#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 n ASP -2 N 0.00 -1.32 -3.61 0.00 5.75 -1.26 -5.01 116.55 111.10 1kx7 n ASP -2 Ca 0.00 -2.06 -0.27 0.00 -0.01 0.00 0.00 54.79 52.44 1kx7 n ASP -2 Cb 0.00 0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 40.65 1kx7 n ASP -2 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1kx7 n LEU -1 N -1.15 3.24 -0.01 -2.12 7.94 -1.26 -4.69 117.00 118.96 1kx7 n LEU -1 Ca -0.14 -5.30 0.02 0.00 -1.11 0.00 0.00 56.01 49.49 1kx7 n LEU -1 Cb 0.81 -0.63 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 1kx7 n LEU -1 CO -0.12 1.93 -0.58 0.00 -1.11 0.00 0.00 177.39 177.51 1kx7 n GLN 1 N 1.36 0.50 -3.65 1.96 6.02 -1.26 -5.03 117.38 117.27 1kx7 n GLN 1 Ca 0.26 -0.05 -0.05 0.00 -0.01 0.00 0.00 57.00 57.15 1kx7 n GLN 1 Cb 0.39 -1.13 -0.07 0.00 1.02 0.00 0.00 30.24 30.45 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1kx7 s ASP 2 N -2.76 -0.75 0.36 1.08 -1.08 -1.26 -5.04 116.67 107.22 1kx7 s ASP 2 Ca -0.02 1.32 0.18 0.00 -0.52 0.00 0.00 52.55 53.51 1kx7 s ASP 2 Cb 0.03 1.85 1.18 0.00 -1.46 0.00 0.00 42.92 44.52 1kx7 s ASP 2 CO 0.23 -0.23 1.65 0.00 0.52 0.00 0.00 175.17 177.35 1kx7 h ALA 3 N 8.03 2.12 -0.34 3.66 0.00 -1.90 0.30 119.26 131.13 1kx7 h ALA 3 Ca -0.18 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1kx7 h ALA 3 Cb 1.11 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1kx7 h ALA 3 CO 0.11 -0.75 0.10 1.49 0.00 0.00 0.00 179.25 180.20 1kx7 h GLU 4 N 0.25 0.23 -0.15 0.00 4.81 -1.90 -0.19 114.58 117.62 1kx7 h GLU 4 Ca 0.76 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.87 1kx7 h GLU 4 Cb 1.88 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 1kx7 h GLU 4 CO -0.58 0.15 -0.35 0.00 -0.73 0.00 0.00 179.01 177.50 1kx7 h ALA 5 N 1.23 1.12 0.16 2.92 0.00 -0.93 0.10 119.26 123.87 1kx7 h ALA 5 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1kx7 h ALA 5 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kx7 h ALA 5 CO -0.18 0.56 -0.08 0.82 0.00 0.00 0.00 179.25 180.38 1kx7 h ILE 6 N 0.27 0.96 -0.38 0.00 1.08 -0.49 0.94 117.51 119.88 1kx7 h ILE 6 Ca 0.03 -0.54 -0.12 0.00 -0.39 0.00 0.00 64.86 63.85 1kx7 h ILE 6 Cb 0.75 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1kx7 h ILE 6 CO 0.06 0.13 -0.21 0.10 -0.69 0.00 0.00 178.15 177.53 1kx7 h TYR 7 N -0.47 0.95 0.00 1.37 -0.00 -0.84 0.23 116.97 118.20 1kx7 h TYR 7 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 58.73 58.44 1kx7 h TYR 7 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 1kx7 h TYR 7 CO 0.01 1.01 -0.12 -0.97 -0.00 0.00 0.00 178.16 178.09 1kx7 h ASN 8 N 0.62 0.00 0.32 0.10 -1.24 -0.78 0.14 115.58 114.74 1kx7 h ASN 8 Ca 0.08 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.82 1kx7 h ASN 8 Cb 0.77 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 1kx7 h ASN 8 CO 0.06 0.12 -1.91 1.17 -1.29 0.00 0.00 177.43 175.57 1kx7 n LYS 9 N -3.33 0.65 -0.02 6.67 0.00 0.32 -4.71 118.16 117.73 1kx7 n LYS 9 Ca -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 58.31 58.41 1kx7 n LYS 9 Cb 0.32 -1.68 -0.01 0.00 0.00 0.00 0.00 35.03 33.66 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kx7 n ALA 10 N -2.57 1.43 0.13 3.14 0.00 0.78 -4.66 120.51 118.77 1kx7 n ALA 10 Ca -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1kx7 n ALA 10 Cb 1.01 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.53 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 1.15 0.00 -0.11 0.00 5.66 -1.18 -3.85 114.28 115.96 1kx7 n THR 12 Ca 0.00 -0.38 -0.21 0.00 -3.05 0.00 0.00 64.05 60.41 1kx7 n THR 12 Cb 0.41 1.21 -0.08 0.00 -1.55 0.00 0.00 70.33 70.32 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 -0.12 1.17 -0.03 1.08 0.31 -1.25 -4.36 118.33 115.14 1kx7 n VAL 13 Ca 0.00 -0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 63.99 1kx7 n VAL 13 Cb 0.05 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.45 0.00 -0.38 0.00 3.86 -1.84 0.37 115.15 116.72 1kx7 h HIS 15 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1kx7 h HIS 15 Cb 0.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1kx7 h HIS 15 CO -0.04 0.06 0.09 0.77 0.86 0.00 0.00 177.93 179.66 1kx7 h SER 16 N 0.00 0.58 0.00 2.45 0.02 -1.76 -3.23 113.55 111.61 1kx7 h SER 16 Ca -0.00 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1kx7 h SER 16 Cb 0.76 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1kx7 h SER 16 CO 0.01 0.67 -1.99 0.23 -1.14 0.00 0.00 176.83 174.61 1kx7 n MET 17 N -4.57 0.72 -1.67 3.45 2.81 -1.16 -4.92 117.12 111.77 1kx7 n MET 17 Ca -0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1kx7 n MET 17 Cb 0.21 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kx7 n GLY 18 N 1.54 0.88 3.91 3.03 0.00 0.11 -5.08 105.19 109.58 1kx7 n GLY 18 Ca -0.11 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.64 4.92 -1.35 1.61 1.01 0.07 -4.01 120.40 120.00 1kx7 s VAL 19 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1kx7 s VAL 19 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1kx7 s VAL 19 CO 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 175.10 174.27 1kx7 n ALA 20 N -2.20 -0.19 -1.04 5.51 0.00 -1.26 -0.80 120.51 120.52 1kx7 n ALA 20 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1kx7 n ALA 20 Cb 0.55 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 0.14 0.51 3.73 0.00 0.00 -1.26 -5.02 105.19 103.29 1kx7 n GLY 21 Ca -0.13 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.01 3.63 0.36 4.61 0.00 0.02 -4.97 121.76 123.39 1kx7 s ALA 22 Ca 0.00 1.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 1kx7 s ALA 22 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1kx7 s ALA 22 CO 0.00 -0.68 1.32 -1.25 0.00 0.00 0.00 175.76 175.15 1kx7 s PRO 23 N 0.31 4.22 0.46 0.00 0.04 -1.26 -4.51 135.00 134.26 1kx7 s PRO 23 Ca 0.62 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.65 1kx7 s PRO 23 Cb -0.40 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1kx7 s PRO 23 CO 0.37 -0.31 1.25 0.15 0.04 0.00 0.00 177.00 178.50 1kx7 s LYS 24 N -1.96 3.68 0.36 4.56 1.02 -1.26 -4.81 119.74 121.32 1kx7 s LYS 24 Ca 0.52 2.00 0.12 0.00 0.02 0.00 0.00 55.97 58.62 1kx7 s LYS 24 Cb -0.40 -2.48 0.91 0.00 -0.52 0.00 0.00 37.83 35.34 1kx7 s LYS 24 CO 0.52 -0.68 1.81 0.66 -0.92 0.00 0.00 175.35 176.74 1kx7 h SER 25 N 2.11 0.61 -0.78 2.83 4.64 -1.91 -3.11 113.55 117.93 1kx7 h SER 25 Ca -0.50 0.07 -0.52 0.00 -0.47 0.00 0.00 61.79 60.38 1kx7 h SER 25 Cb 1.26 -0.04 -0.43 0.00 -0.31 0.00 0.00 62.40 62.89 1kx7 h SER 25 CO 0.60 0.22 -0.85 0.00 -0.87 0.00 