#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 s ASP -2 N 0.00 -1.17 -1.11 0.00 -4.77 -1.26 -4.97 116.67 103.39 1kx7 s ASP -2 Ca 0.00 0.42 -0.18 0.00 -3.30 0.00 0.00 52.55 49.50 1kx7 s ASP -2 Cb 0.00 1.86 -0.06 0.00 -1.09 0.00 0.00 42.92 43.63 1kx7 s ASP -2 CO 0.00 -0.22 2.10 -0.11 0.70 0.00 0.00 175.17 177.64 1kx7 n LEU -1 N 5.39 5.50 -0.03 2.11 7.94 -1.26 -4.21 117.00 132.44 1kx7 n LEU -1 Ca 0.02 -3.49 0.00 0.00 -1.11 0.00 0.00 56.01 51.42 1kx7 n LEU -1 Cb 0.53 -1.37 -0.08 0.00 0.53 0.00 0.00 43.42 43.03 1kx7 n LEU -1 CO -0.05 0.40 -0.73 0.00 -1.11 0.00 0.00 177.39 175.90 1kx7 n GLN 1 N 6.41 1.35 -3.51 1.96 1.13 -1.26 -4.94 117.38 118.53 1kx7 n GLN 1 Ca 0.51 -0.05 -0.15 0.00 -1.94 0.00 0.00 57.00 55.37 1kx7 n GLN 1 Cb 0.38 -1.26 -0.12 0.00 0.11 0.00 0.00 30.24 29.36 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1kx7 s ASP 2 N -3.73 0.84 0.32 1.08 -1.08 -1.26 -5.04 116.67 107.81 1kx7 s ASP 2 Ca -0.04 0.10 0.15 0.00 -0.52 0.00 0.00 52.55 52.24 1kx7 s ASP 2 Cb 0.05 0.64 1.10 0.00 -1.46 0.00 0.00 42.92 43.25 1kx7 s ASP 2 CO 0.43 -0.30 1.44 0.00 0.52 0.00 0.00 175.17 177.26 1kx7 n ALA 3 N 5.34 0.82 -0.06 3.66 0.00 -1.26 0.18 120.51 129.18 1kx7 n ALA 3 Ca -0.05 0.94 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 1kx7 n ALA 3 Cb 0.50 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 1kx7 n ALA 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kx7 h GLU 4 N 0.00 0.21 -0.18 0.00 4.81 -1.92 -0.44 114.58 117.06 1kx7 h GLU 4 Ca 0.72 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.85 1kx7 h GLU 4 Cb 1.83 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 1kx7 h GLU 4 CO -0.74 0.14 -0.28 0.00 -0.73 0.00 0.00 179.01 177.39 1kx7 h ALA 5 N 1.16 1.20 0.06 2.92 0.00 -0.65 0.12 119.26 124.06 1kx7 h ALA 5 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1kx7 h ALA 5 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1kx7 h ALA 5 CO -0.11 0.52 -0.03 0.82 0.00 0.00 0.00 179.25 180.46 1kx7 h ILE 6 N 0.30 1.14 -0.51 0.00 1.08 -0.48 0.20 117.51 119.24 1kx7 h ILE 6 Ca 0.04 -0.65 -0.12 0.00 -0.39 0.00 0.00 64.86 63.74 1kx7 h ILE 6 Cb 0.65 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1kx7 h ILE 6 CO 0.05 0.16 -0.14 0.10 -0.69 0.00 0.00 178.15 177.63 1kx7 h TYR 7 N -0.37 1.12 0.00 1.37 -0.00 -0.74 0.19 116.97 118.54 1kx7 h TYR 7 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 58.73 58.45 1kx7 h TYR 7 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 36.78 1kx7 h TYR 7 CO 0.02 1.06 -0.13 -0.97 -0.00 0.00 0.00 178.16 178.15 1kx7 h ASN 8 N 0.86 0.00 0.40 0.10 -1.24 -0.75 0.17 115.58 115.11 1kx7 h ASN 8 Ca 0.13 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.85 1kx7 h ASN 8 Cb 0.71 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 1kx7 h ASN 8 CO 0.05 0.13 -1.83 1.17 -1.29 0.00 0.00 177.43 175.66 1kx7 n LYS 9 N -3.33 0.64 -0.01 6.67 4.81 0.70 -4.69 118.16 