#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 -0.96 -1.07 0.00 1.11 -1.26 -5.07 116.67 109.41 1kx7 s ASP -2 Ca 0.00 1.50 -0.19 0.00 0.18 0.00 0.00 52.55 54.03 1kx7 s ASP -2 Cb 0.00 1.56 -0.07 0.00 1.07 0.00 0.00 42.92 45.47 1kx7 s ASP -2 CO 0.00 -0.23 2.00 -0.11 1.18 0.00 0.00 175.17 178.01 1kx7 n LEU -1 N 4.57 4.86 -0.01 1.23 7.94 -1.26 -4.34 117.00 130.00 1kx7 n LEU -1 Ca -0.18 -3.38 0.03 0.00 -1.11 0.00 0.00 56.01 51.36 1kx7 n LEU -1 Cb 0.57 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 1kx7 n LEU -1 CO -0.02 -0.06 -0.62 0.00 -1.11 0.00 0.00 177.39 175.58 1kx7 n GLN 1 N 7.00 0.64 0.00 1.96 3.00 -1.26 -5.08 117.38 123.64 1kx7 n GLN 1 Ca 0.50 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1kx7 n GLN 1 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1kx7 n GLN 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1kx7 n ASP 2 N -1.86 0.00 0.04 1.08 2.03 -1.26 -5.11 116.55 111.48 1kx7 n ASP 2 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1kx7 n ASP 2 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 n ALA 3 N -3.00 1.55 -0.03 -1.67 0.00 -1.26 -4.72 120.51 111.37 1kx7 n ALA 3 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1kx7 n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.08 -0.05 0.00 4.81 -1.90 -1.73 114.58 115.80 1kx7 h GLU 4 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1kx7 h GLU 4 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1kx7 h GLU 4 CO 0.00 0.06 -0.36 0.00 -0.73 0.00 0.00 179.01 177.98 1kx7 h ALA 5 N 1.14 1.31 0.09 2.92 0.00 -1.90 0.15 119.26 122.98 1kx7 h ALA 5 Ca 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1kx7 h ALA 5 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kx7 h ALA 5 CO -0.12 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.40 1kx7 h ILE 6 N 0.08 1.12 -0.34 0.00 5.03 -1.74 0.23 117.51 121.89 1kx7 h ILE 6 Ca 0.01 -0.85 -0.10 0.00 -0.12 0.00 0.00 64.86 63.80 1kx7 h ILE 6 Cb 0.68 1.66 -0.01 0.00 -3.03 0.00 0.00 36.82 36.12 1kx7 h ILE 6 CO 0.05 0.21 -0.17 0.10 -0.68 0.00 0.00 178.15 177.66 1kx7 h TYR 7 N -0.52 0.83 0.00 1.37 -0.00 -1.10 0.30 116.97 117.85 1kx7 h TYR 7 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 58.73 58.49 1kx7 h TYR 7 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.97 1kx7 h TYR 7 CO 0.05 0.92 -0.09 -0.97 -0.00 0.00 0.00 178.16 178.08 1kx7 h ASN 8 N 0.50 0.00 0.43 0.10 -1.24 -0.70 0.19 115.58 114.86 1kx7 h ASN 8 Ca 0.08 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.70 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 1kx7 h ASN 8 CO 0.05 0.09 -1.77 1.17 -1.29 0.00 0.00 177.43 175.68 1kx7 n LYS 9 N -3.33 0.64 -0.01 6.67 4.81 0.06 -4.69 118.16 122.32 1kx7 n LYS 9 Ca -0.01 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.69 1kx7 n LYS 9 Cb 0.28 -1.77 -0.01 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.60 1.70 -0.56 3.14 0.00 0.09 -4.68 120.51 117.59 1kx7 n ALA 10 Ca -0.19 -0.25 -0.04 0.00 0.00 0.00 0.00 53.44 52.96 1kx7 n ALA 10 Cb 1.06 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.52 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 1.98 0.00 -0.12 0.00 5.66 -1.12 -3.81 114.28 116.87 1kx7 n THR 12 Ca 0.13 -0.38 -0.23 0.00 -3.05 0.00 0.00 64.05 60.52 