0.00 176.83 175.93 1kx7 n HIS 26 N -4.65 2.64 -2.28 4.77 1.44 -1.26 -4.52 115.22 111.36 1kx7 n HIS 26 Ca 0.22 -2.29 -0.27 0.00 -2.01 0.00 0.00 57.72 53.37 1kx7 n HIS 26 Cb 0.65 -0.31 0.04 0.00 0.12 0.00 0.00 29.99 30.49 1kx7 n HIS 26 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1kx7 s ASN 27 N -3.61 5.47 -0.18 4.39 0.01 -1.18 -5.03 114.94 114.81 1kx7 s ASN 27 Ca 0.48 0.76 0.08 0.00 -0.71 0.00 0.00 52.86 53.47 1kx7 s ASN 27 Cb 0.40 -1.67 -0.16 0.00 0.41 0.00 0.00 41.25 40.22 1kx7 s ASN 27 CO 0.01 -1.18 -0.06 1.07 -1.51 0.00 0.00 177.10 175.43 1kx7 n THR 28 N -2.70 1.13 0.08 1.60 5.66 -1.26 -4.52 114.28 114.27 1kx7 n THR 28 Ca 0.05 -0.56 -0.09 0.00 -3.05 0.00 0.00 64.05 60.40 1kx7 n THR 28 Cb 0.58 -0.89 -0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kx7 h ALA 29 N 0.40 0.52 0.00 1.79 0.00 -2.00 0.25 119.26 120.22 1kx7 h ALA 29 Ca -0.44 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 53.65 1kx7 h ALA 29 Cb 1.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1kx7 h ALA 29 CO -0.02 0.86 -0.59 -0.44 0.00 0.00 0.00 179.25 179.06 1kx7 h ASP 30 N 0.16 0.00 0.25 0.00 3.32 -1.94 -3.30 116.42 114.90 1kx7 h ASP 30 Ca -0.05 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.66 1kx7 h ASP 30 Cb 1.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.98 1kx7 h ASP 30 CO 0.14 0.59 -1.95 0.79 -1.72 0.00 0.00 179.24 177.08 1kx7 n TRP 31 N -3.68 0.98 -0.28 4.55 7.02 -1.10 -4.48 117.44 120.45 1kx7 n TRP 31 Ca -0.01 0.26 -0.08 0.00 -1.02 0.00 0.00 57.50 56.66 1kx7 n TRP 31 Cb 0.62 -1.15 -0.07 0.00 -2.42 0.00 0.00 31.31 28.29 1kx7 n TRP 31 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1kx7 h GLU 32 N 0.03 -0.01 0.00 -0.99 5.08 -0.58 0.18 114.58 118.30 1kx7 h GLU 32 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1kx7 h GLU 32 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1kx7 h GLU 32 CO 0.07 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 177.72 1kx7 n PRO 33 N -4.54 0.12 -0.13 2.33 -0.04 -1.26 -1.36 135.00 130.13 1kx7 n PRO 33 Ca 0.01 0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 1kx7 n PRO 33 Cb 0.18 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.31 0.62 0.23 0.54 5.12 0.00 -3.86 116.66 118.01 1kx7 n ARG 34 Ca 0.04 0.24 0.10 0.00 -1.93 0.00 0.00 57.85 56.30 1kx7 n ARG 34 Cb 0.08 -1.53 0.52 0.00 -1.16 0.00 0.00 32.46 30.37 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1kx7 h LEU 35 N -0.56 0.00 -0.27 0.55 6.46 -0.45 0.08 115.31 121.12 1kx7 h LEU 35 Ca -0.63 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 56.98 1kx7 h LEU 35 Cb 1.73 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.64 1kx7 h LEU 35 CO -0.26 0.21 -0.75 0.00 -0.62 0.00 0.00 178.44 177.03 1kx7 h ALA 36 N 1.79 0.62 0.03 1.25 0.00 -1.41 -3.27 119.26 118.27 1kx7 h ALA 36 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1kx7 h ALA 36 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kx7 h ALA 36 CO 0.03 0.93 -0.02 0.87 0.00 0.00 0.00 179.25 181.06 1kx7 h LYS 37 N 0.00 -0.04 0.00 0.00 1.79 -1.49 -3.51 116.57 113.32 1kx7 h LYS 37 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1kx7 h LYS 37 Cb 1.45 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 1kx7 h LYS 37 CO 0.10 