NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3838 8.3049 120.3283 54.3823 33.3736 174.6467 2 K 3.6244 8.4631 119.8526 56.9281 32.2886 174.8695 3 R 4.6816 8.4328 125.8457 55.3255 33.4090 175.0159 4 T 4.1241 8.5265 111.3675 63.6352 67.9464 175.1660 5 W 4.9915 8.1612 130.8529 56.2095 30.5953 175.3940 6 Q 4.2547 7.5783 125.8061 52.0288 28.2896 172.4841 7 P 3.2686 0.0000 0.0000 62.8883 32.2650 176.3801 8 N 4.5976 7.9851 119.3643 51.6221 41.9505 175.2402 9 R 3.9273 8.5964 127.8026 59.2879 30.3253 178.7696 10 R 3.8705 7.9478 118.0408 59.3007 30.0762 178.2240 11 K 3.8639 7.9386 118.7767 59.4601 32.2037 178.4160 12 R 3.9591 8.1651 118.7450 59.6391 30.1615 178.4021 13 A 4.0696 8.2262 120.5673 54.9571 18.1897 179.4634 14 K 4.0259 8.6516 117.4404 58.8794 32.2515 178.2811 15 T 4.3110 7.5401 114.5822 65.2718 69.4700 175.2567 16 H 4.7967 8.0693 114.8125 55.2402 29.3120 175.6654 17 G 4.3648 7.7654 109.0160 44.8667 0.0000 174.6745 18 F 4.0137 8.9578 121.6488 61.2571 39.6258 177.4368 19 R 4.0418 8.1973 116.8254 59.2815 29.9094 178.3623 20 A 3.9789 8.1623 120.0817 55.7558 18.2142 179.8089 21 R 3.9276 8.2452 116.4738 59.4051 29.8939 178.6840 22 M 4.1490 7.8346 116.8499 56.7008 32.1273 178.6289 23 R 3.9969 7.2830 117.1884 58.3384 30.9726 176.7891 24 T 4.2831 7.3112 113.4454 60.3102 68.7086 173.3659 25 P 4.3125 0.0000 0.0000 65.8911 31.1696 178.7255 26 G 3.8317 7.9098 105.7649 47.7387 0.0000 175.6949 27 G 4.1614 7.8244 109.3069 46.9839 0.0000 175.6029 28 R 3.8916 8.1014 120.8082 58.9182 29.9888 179.2961 29 K 3.9299 7.9745 117.8860 59.5232 31.9609 178.9350 30 V 3.5185 7.6516 118.0617 66.4202 31.2474 177.6710 31 L 3.9484 7.8867 117.7257 57.9876 41.5684 179.3597 32 K 3.7948 8.2905 119.5226 59.9004 31.9045 178.8098 33 R 3.9001 8.1382 117.9019 59.3607 30.1662 178.9071 34 R 3.9495 8.2415 118.2052 59.5193 30.0774 179.2515 35 R 3.9270 8.6633 117.7841 59.4821 29.9641 179.0213 36 Q 4.0072 8.1537 117.7058 58.5155 29.0343 177.4825 37 K 4.2494 8.2692 119.8911 56.8401 32.3709 177.4069 38 G 3.9990 8.0241 106.4818 45.4521 0.0000 173.5779 39 R 3.9966 7.5637 117.6964 56.4656 30.4491 177.2474 40 W 4.6066 8.7345 120.9531 58.7495 29.9056 176.9005 41 R 4.6488 7.6655 117.2086 53.0199 30.0114 175.1750 42 L 4.1393 8.4454 121.7119 57.4342 42.1803 178.2152 43 T 4.7398 7.3708 111.3897 60.4940 72.0643 171.9164 44 P 4.1185 0.0000 0.0000 63.1978 31.7501 175.8664 45 A 4.3311 8.5395 126.3679 51.7191 19.2228 176.7321 46 V 4.5881 8.1095 121.6847 61.2948 34.7886 174.0524 47 R 4.8125 8.2410 121.6367 54.7466 32.5327 174.1779 48 K 4.3327 8.2619 118.2819 56.7071 35.0405 176.4234 *49 R 4.1254 8.4954 118.1871 56.6442 30.0213 175.5270 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 M 8.30 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.46 3.62 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 R 8.43 4.68 0.00 1.84 1.95 0.00 3.39 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 4 T 8.53 4.12 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 1.27 0.00 0.00 5 W 8.16 4.99 0.00 3.31 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 6 Q 7.58 4.25 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 7 P 0.00 3.27 0.00 1.87 1.95 0.00 3.41 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.60 0.00 8 N 7.99 4.60 0.00 2.61 2.45 0.00 0.00 7.23 7.65 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 9 R 8.60 3.93 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 10 R 7.95 3.87 0.00 1.87 1.91 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 11 K 7.94 3.86 0.00 1.86 1.92 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.55 7.81 12 R 8.17 3.96 0.00 2.17 2.13 0.00 3.57 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 13 A 8.23 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 4.03 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 15 T 7.54 4.31 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 0.85 0.00 0.00 16 H 8.07 4.80 0.00 3.18 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.77 4.36 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 0.00 18 F 8.96 4.01 0.00 3.07 3.14 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 0.00 0.00 0.00 0.00 19 R 8.20 4.04 0.00 1.95 2.01 0.00 3.28 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 20 A 8.16 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.93 0.00 1.74 1.85 0.00 3.10 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 22 M 7.83 4.15 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 23 R 7.28 4.00 0.00 1.80 1.97 0.00 3.15 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 1.71 1.66 0.00 24 T 7.31 4.28 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 1.25 0.00 0.00 25 P 0.00 4.31 0.00 2.29 2.29 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 7.91 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.82 4.16 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 0.00 0.00 0.00 28 R 8.10 3.89 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 29 K 7.97 3.93 0.00 1.95 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 V 7.65 3.52 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 1.11 0.00 0.00 1.00 0.00 0.00 31 L 7.89 3.95 0.00 1.92 1.74 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.29 3.79 0.00 2.03 1.86 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 33 R 8.14 3.90 0.00 2.04 1.95 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 34 R 8.24 3.95 0.00 1.97 2.04 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 35 R 8.66 3.93 0.00 1.99 2.01 0.00 3.17 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 1.70 1.70 0.00 36 Q 8.15 4.01 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 37 K 8.27 4.25 0.00 1.86 1.97 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 38 G 8.02 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 39 R 7.56 4.00 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 40 W 8.73 4.61 0.00 3.31 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 41 R 7.67 4.65 0.00 1.89 1.88 0.00 3.27 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 42 L 8.45 4.14 0.00 1.78 1.89 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.37 4.74 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 44 P 0.00 4.12 0.00 2.12 2.07 0.00 3.91 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 2.12 2.11 0.00 45 A 8.54 4.33 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 46 V 8.11 4.59 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 0.90 0.00 0.00 1.03 0.00 0.00 47 R 8.24 4.81 0.00 1.90 1.84 0.00 3.15 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 48 K 8.26 4.33 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 *49 R 8.50 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.