NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2803 0.0000 0.0000 63.5237 32.4954 177.5715 3 K 3.5269 8.3541 119.3723 55.7079 30.5726 175.5996 4 M 2.9613 8.6716 113.1265 55.5396 31.1534 176.7149 5 K 3.9474 8.5180 127.1041 56.7230 32.7773 176.0899 6 T 4.4786 8.0742 109.8464 59.9153 69.8776 172.3853 7 H 3.9923 8.8931 127.9366 55.7362 29.4025 175.2131 8 K 3.9533 8.7007 126.0970 59.2702 32.4033 178.9021 9 G 4.0962 8.2291 107.1066 49.0072 0.0000 175.2573 10 A 3.9321 8.3030 123.2927 54.4755 18.5949 179.1355 11 K 4.1600 7.9428 112.4236 57.3756 31.7240 176.9428 12 K 4.6495 7.5013 115.2767 55.9118 32.7661 176.6416 13 R 4.5102 7.7602 111.6974 56.5892 31.6641 175.5774 14 V 5.2500 7.4389 118.4754 60.0317 31.3545 173.7608 15 K 4.0987 8.2895 125.5358 56.0908 33.8532 174.6806 16 I 4.8512 8.1498 126.7628 59.0300 40.0266 175.0099 17 T 4.1011 8.1353 120.1064 61.9133 68.6575 174.0099 18 A 4.2169 8.5756 123.4859 54.4251 19.0106 179.2714 19 S 4.2077 8.2597 110.1885 61.9847 63.9466 173.5954 20 G 2.9544 7.0996 108.9675 44.9505 0.0000 173.8941 21 K 4.5662 8.1071 119.8093 53.9345 35.6419 177.8067 22 V 3.7908 8.4434 125.8691 63.1685 32.8482 174.8765 23 V 5.4238 8.7469 125.8036 60.9271 35.4665 173.6057 24 A 4.9009 8.3140 126.6036 50.8010 22.7778 176.4824 25 M 4.8581 8.5183 115.5252 54.9440 31.1643 176.4278 26 K 4.5940 8.3019 122.5373 55.9265 36.3257 175.6678 27 T 4.4178 8.3444 112.2383 60.7789 70.6690 173.9484 28 G 3.5302 8.2060 110.1346 45.2644 0.0000 173.5054 29 K 4.1629 7.0631 117.7037 53.2392 35.4646 175.8426 30 R 3.4565 8.9416 118.0850 58.4153 28.7982 176.3283 31 H 3.9141 7.5188 117.1874 59.3722 27.3125 178.3265 32 L 3.1574 8.7711 117.1740 53.3050 43.1648 176.2090 33 N 4.8095 9.6019 129.0136 54.7091 39.8150 174.2425 34 W 4.1531 7.8903 126.2363 58.5026 31.1660 176.1753 35 Q 3.5589 7.6030 114.7232 55.6662 25.9333 173.1183 36 K 4.5064 8.1957 118.1361 57.3509 29.6117 175.3401 37 S 4.3340 6.8379 117.5607 56.5992 68.2099 173.6485 38 G 4.1051 9.9733 118.6492 45.5983 0.0000 174.1826 39 K 4.1539 8.0659 123.2940 56.8082 32.8599 177.3839 40 E 3.9008 8.4612 119.8765 59.5648 29.6583 179.0015 41 I 3.3559 7.7695 110.2949 63.9234 36.9694 175.9978 42 R 3.5981 7.1123 118.8064 59.5723 30.6379 174.9882 43 Q 4.2506 7.7326 120.1745 55.7671 28.6887 179.0816 44 K 4.6688 7.4055 116.9870 54.9756 35.3710 177.3570 45 G 4.1656 7.6817 113.1059 45.3813 0.0000 174.1861 46 R 5.0165 8.7752 126.3264 56.7215 33.5574 173.0635 47 K 4.6005 7.5586 120.8973 57.9422 36.1331 174.4420 48 F 5.2731 8.8486 116.8352 55.5292 39.7464 174.9857 49 V 3.8536 8.0859 114.7489 63.3361 33.5693 171.9635 50 L 3.7386 8.2822 127.9727 55.3897 42.9770 175.4703 51 A 4.5215 8.6305 125.2786 52.6161 18.2856 178.2430 52 K 4.3023 8.5152 116.0354 57.9086 32.9880 176.7043 53 P 5.3415 0.0000 0.0000 65.0637 31.1802 177.5375 54 E 4.0812 8.2335 115.7638 58.0003 29.2056 177.9889 55 A 4.2159 7.8448 122.2669 54.3050 19.6580 179.2123 56 E 3.8252 8.1734 117.1665 59.7746 29.5395 179.5997 57 R 3.8219 8.0962 117.3822 59.2681 30.2423 177.2030 58 I 4.5459 7.5873 117.6485 61.1404 37.4934 176.3995 59 K 4.6805 8.3414 119.5211 57.9080 38.5192 177.6647 60 L 4.5792 7.4368 115.4398 55.1648 41.3206 179.4763 61 L 3.9786 8.1287 120.0213 58.1749 41.9587 179.1410 62 L 4.2446 7.9973 117.6300 57.4152 41.8435 177.1223 63 P 4.1936 0.0000 0.0000 63.8986 31.1176 176.3424 64 Y 3.2066 7.7189 122.2380 57.8706 39.3776 170.4479 *65 E 4.1630 8.4869 114.7598 56.1094 30.5285 172.5410 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 P 0.00 4.28 0.00 2.24 2.26 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 3 K 8.35 3.53 0.00 2.03 2.01 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.49 7.81 4 M 8.67 2.96 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 5 K 8.52 3.95 0.00 1.75 1.83 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 T 8.07 4.48 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 1.27 0.00 0.00 7 H 8.89 3.99 0.00 3.19 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.70 3.95 0.00 1.76 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.38 7.81 9 G 8.23 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 0.00 0.00 0.00 0.00 10 A 8.30 3.93 1.25 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 0.00 0.00 11 K 7.94 4.16 0.00 1.80 1.98 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.43 7.81 12 K 7.50 4.65 0.00 1.97 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.58 7.81 13 R 7.76 4.51 0.00 1.87 1.93 0.00 