 R 7.78 4.60 0.00 1.93 1.96 0.00 2.77 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 54 V 8.26 3.92 1.79 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 -0.24 0.00 0.00 0.53 0.00 0.00 55 N 8.57 4.93 0.00 2.62 2.81 0.00 0.00 6.80 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 56 H 7.72 5.10 0.00 3.09 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.70 4.90 0.00 3.40 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 58 Q 9.47 4.71 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 59 V 8.65 4.74 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 1.03 0.00 0.00 1.03 0.00 0.00 60 T 9.05 5.17 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 1.32 0.00 0.00 61 V 8.92 5.06 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 0.65 0.00 0.00 1.09 0.00 0.00 62 K 9.61 4.98 0.00 1.72 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.80 4.53 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 0.94 0.00 0.00 0.92 0.00 0.00 64 G 8.25 3.21 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 0.00 0.00 0.00 65 F 8.22 5.66 0.00 3.29 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 66 T 8.90 4.26 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 1.09 0.00 0.00 67 L 8.35 4.24 0.00 1.59 1.59 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.22 4.23 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 *69 G 8.17 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.