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.50 1kx7 n GLY 38 N 1.27 -1.02 2.15 3.86 0.00 -0.05 -5.04 105.19 106.36 1kx7 n GLY 38 Ca -0.08 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.63 1.61 0.31 -1.26 -4.16 118.33 115.45 1kx7 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kx7 n VAL 39 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 -3.34 1.20 -0.04 4.52 9.92 -1.26 -2.35 116.55 125.20 1kx7 n ASP 40 Ca 0.00 -1.26 -0.01 0.00 -0.53 0.00 0.00 54.79 52.99 1kx7 n ASP 40 Cb 0.00 -0.31 -0.11 0.00 -0.64 0.00 0.00 41.12 40.05 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 0.41 1.64 -0.13 -2.24 3.02 -1.26 -4.11 115.26 112.59 1kx7 n ASN 41 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1kx7 n ASN 41 Cb 0.23 1.20 -0.12 0.00 -0.61 0.00 0.00 39.78 40.48 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 -2.29 2.71 -0.24 3.41 7.99 -0.99 -4.10 117.00 123.50 1kx7 n LEU 42 Ca -0.14 -0.01 0.15 0.00 -0.01 0.00 0.00 56.01 56.01 1kx7 n LEU 42 Cb 0.70 -0.90 0.46 0.00 -0.11 0.00 0.00 43.42 43.57 1kx7 n LEU 42 CO 0.30 0.84 1.22 1.62 -1.51 0.00 0.00 177.39 179.86 1kx7 h VAL 43 N -0.25 0.76 -0.65 4.08 3.04 -1.81 0.22 116.25 121.65 1kx7 h VAL 43 Ca -0.60 -0.18 0.01 0.00 -1.01 0.00 0.00 66.70 64.92 1kx7 h VAL 43 Cb 1.83 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 1kx7 h VAL 43 CO -0.17 0.10 0.43 0.07 -1.01 0.00 0.00 177.57 176.99 1kx7 h LYS 44 N 0.52 0.85 -0.08 4.17 2.10 -1.75 -2.21 116.57 120.16 1kx7 h LYS 44 Ca 0.44 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.88 1kx7 h LYS 44 Cb 0.92 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1kx7 h LYS 44 CO -0.18 0.56 -0.64 0.77 -2.00 0.00 0.00 179.45 177.96 1kx7 h SER 45 N 0.87 0.37 -0.33 7.07 0.02 -0.84 -1.29 113.55 119.42 1kx7 h SER 45 Ca 0.24 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1kx7 h SER 45 Cb -0.10 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1kx7 h SER 45 CO -0.05 0.91 0.14 1.62 -1.14 0.00 0.00 176.83 178.31 1kx7 h VAL 46 N 0.23 0.94 -0.05 2.27 3.04 -0.68 0.13 116.25 122.14 1kx7 h VAL 46 Ca -0.01 -0.10 -0.07 0.00 -1.01 0.00 0.00 66.70 65.50 1kx7 h VAL 46 Cb 1.18 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1kx7 h VAL 46 CO 0.10 0.05 -0.32 0.07 -1.01 0.00 0.00 177.57 176.47 1kx7 h LYS 47 N 0.30 0.09 -0.08 4.17 2.10 -1.18 -1.86 116.57 120.10 1kx7 h LYS 47 Ca 0.14 -0.03 -0.20 0.00 -2.00 0.00 0.00 60.65 58.57 1kx7 h LYS 47 Cb 0.09 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1kx7 h LYS 47 CO -0.13 0.40 -0.78 0.00 -2.00 0.00 0.00 179.45 176.95 1kx7 h THR 48 N 0.08 1.37 -1.72 0.07 1.03 -0.48 0.11 112.91 113.37 1kx7 h THR 48 Ca 0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 66.41 64.24 1kx7 h THR 48 Cb 0.60 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 1kx7 h THR 48 CO 0.04 0.66 0.00 0.61 -0.01 0.00 0.00 175.52 176.82 1kx7 n GLY 49 N 0.65 -2.20 0.00 2.99 0.00 0.38 -4.28 105.19 102.74 1kx7 n GLY 49 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.05 0.99 -0.00 -1.04 -4.78 117.00 112.23 1kx7 n LEU 50 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1kx7 n LEU 50 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1kx7 n LEU 50 CO 0.00 -0.05 0.18 0.78 -0.00 0.00 0.00 177.39 178.30 1kx7 h ASN 51 N 0.00 -0.14 