122.96 1kx7 n LYS 9 Ca -0.00 0.21 -0.03 0.00 -0.87 0.00 0.00 58.31 57.62 1kx7 n LYS 9 Cb 0.34 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.66 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kx7 n ALA 10 N -2.57 1.89 -0.40 3.14 0.00 0.63 -4.68 120.51 118.52 1kx7 n ALA 10 Ca -0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 1kx7 n ALA 10 Cb 1.04 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 20.58 1kx7 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kx7 n THR 12 N 1.64 0.10 -0.09 0.00 5.66 -1.19 -3.75 114.28 116.65 1kx7 n THR 12 Ca 0.01 -0.36 -0.21 0.00 -3.05 0.00 0.00 64.05 60.44 1kx7 n THR 12 Cb 0.40 1.27 -0.12 0.00 -1.55 0.00 0.00 70.33 70.33 1kx7 n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1kx7 n VAL 13 N -0.05 1.58 -0.06 1.08 0.31 -1.25 -4.45 118.33 115.49 1kx7 n VAL 13 Ca 0.00 -0.52 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 1kx7 n VAL 13 Cb 0.13 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 h HIS 15 N -0.73 0.00 -0.23 0.00 3.86 -1.81 0.36 115.15 116.59 1kx7 h HIS 15 Ca -0.05 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1kx7 h HIS 15 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 1kx7 h HIS 15 CO -0.29 0.44 0.14 0.77 0.86 0.00 0.00 177.93 179.85 1kx7 h SER 16 N 0.00 0.23 0.00 2.45 0.02 -1.78 -3.30 113.55 111.17 1kx7 h SER 16 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1kx7 h SER 16 Cb 1.05 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1kx7 h SER 16 CO 0.06 0.17 -1.75 0.80 -1.14 0.00 0.00 176.83 174.96 1kx7 n MET 17 N -4.95 0.95 -0.80 3.45 1.56 -1.24 -4.94 117.12 111.15 1kx7 n MET 17 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1kx7 n MET 17 Cb 0.04 -1.34 0.00 0.00 2.15 0.00 0.00 33.22 34.07 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kx7 n GLY 18 N 1.87 0.83 3.84 -5.12 0.00 0.10 -5.05 105.19 101.65 1kx7 n GLY 18 Ca -0.10 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1kx7 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kx7 s VAL 19 N -2.40 4.30 -1.55 1.61 1.01 0.26 -4.46 120.40 119.17 1kx7 s VAL 19 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1kx7 s VAL 19 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1kx7 s VAL 19 CO 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 175.10 174.79 1kx7 n ALA 20 N -1.23 -0.55 -1.01 5.51 0.00 -1.26 -0.73 120.51 121.24 1kx7 n ALA 20 Ca -0.07 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1kx7 n ALA 20 Cb 0.58 -1.