3.00 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 14 V 7.44 5.25 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 0.94 0.00 0.00 0.95 0.00 0.00 15 K 8.29 4.10 0.00 1.89 1.67 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.46 7.81 16 I 8.15 4.85 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.89 0.00 0.00 17 T 8.14 4.10 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 1.21 0.00 0.00 18 A 8.58 4.22 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 19 S 8.26 4.21 0.00 3.96 3.97 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 20 G 7.10 2.95 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 0.00 0.00 0.00 21 K 8.11 4.57 0.00 1.69 1.75 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.29 7.81 22 V 8.44 3.79 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 0.93 0.00 0.00 0.95 0.00 0.00 23 V 8.75 5.42 2.25 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 0.96 0.00 0.00 1.04 0.00 0.00 24 A 8.31 4.90 1.24 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 0.00 0.00 0.00 25 M 8.52 4.86 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 26 K 8.30 4.59 0.00 1.61 1.55 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.29 7.81 27 T 8.34 4.42 4.19 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 1.18 0.00 0.00 28 G 8.21 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.06 4.16 0.00 1.49 1.52 0.00 1.91 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 30 R 8.94 3.46 0.00 1.85 1.95 0.00 3.40 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 31 H 7.52 3.91 0.00 3.32 3.35 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.77 3.16 0.00 1.83 2.03 1.26 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.60 4.81 0.00 2.99 3.10 0.00 0.00 6.84 7.95 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 34 W 7.89 4.15 0.00 3.30 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 35 Q 7.60 3.56 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 36 K 8.20 4.51 0.00 1.51 1.62 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 37 S 6.84 4.33 0.00 4.13 4.03 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 38 G 9.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.07 4.15 0.00 1.99 2.01 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.37 7.81 40 E 8.46 3.90 0.00 2.07 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 2.26 2.31 0.00 41 I 7.77 3.36 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 1.16 0.00 0.00 42 R 7.11 3.60 0.00 1.78 2.11 0.00 3.29 0.00 0.00 3.22 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 43 Q 7.73 4.25 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 44 K 7.41 4.67 0.00 1.89 1.64 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.22 1.38 7.81 45 G 7.68 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 0.00 0.00 0.00 0.00 46 R 8.78 5.02 0.00 1.68 1.87 0.00 3.33 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 47 K 7.56 4.60 0.00 1.68 1.89 0.00 1.07 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.08 7.81 48 F 8.85 5.27 0.00 3.12 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 49 V 8.09 3.85 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 0.77 0.00 0.00 0.89 0.00 0.00 50 L 8.28 3.74 0.00 2.09 1.68 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.63 4.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.30 0.00 1.80 1.76 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 5.34 0.00 2.31 2.30 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 54 E 8.23 4.08 0.00 2.20 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 2.38 2.37 0.00 55 A 7.84 4.22 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 56 E 8.17 3.83 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 2.34 0.00 57 R 8.10 3.82 0.00 1.80 1.90 0.00 3.00 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 58 I 7.59 4.55 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.90 0.00 0.00 59 K 8.34 4.68 0.00 1.75 1.80 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 60 L 7.44 4.58 0.00 1.79 1.65 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.13 3.98 0.00 1.62 1.77 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.00 4.24 0.00 1.68 1.76 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.19 0.00 2.22 2.24 0.00 3.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 64 Y 7.72 3.21 0.00 3.15 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 *65 E 8.49 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.