1.14 1.96 2.35 -1.99 -3.31 115.58 115.59 1kx7 h ASN 51 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1kx7 h ASN 51 Cb 0.00 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1kx7 h ASN 51 CO 0.00 0.01 -0.09 0.00 -1.65 0.00 0.00 177.43 175.70 1kx7 h ALA 52 N -1.70 1.00 -2.46 -0.83 0.00 -1.97 -3.44 119.26 109.86 1kx7 h ALA 52 Ca -0.02 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1kx7 h ALA 52 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1kx7 h ALA 52 CO 0.03 0.11 0.31 -1.64 0.00 0.00 0.00 179.25 178.06 1kx7 s MET 53 N -3.58 4.33 0.55 0.00 -1.94 -1.25 -5.05 119.30 112.36 1kx7 s MET 53 Ca 0.02 0.99 -0.19 0.00 -1.71 0.00 0.00 55.69 54.79 1kx7 s MET 53 Cb 0.09 -3.54 -0.06 0.00 2.01 0.00 0.00 34.83 33.33 1kx7 s MET 53 CO 0.60 -0.23 1.13 -1.25 -0.01 0.00 0.00 175.02 175.26 1kx7 s PRO 54 N 1.81 3.33 -0.10 2.03 0.04 -1.26 -2.48 135.00 138.37 1kx7 s PRO 54 Ca 0.38 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1kx7 s PRO 54 Cb -0.17 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1kx7 s PRO 54 CO 0.14 -0.87 2.06 -1.25 0.04 0.00 0.00 177.00 177.12 1kx7 s PRO 55 N -3.30 3.65 0.00 0.56 0.04 -1.26 -0.83 135.00 133.85 1kx7 s PRO 55 Ca 0.73 2.28 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1kx7 s PRO 55 Cb -0.24 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1kx7 s PRO 55 CO 0.27 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1kx7 n GLY 56 N 5.12 0.89 4.03 0.56 0.00 0.39 -4.62 105.19 111.55 1kx7 n GLY 56 Ca 0.24 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 -0.44 3.48 -0.02 0.00 -0.01 -0.80 105.19 105.18 1kx7 n GLY 57 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.54 0.00 -1.83 1.61 1.56 -1.26 -4.79 117.12 107.87 1kx7 n MET 58 Ca -0.24 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 56.89 1kx7 n MET 58 Cb 0.65 0.00 0.17 0.00 2.15 0.00 0.00 33.22 36.20 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 -3.79 0.00 -1.22 0.00 -2.24 -1.26 -4.26 114.28 101.51 1kx7 n THR 60 Ca 0.14 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.57 1kx7 n THR 60 Cb 0.60 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kx7 n ASP 61 N -1.96 8.02 -4.63 3.42 9.92 -1.26 -4.88 116.55 125.18 1kx7 n ASP 61 Ca 0.00 -2.53 -0.33 0.00 -0.53 0.00 0.00 54.79 51.40 1kx7 n ASP 61 Cb 0.00 -1.49 -0.10 0.00 -0.64 0.00 0.00 41.12 38.89 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kx7 s THR 63 N -1.01 1.65 0.39 0.00 2.01 -1.26 -4.97 115.64 112.45 1kx7 s THR 63 Ca 0.17 -1.59 0.25 0.00 0.31 0.00 0.00 61.69 60.84 1kx7 s THR 63 Cb -0.11 -1.56 0.40 0.00 0.01 0.00 0.00 72.50 71.25 1kx7 s THR 63 CO 0.08 -0.14 1.55 0.47 -0.69 0.00 0.00 174.62 175.89 1kx7 n ASP 64 N 0.95 0.29 -0.29 3.53 9.92 -1.26 -0.76 116.55 128.92 1kx7 n ASP 64 Ca -0.18 1.52 0.00 0.00 -0.53 0.00 0.00 54.79 55.60 1kx7 n ASP 64 Cb 0.54 -0.75 0.05 0.00 -0.64 0.00 0.00 41.12 40.33 1kx7 n ASP 64 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1kx7 n GLU 65 N -5.00 -0.16 -0.07 -1.24 0.28 -1.26 -0.20 120.64 112.99 1kx7 n GLU 65 Ca 0.38 1.18 -0.03 0.00 -0.16 0.00 0.00 57.16 58.54 1kx7 n GLU 65 Cb 1.38 -1.76 -0.16 0.00 1.43 0.00 0.00 31.44 32.33 1kx7 n GLU 65 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1kx7 n ASP 66 N -5.16 