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 1kx7 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kx7 n GLY 21 N -0.71 0.43 3.77 0.00 0.00 -1.26 -5.02 105.19 102.40 1kx7 n GLY 21 Ca -0.19 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1kx7 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx7 s ALA 22 N -1.83 3.28 0.53 4.61 0.00 0.09 -5.01 121.76 123.42 1kx7 s ALA 22 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 1kx7 s ALA 22 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1kx7 s ALA 22 CO 0.00 -0.56 1.04 -1.25 0.00 0.00 0.00 175.76 174.99 1kx7 s PRO 23 N -2.07 3.63 -0.05 0.00 0.04 -1.26 -4.42 135.00 130.87 1kx7 s PRO 23 Ca 0.54 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 1kx7 s PRO 23 Cb -0.34 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1kx7 s PRO 23 CO 0.44 -0.56 -0.01 0.15 0.04 0.00 0.00 177.00 177.06 1kx7 s LYS 24 N -3.62 2.87 -0.04 4.56 3.01 -1.26 -4.59 119.74 120.67 1kx7 s LYS 24 Ca 0.65 -0.51 -0.06 0.00 -1.01 0.00 0.00 55.97 55.04 1kx7 s LYS 24 Cb -0.16 -2.71 -0.25 0.00 -1.01 0.00 0.00 37.83 33.70 1kx7 s LYS 24 CO 0.27 0.67 3.47 -1.13 0.51 0.00 0.00 175.35 179.14 1kx7 n SER 25 N 1.84 5.08 0.00 2.83 3.41 -1.26 -3.84 113.62 121.69 1kx7 n SER 25 Ca -0.17 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1kx7 n SER 25 Cb 0.53 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1kx7 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx7 n HIS 26 N 2.55 0.00 -2.10 7.33 1.44 -1.26 -5.02 115.22 118.16 1kx7 n HIS 26 Ca 0.42 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.80 1kx7 n HIS 26 Cb 0.86 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.98 1kx7 n HIS 26 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1kx7 s ASN 27 N -2.29 5.81 -0.14 4.39 6.03 -1.25 -5.00 114.94 122.49 1kx7 s ASN 27 Ca 0.00 1.86 0.16 0.00 -1.03 0.00 0.00 52.86 53.84 1kx7 s ASN 27 Cb 0.00 -2.54 -0.24 0.00 -3.03 0.00 0.00 41.25 35.44 1kx7 s ASN 27 CO 0.00 -1.15 0.30 0.41 -2.03 0.00 0.00 177.10 174.63 1kx7 n THR 28 N -1.89 1.48 0.03 0.54 -1.04 -1.26 -4.36 114.28 107.78 1kx7 n THR 28 Ca 0.09 -0.83 0.15 0.00 -2.04 0.00 0.00 64.05 61.42 1kx7 n THR 28 Cb 0.53 -0.70 0.61 0.00 -1.82 0.00 0.00 70.33 68.95 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx7 h ALA 29 N 0.98 2.23 0.01 2.41 0.00 -1.99 0.40 119.26 123.30 1kx7 h ALA 29 Ca -0.45 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1kx7 h ALA 29 Cb 2.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1kx7 h ALA 29 CO 0.05 -0.34 -0.90 0.22 0.00 0.00 0.00 179.25 178.28 1kx7 h ASP 30 N 0.14 0.13 0.51 0.00 1.82 -1.94 -3.34 116.42 113.75 1kx7 h ASP 30 Ca 0.21 -0.11 -0.29 0.00 -0.39 0.00 0.00 57.03 56.44 1kx7 h ASP 30 Cb 0.64 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1kx7 h ASP 30 CO -0.03 0.96 -1.55 -0.50 -1.61 0.00 0.00 179.24 176.51 1kx7 h TRP 31 N 0.05 0.25 -0.42 0.28 4.06 -1.29 -3.39 115.95 115.49 1kx7 h TRP 31 Ca -0.03 -0.18 0.07 0.00 2.06 0.00 0.00 58.89 60.81 1kx7 h TRP 31 Cb 1.56 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 29.62 1kx7 h TRP 31 CO 0.02 1.25 -0.42 1.49 -3.56 0.00 0.00 178.44 177.22 1kx7 h GLU 32 N 0.04 -0.30 -0.23 0.49 4.22 -0.41 0.55 114.58 118.93 1kx7 h GLU 32 Ca -0.24 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1kx7 h GLU 32 Cb 1.98 