NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3220 0.0000 0.0000 63.3599 32.5518 174.2791 3 K 4.1102 8.1082 117.5166 55.4489 32.4560 175.2962 4 M 4.2728 9.3394 127.1454 55.2236 33.5446 175.3337 5 K 4.5035 8.2589 120.1992 54.3702 34.1540 176.4775 6 T 3.8729 8.7030 113.8897 62.4108 68.8660 173.0887 7 H 4.2095 9.2765 125.8429 55.5287 29.1139 175.7053 8 K 4.2128 8.5748 129.1115 58.8453 31.7914 178.5337 9 G 3.5836 8.1197 104.7665 47.9274 0.0000 174.4532 10 A 4.2535 8.3252 123.2555 53.4658 18.7517 179.6215 11 K 3.9986 7.6294 118.3813 59.2107 33.1099 178.1739 12 K 4.2286 7.5613 117.7709 58.3950 32.0903 177.7535 13 R 4.7124 9.2994 113.8284 54.9302 29.9325 175.0478 14 V 4.3957 7.3692 114.4958 61.4831 33.8763 171.7396 15 K 4.5331 8.2704 122.1454 54.8156 35.8272 174.8157 16 I 5.3294 8.0082 122.4856 58.2776 37.2364 174.3540 17 T 4.0621 8.4408 117.6528 60.4519 70.2254 175.8279 18 A 4.3460 8.4460 122.3099 52.3744 17.9091 178.6232 19 S 4.6120 9.7338 114.4777 59.7869 68.1646 174.1979 20 G 3.4492 7.6264 112.1035 45.5437 0.0000 174.5874 21 K 3.3079 7.5625 120.1317 55.9578 32.3244 175.1362 22 V 4.3730 7.8328 123.3638 61.3984 32.8200 175.2257 23 V 4.7767 8.9103 126.2951 60.5082 34.4989 173.9945 24 A 5.0111 8.3837 131.2754 50.6869 22.5757 174.8414 25 M 4.8225 8.4052 116.8687 54.6578 33.9855 176.0774 26 K 4.5699 7.9777 118.4954 55.9340 33.5366 177.6537 27 T 4.2969 8.4572 114.0501 61.0798 70.7258 174.5592 28 G 3.9651 10.0081 107.1873 45.6061 0.0000 174.4297 29 K 4.6886 7.6884 115.6331 55.7731 32.2788 176.0535 30 R 4.5061 7.7067 117.4744 57.9313 32.1317 175.8022 31 H 4.7488 7.9408 108.8217 56.5426 30.3285 174.7134 32 L 4.0590 8.7961 121.3031 59.4202 41.6262 177.1390 33 N 3.9814 6.8009 112.5275 50.3471 38.5791 174.6664 34 W 5.0299 8.1040 135.0000 58.8485 29.9923 174.7864 35 Q 3.8095 6.5174 118.9288 53.7344 28.5718 172.0110 36 K 4.4625 7.5847 119.3156 53.6360 36.6383 176.5247 37 S 4.1653 8.7654 118.1866 58.5724 63.4695 175.7468 38 G 3.7080 8.6705 108.6420 47.8064 0.0000 175.5930 39 K 3.8749 7.3793 120.7825 58.8416 32.2703 177.6952 40 E 3.8957 9.4575 119.1842 57.7177 28.5129 179.7408 41 I 3.6757 7.9471 124.4325 64.6153 38.6889 176.4957 42 R 4.0466 8.1986 119.7775 59.0956 30.0294 177.1543 43 Q 4.5658 8.7210 118.9083 56.4598 28.6697 177.2127 44 K 4.6412 8.5451 116.6431 54.1917 33.5045 177.4053 45 G 4.2545 7.7694 115.4142 45.2918 0.0000 170.2406 46 R 5.1045 8.4403 122.6160 54.6991 32.5646 175.5040 47 K 4.7404 8.8043 119.4758 55.4214 36.8070 175.6082 48 F 5.4318 8.5194 118.6100 57.6130 41.2501 175.4625 49 V 4.5398 8.0993 110.0416 61.1676 35.2181 173.1593 50 L 4.4422 8.1918 123.0868 54.8718 44.5829 174.2486 51 A 4.1241 8.3423 135.0000 52.0636 17.3137 179.7532 52 K 3.9420 7.9022 114.3385 58.2114 32.3041 177.7206 53 P 4.2189 0.0000 0.0000 65.6890 31.2536 177.9207 54 E 3.8766 7.9797 117.3516 59.5220 29.7140 179.0809 55 A 4.0303 7.9855 119.8969 54.8900 17.3036 178.8530 56 E 3.8834 8.7214 117.5282 59.7695 29.5184 179.7683 57 R 4.1060 8.8415 118.7463 58.8109 29.9033 178.9309 58 I 3.7742 7.9336 119.6881 64.0334 37.3980 178.1914 59 K 4.1239 7.6574 116.3335 57.8519 32.5571 177.2572 60 L 4.7997 7.0238 120.6891 53.3890 42.7671 177.0749 61 L 4.3420 8.2800 123.5071 56.7310 39.8968 179.9041 62 L 3.8344 8.7247 114.8176 56.7948 42.1593 175.6019 63 P 4.4789 0.0000 0.0000 62.3004 32.5097 175.3898 64 Y 3.2902 7.9350 120.7940 57.9697 37.0207 171.0598 *65 E 4.1515 8.5047 114.6327 56.4607 30.5285 173.1414 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 4.32 0.00 2.19 2.18 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 K 8.11 4.11 0.00 1.84 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 4 M 9.34 4.27 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 5 K 8.26 4.50 0.00 1.70 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 6 T 8.70 3.87 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 1.28 0.00 0.00 7 H 9.28 4.21 0.00 3.15 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.57 4.21 0.00 1.87 1.77 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.58 7.81 9 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.25 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 11 K 7.63 4.00 0.00 1.73 1.89 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.55 1.75 7.81 12 K 7.56 4.23 0.00 1.71 1.87 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.46 7.81 13 R 9.30 4.71 0.00 1.87 1.94 0.00 3.10 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 14 V 7.37 4.40 2.05 