1kx7 n THR 12 Cb 0.54 1.16 -0.09 0.00 -1.55 0.00 0.00 70.33 70.39 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 -0.25 1.28 -0.02 1.08 0.31 -1.25 -4.39 118.33 115.09 1kx7 n VAL 13 Ca 0.00 -0.36 -0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1kx7 n VAL 13 Cb 0.04 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.37 0.00 0.37 0.00 -0.00 -1.84 0.50 115.15 113.81 1kx7 h HIS 15 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1kx7 h HIS 15 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1kx7 h HIS 15 CO -0.04 0.00 -0.18 1.03 -0.00 0.00 0.00 177.93 178.74 1kx7 h SER 16 N 0.00 -0.43 0.30 2.45 0.87 -1.77 -2.53 113.55 112.44 1kx7 h SER 16 Ca 0.00 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1kx7 h SER 16 Cb 0.67 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1kx7 h SER 16 CO 0.00 -0.12 -1.71 0.80 -0.53 0.00 0.00 176.83 175.27 1kx7 n MET 17 N -5.21 0.64 -1.59 2.24 1.56 -1.18 -4.80 117.12 108.79 1kx7 n MET 17 Ca -0.10 -0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 1kx7 n MET 17 Cb 0.27 -1.61 0.00 0.00 2.15 0.00 0.00 33.22 34.03 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 1.24 0.84 3.87 -5.12 0.00 0.15 -5.06 105.19 101.11 1kx7 n GLY 18 Ca -0.03 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.58 4.72 -1.92 1.61 1.01 0.14 -3.77 120.40 119.60 1kx7 s VAL 19 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1kx7 s VAL 19 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1kx7 s VAL 19 CO 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 175.10 174.05 1kx7 n ALA 20 N -2.53 -0.28 -1.63 5.51 0.00 -1.26 -0.71 120.51 119.62 1kx7 n ALA 20 Ca 0.05 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 1kx7 n ALA 20 Cb 0.54 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.32 0.57 3.77 0.00 0.00 -1.25 -5.02 105.19 102.95 1kx7 n GLY 21 Ca -0.18 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.33 3.09 0.40 4.61 0.00 0.11 -5.02 121.76 122.61 1kx7 s ALA 22 Ca 0.00 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1kx7 s ALA 22 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1kx7 s ALA 22 CO 0.00 -0.42 1.05 -1.25 0.00 0.00 0.00 175.76 175.15 1kx7 s PRO 23 N -2.45 4.17 0.63 0.00 0.04 -1.26 -4.48 135.00 131.65 1kx7 s PRO 23 Ca 0.59 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1kx7 s PRO 23 Cb -0.27 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1kx7 s PRO 23 CO 0.33 -0.14 1.16 0.15 0.04 0.00 0.00 177.00 178.55 1kx7 s LYS 24 N -2.48 2.80 0.47 4.56 1.02 -1.26 -4.69 119.74 120.16 1kx7 s LYS 24 Ca 0.58 1.64 0.26 0.00 0.02 0.00 0.00 55.97 58.47 1kx7 s LYS 24 Cb -0.22 -1.93 1.31 0.00 -0.52 0.00 0.00 37.83 36.47 1kx7 s LYS 24 CO 0.28 -1.30 1.81 0.66 -0.92 0.00 0.00 175.35 175.88 1kx7 h SER 25 N 0.42 0.23 -1.97 2.83 4.64 -1.76 -3.31 113.55 114.64 1kx7 h SER 25 Ca -0.49 0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1kx7 h SER 25 Cb 1.28 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.01 1kx7 h SER 25 CO 0.54 0.05 -1.00 0.00 -0.87 0.00 0.00 176.83 175.55 1kx7 n HIS 26 N -4.42 -0.92 -3.57 4.77 -0.00 -1.26 -4.76 115.22 105.06 1kx7 n HIS 26 Ca 0.24 -3.26 -0.20 0.00 -0.00 0.00 0.00 57.72 54.50 1kx7 n HIS 26 Cb 1.00 0.08 -0.02 0.00 -0.00 0.00 0.00 