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1kx7 h GLU 32 CO 0.12 -0.20 0.00 -0.35 -2.18 0.00 0.00 179.01 176.41 1kx7 n PRO 33 N -5.41 0.47 -0.01 0.92 -0.04 -1.26 -1.22 135.00 128.45 1kx7 n PRO 33 Ca -0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1kx7 n PRO 33 Cb 0.35 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1kx7 n PRO 33 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kx7 n ARG 34 N -0.12 0.08 0.30 0.54 3.00 -0.24 -4.69 116.66 115.53 1kx7 n ARG 34 Ca 0.00 0.03 0.20 0.00 -0.01 0.00 0.00 57.85 58.08 1kx7 n ARG 34 Cb 0.06 -0.63 1.05 0.00 0.00 0.00 0.00 32.46 32.94 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1kx7 h LEU 35 N -0.13 0.00 0.12 0.55 6.46 -0.35 -0.47 115.31 121.48 1kx7 h LEU 35 Ca -0.07 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.40 1kx7 h LEU 35 Cb 0.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1kx7 h LEU 35 CO -0.04 0.00 -1.44 0.00 -0.62 0.00 0.00 178.44 176.34 1kx7 h ALA 36 N 2.01 0.24 0.01 1.25 0.00 -1.41 -3.31 119.26 118.05 1kx7 h ALA 36 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 1kx7 h ALA 36 Cb 0.09 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kx7 h ALA 36 CO 0.00 1.11 -0.01 0.87 0.00 0.00 0.00 179.25 181.22 1kx7 h LYS 37 N 0.07 -0.02 0.00 0.00 1.79 -1.54 -3.51 116.57 113.36 1kx7 h LYS 37 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1kx7 h LYS 37 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1kx7 h LYS 37 CO 0.17 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1kx7 n GLY 38 N 0.58 -0.53 1.82 3.86 0.00 -0.28 -5.04 105.19 105.59 1kx7 n GLY 38 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1kx7 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kx7 n VAL 39 N 0.00 0.20 0.44 1.61 0.31 -1.26 -3.78 118.33 115.85 1kx7 n VAL 39 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1kx7 n VAL 39 Cb 0.00 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kx7 n ASP 40 N -3.39 0.03 0.02 4.52 9.92 -1.26 -1.83 116.55 124.55 1kx7 n ASP 40 Ca 0.00 -0.47 0.09 0.00 -0.53 0.00 0.00 54.79 53.88 1kx7 n ASP 40 Cb 0.01 -0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1kx7 n ASN 41 N -0.40 0.31 -0.13 -2.24 3.02 -1.26 -4.11 115.26 110.44 1kx7 n ASN 41 Ca 0.00 0.12 -0.20 0.00 -0.03 0.00 0.00 54.58 54.47 1kx7 n ASN 41 Cb 0.01 1.36 -0.12 0.00 -0.61 0.00 0.00 39.78 40.42 1kx7 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kx7 n LEU 42 N -2.45 2.82 -0.24 3.41 7.99 -0.76 -3.73 117.00 124.03 1kx7 n LEU 42 Ca -0.05 -0.06 0.16 0.00 -0.01 0.00 0.00 56.01 56.05 1kx7 n LEU 42 Cb 0.62 -0.88 0.46 0.00 -0.11 0.00 0.00 43.42 43.51 1kx7 n LEU 42 CO 0.44 0.88 1.22 1.62 -1.51 0.00 0.00 177.39 180.03 1kx7 h VAL 43 N -0.15 0.74 -0.44 4.08 3.04 -1.79 0.15 116.25 121.87 1kx7 h VAL 43 Ca -0.59 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 64.88 1kx7 h VAL 43 Cb 1.85 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1kx7 