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 0.55 0.00 0.00 0.87 0.00 0.00 15 K 8.27 4.53 0.00 1.88 1.68 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.43 7.81 16 I 8.01 5.33 1.74 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 1.41 1.01 0.84 0.00 0.00 17 T 8.44 4.06 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 1.26 0.00 0.00 18 A 8.45 4.35 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 9.73 4.61 0.00 3.82 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 20 G 7.63 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.31 0.00 1.53 0.79 0.00 1.65 0.00 0.00 1.92 0.00 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.49 1.17 7.81 22 V 7.83 4.37 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 0.74 0.00 0.00 0.85 0.00 0.00 23 V 8.91 4.78 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 1.38 0.00 0.00 0.97 0.00 0.00 24 A 8.38 5.01 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 25 M 8.41 4.82 0.00 1.93 2.05 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 2.58 2.52 0.00 26 K 7.98 4.57 0.00 1.77 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.72 7.81 27 T 8.46 4.30 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 28 G 10.01 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 0.00 0.00 0.00 29 K 7.69 4.69 0.00 1.85 1.83 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.45 7.81 30 R 7.71 4.51 0.00 1.78 1.94 0.00 3.43 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 1.51 1.50 0.00 31 H 7.94 4.75 0.00 3.27 3.28 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.80 4.06 0.00 1.74 1.90 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 N 6.80 3.98 0.00 2.82 2.76 0.00 0.00 6.72 7.68 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 34 W 8.10 5.03 0.00 3.37 3.56 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 0.00 0.00 0.00 0.00 35 Q 6.52 3.81 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.45 0.00 0.00 0.00 0.00 0.00 1.39 1.79 0.00 36 K 7.58 4.46 0.00 1.69 1.62 0.00 2.07 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 37 S 8.77 4.17 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 38 G 8.67 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 39 K 7.38 3.87 0.00 1.68 1.87 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 40 E 9.46 3.90 0.00 2.32 1.73 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 2.32 2.48 0.00 41 I 7.95 3.68 1.87 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 1.53 0.55 0.92 0.00 0.00 42 R 8.20 4.05 0.00 1.89 2.05 0.00 3.08 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 43 Q 8.72 4.57 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 44 K 8.55 4.64 0.00 1.87 1.72 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 45 G 7.77 4.25 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 0.00 46 R 8.44 5.10 0.00 1.75 2.01 0.00 3.19 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 47 K 8.80 4.74 0.00 1.81 1.89 0.00 1.35 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.45 7.81 48 F 8.52 5.43 0.00 2.81 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 49 V 8.10 4.54 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 0.61 0.00 0.00 0.94 0.00 0.00 50 L 8.19 4.44 0.00 1.58 1.51 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.34 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.94 0.00 1.84 1.88 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 53 P 0.00 4.22 0.00 2.18 2.23 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 54 E 7.98 3.88 0.00 2.18 2.06 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 2.33 2.33 0.00 55 A 7.99 4.03 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 56 E 8.72 3.88 0.00 2.24 2.05 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 2.26 2.36 0.00 57 R 8.84 4.11 0.00 2.07 1.91 0.00 3.13 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 58 I 7.93 3.77 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.90 0.00 0.00 59 K 7.66 4.12 0.00 1.72 1.88 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.45 1.44 7.81 60 L 7.02 4.80 0.00 1.50 1.26 0.50 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.28 4.34 0.00 1.75 1.23 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.72 3.83 0.00 1.71 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.48 0.00 2.35 2.16 0.00 4.01 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 64 Y 7.94 3.29 0.00 3.07 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 E 8.50 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.