29.99 31.05 1kx7 n HIS 26 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kx7 s ASN 27 N -0.66 5.54 -0.12 4.39 0.01 -1.25 -5.07 114.94 117.79 1kx7 s ASN 27 Ca 0.34 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 1kx7 s ASN 27 Cb 0.12 -0.98 -0.10 0.00 0.41 0.00 0.00 41.25 40.70 1kx7 s ASN 27 CO -0.15 -0.46 -0.05 1.07 -1.51 0.00 0.00 177.10 175.99 1kx7 n THR 28 N -1.54 0.71 0.16 1.60 5.66 -1.26 -4.50 114.28 115.10 1kx7 n THR 28 Ca 0.01 -0.34 0.05 0.00 -3.05 0.00 0.00 64.05 60.72 1kx7 n THR 28 Cb 0.59 -0.87 0.06 0.00 -1.55 0.00 0.00 70.33 68.57 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 0.19 0.75 0.00 1.79 0.00 -1.99 0.11 119.26 120.11 1kx7 h ALA 29 Ca -0.28 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.08 1kx7 h ALA 29 Cb 1.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1kx7 h ALA 29 CO -0.02 0.49 -0.94 0.22 0.00 0.00 0.00 179.25 179.00 1kx7 h ASP 30 N 0.00 0.00 0.19 0.00 1.82 -1.98 -3.35 116.42 113.10 1kx7 h ASP 30 Ca -0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.28 1kx7 h ASP 30 Cb 1.29 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1kx7 h ASP 30 CO 0.05 0.94 -1.93 -0.50 -1.61 0.00 0.00 179.24 176.20 1kx7 h TRP 31 N 0.00 0.44 -0.78 0.28 4.06 -1.75 -3.40 115.95 114.80 1kx7 h TRP 31 Ca -0.01 -0.32 0.07 0.00 2.06 0.00 0.00 58.89 60.69 1kx7 h TRP 31 Cb 1.68 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.73 1kx7 h TRP 31 CO 0.00 1.67 -0.46 0.39 -3.56 0.00 0.00 178.44 176.48 1kx7 n GLU 32 N -3.44 -0.34 0.00 0.49 1.02 0.36 -0.81 120.64 117.93 1kx7 n GLU 32 Ca -0.29 1.37 0.08 0.00 -0.02 0.00 0.00 57.16 58.30 1kx7 n GLU 32 Cb 1.05 -2.02 0.45 0.00 -0.02 0.00 0.00 31.44 30.90 1kx7 n GLU 32 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1kx7 n PRO 33 N -4.77 0.41 -0.13 3.49 -0.04 -1.26 -2.51 135.00 130.19 1kx7 n PRO 33 Ca 0.02 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.26 1kx7 n PRO 33 Cb 0.20 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.09 0.61 0.01 0.54 5.12 0.01 -4.30 116.66 117.55 1kx7 n ARG 34 Ca 0.10 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 1kx7 n ARG 34 Cb 0.08 -1.52 0.02 0.00 -1.16 0.00 0.00 32.46 29.88 1kx7 n ARG 34 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1kx7 n LEU 35 N -4.00 0.02 0.13 0.55 0.00 -0.15 -1.28 117.00 112.26 1kx7 n LEU 35 Ca -0.50 0.51 0.00 0.00 0.00 0.00 0.00 56.01 56.02 1kx7 n LEU 35 Cb 0.90 -0.51 0.12 0.00 0.00 0.00 0.00 43.42 43.93 1kx7 n LEU 35 CO 0.11 -0.51 0.46 0.00 0.00 0.00 0.00 177.39 177.45 1kx7 h ALA 36 N 2.01 0.76 0.00 1.96 0.00 -1.68 -3.32 119.26 119.00 1kx7 h ALA 36 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1kx7 h ALA 36 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1kx7 h ALA 36 CO 0.00 0.76 -0.96 1.63 0.00 0.00 0.00 179.25 180.68 1kx7 n LYS 37 N -3.49 0.50 0.00 0.00 5.02 -0.40 -5.13 118.16 114.66 1kx7 n LYS 37 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1kx7 n LYS 37 Cb 0.69 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kx7 n GLY 38 N 1.51 -0.46 2.09 0.72 0.00 -0.82 -5.03 105.19 103.20 1kx7 n GLY 38 Ca -0.18 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1kx7 n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kx7 n VAL 39 N 0.00 0.00 0.00 1.61 