0.03 -0.01 -1.84 9.92 -0.27 -4.04 116.55 115.19 1kx7 n ASP 66 Ca 0.09 0.01 -0.13 0.00 -0.53 0.00 0.00 54.79 54.23 1kx7 n ASP 66 Cb 0.32 1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 42.01 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 -0.02 0.05 1.24 0.05 -0.37 -1.87 116.97 116.04 1kx7 h TYR 67 Ca -0.35 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 1kx7 h TYR 67 Cb 1.81 0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.56 1kx7 h TYR 67 CO 0.00 0.47 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.34 1kx7 h LYS 68 N -0.53 -0.06 -0.66 4.88 3.64 -0.82 -2.30 116.57 120.71 1kx7 h LYS 68 Ca -0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 1kx7 h LYS 68 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1kx7 h LYS 68 CO 0.00 0.31 0.69 0.00 -2.27 0.00 0.00 179.45 178.19 1kx7 h ALA 69 N 0.49 2.45 0.20 5.00 0.00 -1.61 0.29 119.26 126.07 1kx7 h ALA 69 Ca -0.01 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1kx7 h ALA 69 Cb 0.40 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1kx7 h ALA 69 CO 0.01 -1.03 -1.65 0.00 0.00 0.00 0.00 179.25 176.58 1kx7 h ALA 70 N 1.24 0.08 -0.08 0.00 0.00 -0.97 -2.96 119.26 116.58 1kx7 h ALA 70 Ca 0.31 -1.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 1kx7 h ALA 70 Cb 1.69 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1kx7 h ALA 70 CO -0.00 0.94 -0.29 0.82 0.00 0.00 0.00 179.25 180.72 1kx7 h ILE 71 N 0.11 1.42 0.00 0.00 2.04 -0.58 -3.24 117.51 117.26 1kx7 h ILE 71 Ca -0.31 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 1kx7 h ILE 71 Cb 2.11 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 40.46 1kx7 h ILE 71 CO 0.21 0.48 -0.19 1.05 0.00 0.00 0.00 178.15 179.69 1kx7 h GLU 72 N -0.15 0.00 -0.56 2.37 -0.00 -0.66 -1.75 114.58 113.83 1kx7 h GLU 72 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.51 1kx7 h GLU 72 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.65 1kx7 h GLU 72 CO 0.06 0.19 0.45 0.35 -0.00 0.00 0.00 179.01 180.07 1kx7 h PHE 73 N 0.00 0.00 0.00 2.06 3.04 -1.54 -3.25 116.94 117.25 1kx7 h PHE 73 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1kx7 h PHE 73 Cb 0.44 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1kx7 h PHE 73 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 178.31 174.96 1kx7 n MET 74 N -4.13 0.00 -2.35 1.11 2.81 -0.66 -4.94 117.12 108.95 1kx7 n MET 74 Ca 0.11 0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 56.04 1kx7 n MET 74 Cb 0.68 -0.41 0.07 0.00 -0.71 0.00 0.00 33.22 32.85 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 -1.13 -0.43 -3.58 7.83 2.88 -1.22 -4.92 113.62 113.04 1kx7 n SER 75 Ca 0.00 -2.12 -0.22 0.00 -1.33 0.00 0.00 58.87 55.21 1kx7 n SER 75 Cb 0.00 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.90 -0.80 0.10 -1.46 2.85 -1.22 -4.72 118.16 112.01 1kx7 n LYS 76 Ca -0.11 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1kx7 n LYS 76 Cb 0.85 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 1kx7 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kx7 n ALA 77 N -2.54 0.00 -0.68 0.58 0.00 -1.26 -4.72 120.51 111.88 1kx7 n ALA 77 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1kx7 n ALA 77 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86