h VAL 43 CO -0.14 0.09 0.10 0.07 -1.01 0.00 0.00 177.57 176.68 1kx7 h LYS 44 N 0.50 0.71 -0.60 4.17 2.10 -1.75 -1.83 116.57 119.88 1kx7 h LYS 44 Ca 0.45 -0.18 -0.02 0.00 -2.00 0.00 0.00 60.65 58.90 1kx7 h LYS 44 Cb 0.98 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.19 1kx7 h LYS 44 CO -0.19 0.72 0.29 0.77 -2.00 0.00 0.00 179.45 179.05 1kx7 h SER 45 N 0.58 0.76 0.80 7.07 0.02 -0.91 -0.67 113.55 121.21 1kx7 h SER 45 Ca 0.14 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1kx7 h SER 45 Cb 0.34 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1kx7 h SER 45 CO 0.00 0.65 -0.38 0.58 -1.14 0.00 0.00 176.83 176.53 1kx7 h VAL 46 N 0.84 0.21 -0.68 2.27 2.07 -0.69 0.15 116.25 120.42 1kx7 h VAL 46 Ca 0.21 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.83 1kx7 h VAL 46 Cb 0.09 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1kx7 h VAL 46 CO -0.03 0.00 0.45 0.07 0.02 0.00 0.00 177.57 178.09 1kx7 h LYS 47 N -1.08 0.48 -0.15 1.57 2.10 -1.08 0.52 116.57 118.93 1kx7 h LYS 47 Ca -0.11 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.34 1kx7 h LYS 47 Cb 0.83 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1kx7 h LYS 47 CO 0.18 0.32 -0.62 1.15 -2.00 0.00 0.00 179.45 178.48 1kx7 h THR 48 N 0.49 1.34 -1.66 0.07 2.02 -0.89 -2.93 112.91 111.36 1kx7 h THR 48 Ca 0.32 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1kx7 h THR 48 Cb 0.59 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1kx7 h THR 48 CO -0.10 0.59 0.00 0.61 0.37 0.00 0.00 175.52 176.99 1kx7 n GLY 49 N 0.37 -2.16 1.71 2.16 0.00 0.50 -4.58 105.19 103.20 1kx7 n GLY 49 Ca -0.04 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1kx7 n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kx7 n LEU 50 N 0.00 0.00 0.01 0.99 7.94 -1.05 -4.88 117.00 120.01 1kx7 n LEU 50 Ca 0.00 -0.63 -0.11 0.00 -1.11 0.00 0.00 56.01 54.16 1kx7 n LEU 50 Cb 0.00 -0.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.44 1kx7 n LEU 50 CO 0.00 -1.08 0.64 0.78 -1.11 0.00 0.00 177.39 176.62 1kx7 h ASN 51 N -1.04 -1.03 -0.55 1.96 4.21 -1.99 -1.80 115.58 115.35 1kx7 h ASN 51 Ca -0.19 0.15 -0.35 0.00 1.21 0.00 0.00 56.30 57.11 1kx7 h ASN 51 Cb 0.55 0.43 -0.22 0.00 -1.12 0.00 0.00 38.32 37.96 1kx7 h ASN 51 CO 0.13 -0.37 -0.16 0.00 -1.29 0.00 0.00 177.43 175.74 1kx7 n ALA 52 N -2.84 4.81 -3.71 -0.83 0.00 -1.26 -4.96 120.51 111.73 1kx7 n ALA 52 Ca -0.04 -3.39 -0.19 0.00 0.00 0.00 0.00 53.44 49.83 1kx7 n ALA 52 Cb 0.33 -0.77 -0.17 0.00 0.00 0.00 0.00 19.45 18.84 1kx7 n ALA 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kx7 s MET 53 N -3.44 0.17 0.85 0.00 0.00 -0.68 -5.09 119.30 111.12 1kx7 s MET 53 Ca 0.49 0.22 -0.10 0.00 0.00 0.00 0.00 55.69 56.30 1kx7 s MET 53 Cb 0.42 -0.57 0.11 0.00 0.00 0.00 0.00 34.83 34.79 1kx7 s MET 53 CO 0.00 -0.25 1.11 -1.25 0.00 0.00 0.00 175.02 174.63 1kx7 s PRO 54 N 1.70 1.58 0.16 4.11 0.04 -1.26 -2.53 135.00 138.79 1kx7 s PRO 54 Ca -0.01 1.27 -0.32 0.00 0.04 0.00 0.00 61.00 61.99 1kx7 s PRO 54 Cb -0.13 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1kx7 s PRO 54 CO -0.03 -2.15 1.78 -0.35 0.04 0.00 0.00 177.00 176.29 1kx7 n PRO 55 N -3.88 2.76 -1.01 0.56 -0.04 -1.26 -0.35 135.00 131.78 1kx7 n PRO 55 Ca 0.10 1.00 -0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1kx7 n PRO 55 Cb 0.53 -2.87 -0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1kx7 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kx7 n GLY 56 N 4.09 0.43 2.41 0.55 0.00 0.17 -3.66 105.19 109.19 1kx7 n GLY 56 Ca 0.17 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1kx7 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx7 n GLY 57 N -2.34 -0.40 1.24 -0.02 0.00 0.53 -3.57 105.19 100.62 1kx7 n GLY 57 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1kx7 n GLY 57 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1kx7 n MET 58 N -2.89 0.00 -4.42 1.61 1.56 -1.24 -4.34 117.12 107.39 1kx7 n MET 58 Ca -0.21 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.01 1kx7 n MET 58 Cb 0.66 -1.96 -0.10 0.00 2.15 0.00 0.00 33.22 33.97 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 n THR 60 N -0.60 0.00 -2.43 0.00 -1.04 -1.26 -4.87 114.28 104.08 1kx7 n THR 60 Ca -0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1kx7 n THR 60 Cb 0.65 -0.09 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1kx7 n ASP 61 N -0.08 6.41 -4.19 8.00 2.03 -1.26 -4.95 116.55 122.52 1kx7 n ASP 61 Ca 0.00 -3.25 -0.31 0.00 0.52 0.00 0.00 54.79 51.74 1kx7 n ASP 61 Cb 0.00 -1.37 -0.17 0.00 -0.72 0.00 0.00 41.12 38.87 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 s THR 63 N 0.46 1.58 0.22 0.00 2.01 -1.26 -4.96 115.64 113.68 1kx7 s THR 63 Ca -0.17 -1.21 0.07 0.00 0.31 0.00 0.00 61.69 60.70 1kx7 s THR 63 Cb -0.17 -1.39 0.25 0.00 0.01 0.00 0.00 72.50 71.19 1kx7 s THR 63 CO 0.07 0.13 1.00 0.47 -0.69 0.00 0.00 174.62 175.60 1kx7 n ASP 64 N 1.75 0.08 -0.14 3.53 9.92 -1.26 -0.71 116.55 129.71 1kx7 n ASP 64 Ca -0.18 1.07 -0.04 0.00 -0.53 0.00 0.00 54.79 55.12 1kx7 n ASP 64 Cb 0.54 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1kx7 n GLU 65 N -4.63 -0.15 -0.08 -1.24 -0.58 -1.26 -0.15 120.64 112.55 1kx7 n GLU 65 Ca 0.20 0.60 -0.06 0.00 -0.42 0.00 0.00 57.16 57.48 1kx7 n GLU 65 Cb 0.66 -0.89 -0.15 0.00 -0.57 0.00 0.00 31.44 30.50 1kx7 n GLU 65 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1kx7 n ASP 66 N -4.11 0.46 -0.32 1.62 9.92 0.11 -4.05 116.55 120.18 1kx7 n ASP 66 Ca 0.01 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.36 1kx7 n ASP 66 Cb 0.09 1.13 0.26 0.00 -0.64 0.00 0.00 41.12 41.95 1kx7 n ASP 66 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1kx7 h TYR 67 N 0.00 0.89 0.51 1.24 0.05 -0.82 0.18 116.97 119.02 1kx7 h TYR 67 Ca -0.41 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.38 1kx7 h TYR 