3.14 -1.26 -3.78 118.33 118.04 1kx7 n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kx7 n VAL 39 Cb 0.00 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1kx7 n ASP 40 N -3.14 0.00 0.24 6.55 9.92 -1.26 -1.50 116.55 127.35 1kx7 n ASP 40 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1kx7 n ASP 40 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1kx7 h ASN 41 N 0.00 -0.56 1.90 -2.24 2.35 -1.92 -3.35 115.58 111.75 1kx7 h ASN 41 Ca 0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1kx7 h ASN 41 Cb 0.00 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1kx7 h ASN 41 CO 0.00 -0.14 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.47 1kx7 h LEU 42 N -1.15 0.00 -1.63 1.61 4.07 -1.53 -0.27 115.31 116.41 1kx7 h LEU 42 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1kx7 h LEU 42 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1kx7 h LEU 42 CO 0.11 0.09 0.03 1.62 -1.08 0.00 0.00 178.44 179.21 1kx7 h VAL 43 N 0.00 0.00 0.12 1.22 3.04 -1.73 0.17 116.25 119.07 1kx7 h VAL 43 Ca -0.00 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 65.40 1kx7 h VAL 43 Cb 1.07 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1kx7 h VAL 43 CO 0.01 0.00 -1.41 0.11 -1.01 0.00 0.00 177.57 175.27 1kx7 h LYS 44 N 0.00 0.25 -0.21 4.17 1.79 -1.17 -3.27 116.57 118.13 1kx7 h LYS 44 Ca 0.00 -0.43 -0.08 0.00 -2.18 0.00 0.00 60.65 57.96 1kx7 h LYS 44 Cb 0.07 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1kx7 h LYS 44 CO 0.00 1.14 -0.20 1.03 -1.08 0.00 0.00 179.45 180.35 1kx7 h SER 45 N 0.07 0.53 -0.86 0.86 0.87 -0.83 -2.79 113.55 111.40 1kx7 h SER 45 Ca -0.19 -0.47 0.04 0.00 -1.23 0.00 0.00 61.79 59.93 1kx7 h SER 45 Cb 1.99 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 63.75 1kx7 h SER 45 CO 0.18 0.89 0.55 1.62 -0.53 0.00 0.00 176.83 179.54 1kx7 h VAL 46 N 0.18 1.13 0.00 2.23 3.04 -1.03 0.34 116.25 122.14 1kx7 h VAL 46 Ca 0.03 -0.37 -0.10 0.00 -1.01 0.00 0.00 66.70 65.26 1kx7 h VAL 46 Cb 0.74 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1kx7 h VAL 46 CO 0.05 0.19 -0.46 0.07 -1.01 0.00 0.00 177.57 176.41 1kx7 h LYS 47 N 1.07 0.00 0.01 4.17 2.10 -1.60 -1.82 116.57 120.50 1kx7 h LYS 47 Ca 0.34 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.77 1kx7 h LYS 47 Cb 0.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1kx7 h LYS 47 CO -0.12 0.46 -0.95 1.15 -2.00 0.00 0.00 179.45 177.99 1kx7 h THR 48 N 0.00 1.43 -2.41 0.07 2.02 -1.01 0.18 112.91 113.19 1kx7 h THR 48 Ca -0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1kx7 h THR 48 Cb 0.90 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1kx7 h THR 48 CO 0.06 0.75 0.00 0.61 0.37 0.00 0.00 175.52 177.31 1kx7 n GLY 49 N 0.97 -2.75 3.58 2.16 0.00 0.11 -4.25 105.19 105.01 1kx7 n GLY 49 Ca -0.06 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1kx7 n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kx7 s LEU 50 N 0.00 0.78 0.15 0.99 2.96 -1.25 -4.73 118.68 117.58 1kx7 s LEU 50 Ca 0.00 0.91 -0.24 0.00 -0.22 0.00 0.00 54.13 54.58 1kx7 s LEU 50 Cb 0.00 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1kx7 s LEU 50 CO 0.00 -3.97 1.60 0.78 -1.32 0.00 0.00 176.35 173.44 1kx7 h ASN 51 N -2.47 -1.06 -0.28 3.68 2.35 -1.98 0.24 115.58 116.07 1kx7 h ASN 51 Ca -0.50 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1kx7 h ASN 51 Cb 1.32 0.48 0.00 0.00 0.05 0.00 0.00 38.32 40.16 1kx7 h ASN 51 CO 0.43 -0.34 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 1kx7 n ALA 52 N -2.93 2.85 -2.42 -0.83 0.00 -1.26 -4.90 120.51 111.02 1kx7 n ALA 52 Ca -0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.42 1kx7 n ALA 52 Cb 0.33 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 1kx7 n ALA 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kx7 s MET 53 N -1.69 1.63 0.31 0.00 -1.94 0.86 -5.07 119.30 113.39 1kx7 s MET 53 Ca 0.23 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 53.00 1kx7 s MET 53 Cb 0.16 -1.70 -0.10 0.00 2.01 0.00 0.00 34.83 35.20 1kx7 s MET 53 CO 0.10 0.45 1.23 -1.25 -0.01 0.00 0.00 175.02 175.54 1kx7 s PRO 54 N -0.95 4.46 0.02 2.03 0.04 -1.26 -3.78 135.00 135.56 1kx7 s PRO 54 Ca 0.09 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1kx7 s PRO 54 Cb -0.09 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1kx7 s PRO 54 CO 0.01 -0.04 1.94 -1.25 0.04 0.00 0.00 177.00 177.69 1kx7 s PRO 55 N -1.65 4.14 0.00 0.56 0.04 -1.26 -0.74 135.00 136.09 1kx7 s PRO 55 Ca 0.47 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1kx7 s PRO 55 Cb -0.37 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1kx7 s PRO 55 CO 0.48 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1kx7 n GLY 56 N 4.51 0.65 2.81 0.56 0.00 0.61 -4.33 105.19 110.01 1kx7 n GLY 56 Ca 0.20 -0.19 -0.10 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 -2.65 0.91 4.34 -0.02 0.00 0.08 -3.15 105.19 104.69 1kx7 n GLY 57 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.59 -1.42 -0.49 1.61 1.56 -1.26 -4.70 117.12 111.82 1kx7 n MET 58 Ca -0.10 0.18 0.04 0.00 -0.27 0.00 0.00 57.70 57.56 1kx7 n MET 58 Cb 0.58 -4.24 0.20 0.00 2.15 0.00 0.00 33.22 31.91 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 -1.05 0.00 -1.26 0.00 -1.04 -1.26 -3.73 114.28 105.93 1kx7 n THR 60 Ca 0.23 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.87 1kx7 n THR 60 Cb 0.84 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.32 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 61 N 6.21 8.48 -4.55 8.00 9.92 -1.26 -4.92 116.55 138.42 1kx7 n ASP 61 Ca 0.00 -2.55 -0.28 0.00 -0.53 0.00 0.00 54.79 51.43 1kx7 n ASP 61 Cb 0.00 -1.52 -0.04 0.00 -0.64 0.00 0.00 41.12 38.91 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 12.91 5.09 0.38 0.00 -1.32 -1.26 -4.87 115.64 126.57 1kx7 s THR 63 Ca 0.94 1.27 0.24 0.00 -1.21 0.00 0.00 61.69 62.92 1kx7 s THR 63 Cb -0.15 -3.96 0.39 0.00 -1.51 0.00 0.00 72.50 67.26 1kx7 s THR 63 CO 0.19 0.27 1.49 0.47 -2.21 0.00 0.00 174.62 174.82 1kx7 n ASP 64 N 3.81 0.28 -0.26 8.08 9.92 -1.26 -0.09 116.55 137.03 1kx7 n ASP 64 Ca -0.03 1.47 -0.12 0.00 -0.53 0.00 0.00 54.79 55.58 1kx7 n ASP 64 Cb 0.51 -0.72 -0.09 0.00 -0.64 0.00 0.00 41.12 40.19 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1kx7 h GLU 65 N 0.00 -0.21 0.19 -1.24 5.08 -1.99 0.17 114.58 116.58 1kx7 h GLU 65 Ca 0.81 0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.88 1kx7 h GLU 65 Cb 2.34 0.05 0.02 0.00 0.50 0.00 0.00 28.75 31.66 1kx7 h GLU 65 CO -0.62 -0.14 -1.40 -0.44 -1.00 0.00 0.00 179.01 