67 Cb 1.91 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 39.40 1kx7 h TYR 67 CO 0.00 0.21 -0.24 1.57 -1.05 0.00 0.00 178.16 178.65 1kx7 h LYS 68 N 0.69 -0.66 -0.91 4.88 2.10 -0.74 -2.62 116.57 119.32 1kx7 h LYS 68 Ca 0.51 0.04 0.23 0.00 -2.00 0.00 0.00 60.65 59.43 1kx7 h LYS 68 Cb 0.73 0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.16 1kx7 h LYS 68 CO -0.37 -0.38 0.62 0.00 -2.00 0.00 0.00 179.45 177.32 1kx7 h ALA 69 N -0.38 2.45 -0.37 0.07 0.00 -1.45 0.37 119.26 119.94 1kx7 h ALA 69 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1kx7 h ALA 69 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1kx7 h ALA 69 CO 0.11 -0.73 -0.36 0.00 0.00 0.00 0.00 179.25 178.28 1kx7 h ALA 70 N 1.59 0.67 0.06 0.00 0.00 -0.41 0.17 119.26 121.35 1kx7 h ALA 70 Ca 0.46 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1kx7 h ALA 70 Cb 1.40 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1kx7 h ALA 70 CO -0.12 0.67 -0.38 0.82 0.00 0.00 0.00 179.25 180.23 1kx7 h ILE 71 N 0.71 1.64 -0.89 0.00 2.04 -0.56 -3.33 117.51 117.12 1kx7 h ILE 71 Ca 0.07 -2.38 0.22 0.00 1.00 0.00 0.00 64.86 63.77 1kx7 h ILE 71 Cb 0.92 3.23 -0.12 0.00 -0.74 0.00 0.00 36.82 40.11 1kx7 h ILE 71 CO 0.09 0.65 0.40 -0.33 0.00 0.00 0.00 178.15 178.95 1kx7 h GLU 72 N -0.66 0.40 -0.90 2.37 5.08 -0.41 -1.74 114.58 118.72 1kx7 h GLU 72 Ca -0.07 -0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.52 1kx7 h GLU 72 Cb 1.28 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 1kx7 h GLU 72 CO 0.07 0.27 0.23 0.35 -1.00 0.00 0.00 179.01 178.93 1kx7 h PHE 73 N 0.42 0.33 0.00 4.33 3.04 -0.76 -3.08 116.94 121.22 1kx7 h PHE 73 Ca 0.55 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.56 1kx7 h PHE 73 Cb 1.04 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.55 1kx7 h PHE 73 CO -0.13 -0.26 0.00 -1.33 -2.02 0.00 0.00 178.31 174.57 1kx7 n MET 74 N -5.26 0.00 -1.37 1.11 2.81 -0.67 -4.90 117.12 108.84 1kx7 n MET 74 Ca 0.23 0.47 -0.05 0.00 -1.81 0.00 0.00 57.70 56.53 1kx7 n MET 74 Cb 0.73 -1.08 -0.02 0.00 -0.71 0.00 0.00 33.22 32.15 1kx7 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1kx7 n SER 75 N -1.90 -1.03 -4.17 7.83 2.88 -1.15 -5.04 113.62 111.05 1kx7 n SER 75 Ca 0.00 -1.90 -0.39 0.00 -1.33 0.00 0.00 58.87 55.25 1kx7 n SER 75 Cb 0.00 0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 1kx7 n SER 75 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kx7 n LYS 76 N -0.37 -0.55 0.12 -1.46 0.00 -1.17 -4.81 118.16 109.92 1kx7 n LYS 76 Ca -0.23 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1kx7 n LYS 76 Cb 0.71 -2.86 0.00 0.00 -0.00 0.00 0.00 35.03 32.88 1kx7 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kx7 n ALA 77 N -4.76 2.99 -0.97 0.58 0.00 -1.26 -4.66 120.51 112.43 1kx7 n ALA 77 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1kx7 n ALA 77 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86