175.41 1kx7 h ASP 66 N -0.22 0.61 -0.50 1.42 3.32 -0.78 -2.90 116.42 117.37 1kx7 h ASP 66 Ca 0.13 -0.68 0.07 0.00 0.02 0.00 0.00 57.03 56.57 1kx7 h ASP 66 Cb 0.52 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1kx7 h ASP 66 CO -0.75 1.54 0.15 0.22 -1.72 0.00 0.00 179.24 178.68 1kx7 h TYR 67 N 0.11 0.26 -0.05 4.55 5.03 -0.63 0.12 116.97 126.36 1kx7 h TYR 67 Ca -0.21 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.08 1kx7 h TYR 67 Cb 2.07 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 40.31 1kx7 h TYR 67 CO 0.09 0.06 -0.17 1.57 -1.32 0.00 0.00 178.16 178.40 1kx7 h LYS 68 N 0.31 0.20 -0.96 1.82 2.10 -0.77 -3.03 116.57 116.24 1kx7 h LYS 68 Ca 0.24 -0.15 0.25 0.00 -2.00 0.00 0.00 60.65 58.99 1kx7 h LYS 68 Cb 0.29 0.03 -0.13 0.00 -0.90 0.00 0.00 32.23 31.52 1kx7 h LYS 68 CO -0.27 0.78 0.51 0.00 -2.00 0.00 0.00 179.45 178.47 1kx7 h ALA 69 N 0.42 1.67 0.37 0.07 0.00 -1.25 0.26 119.26 120.80 1kx7 h ALA 69 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1kx7 h ALA 69 Cb 0.80 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1kx7 h ALA 69 CO 0.04 -0.35 -0.18 0.00 0.00 0.00 0.00 179.25 178.76 1kx7 h ALA 70 N 1.74 -0.50 -0.04 0.00 0.00 -0.67 0.22 119.26 120.02 1kx7 h ALA 70 Ca 0.63 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1kx7 h ALA 70 Cb 1.23 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1kx7 h ALA 70 CO -0.52 -0.76 -0.58 -0.84 0.00 0.00 0.00 179.25 176.54 1kx7 h ILE 71 N -0.54 1.40 -0.97 0.00 3.07 -1.22 -2.15 117.51 117.11 1kx7 h ILE 71 Ca -0.05 -1.96 0.04 0.00 1.55 0.00 0.00 64.86 64.44 1kx7 h ILE 71 Cb 0.41 2.02 -0.06 0.00 -0.27 0.00 0.00 36.82 38.91 1kx7 h ILE 71 CO 0.08 0.57 0.63 -0.33 -1.05 0.00 0.00 178.15 178.05 1kx7 h GLU 72 N 0.10 1.16 -0.78 0.16 5.08 -0.43 -2.53 114.58 117.34 1kx7 h GLU 72 Ca -0.00 -0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1kx7 h GLU 72 Cb 1.06 -0.26 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 1kx7 h GLU 72 CO 0.08 0.77 0.35 0.35 -1.00 0.00 0.00 179.01 179.56 1kx7 h PHE 73 N 1.19 0.60 0.00 4.33 3.04 0.13 -3.06 116.94 123.17 1kx7 h PHE 73 Ca 0.40 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.38 1kx7 h PHE 73 Cb 0.05 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.42 1kx7 h PHE 73 CO -0.01 0.11 0.00 -1.33 -2.02 0.00 0.00 178.31 175.06 1kx7 n MET 74 N -4.95 0.00 -1.19 1.11 2.81 -1.07 -4.86 117.12 108.97 1kx7 n MET 74 Ca 0.15 0.48 -0.05 0.00 -1.81 0.00 0.00 57.70 56.47 1kx7 n MET 74 Cb 0.42 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 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 -1.94 -0.94 -3.93 7.83 2.88 -1.13 -4.98 113.62 111.41 1kx7 n SER 75 Ca 0.00 -1.80 -0.26 0.00 -1.33 0.00 0.00 58.87 55.48 1kx7 n SER 75 Cb 0.00 0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.21 -0.89 0.00 -1.46 2.85 -0.98 -4.78 118.16 112.69 1kx7 n LYS 76 Ca -0.23 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1kx7 n LYS 76 Cb 0.67 -2.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 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 -3.84 2.98 -0.57 0.58 0.00 -1.26 -4.51 120.51 113.90 1kx7 n ALA 77 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1kx7 n ALA 77 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86