#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 -0.98 -1.15 0.00 1.01 -1.26 -5.07 116.67 109.22 1kx7 s ASP -2 Ca 0.00 1.47 -0.13 0.00 0.71 0.00 0.00 52.55 54.60 1kx7 s ASP -2 Cb 0.00 1.74 -0.07 0.00 1.01 0.00 0.00 42.92 45.61 1kx7 s ASP -2 CO 0.00 -0.22 2.26 0.00 0.21 0.00 0.00 175.17 177.42 1kx7 n LEU -1 N 4.74 5.93 -0.03 1.23 -0.00 -1.26 -4.37 117.00 123.23 1kx7 n LEU -1 Ca -0.16 -3.48 0.02 0.00 -0.00 0.00 0.00 56.01 52.38 1kx7 n LEU -1 Cb 0.55 -1.33 -0.11 0.00 -0.00 0.00 0.00 43.42 42.53 1kx7 n LEU -1 CO -0.03 0.75 -0.79 1.67 -0.00 0.00 0.00 177.39 179.00 1kx7 n GLN 1 N 5.31 0.98 -3.71 1.47 0.00 -1.26 -4.92 117.38 115.25 1kx7 n GLN 1 Ca 0.55 -0.08 -0.16 0.00 -0.00 0.00 0.00 57.00 57.30 1kx7 n GLN 1 Cb 0.29 -1.35 -0.16 0.00 0.00 0.00 0.00 30.24 29.01 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1kx7 s ASP 2 N -4.13 0.50 0.37 1.69 -1.08 -1.26 -5.05 116.67 107.72 1kx7 s ASP 2 Ca -0.06 0.22 0.13 0.00 -0.52 0.00 0.00 52.55 52.32 1kx7 s ASP 2 Cb 0.07 0.10 0.95 0.00 -1.46 0.00 0.00 42.92 42.58 1kx7 s ASP 2 CO 0.60 -0.20 1.80 0.00 0.52 0.00 0.00 175.17 177.89 1kx7 h ALA 3 N 7.91 2.00 -0.25 3.66 0.00 -1.90 0.33 119.26 131.01 1kx7 h ALA 3 Ca -0.26 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1kx7 h ALA 3 Cb 1.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1kx7 h ALA 3 CO 0.27 -0.35 -0.02 1.49 0.00 0.00 0.00 179.25 180.64 1kx7 h GLU 4 N 0.55 0.05 -0.17 0.00 4.81 -1.93 -0.12 114.58 117.77 1kx7 h GLU 4 Ca 0.54 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.66 1kx7 h GLU 4 Cb 1.15 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1kx7 h GLU 4 CO -0.29 0.03 -0.37 0.00 -0.73 0.00 0.00 179.01 177.66 1kx7 h ALA 5 N 1.23 1.05 0.09 2.92 0.00 -1.31 0.32 119.26 123.56 1kx7 h ALA 5 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1kx7 h ALA 5 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kx7 h ALA 5 CO -0.22 0.59 -0.05 0.97 0.00 0.00 0.00 179.25 180.55 1kx7 h ILE 6 N 0.31 1.07 -0.35 0.00 -0.00 -0.02 0.19 117.51 118.72 1kx7 h ILE 6 Ca 0.03 -0.64 -0.12 0.00 -0.00 0.00 0.00 64.86 64.14 1kx7 h ILE 6 Cb 0.80 1.48 -0.01 0.00 -0.00 0.00 0.00 36.82 39.09 1kx7 h ILE 6 CO 0.06 0.16 -0.23 0.10 -0.00 0.00 0.00 178.15 178.24 1kx7 h TYR 7 N -0.42 0.91 0.00 2.19 -0.00 -0.92 0.32 116.97 119.05 1kx7 h TYR 7 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 58.73 58.45 1kx7 h TYR 7 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 1kx7 h TYR 7 CO 0.02 1.00 -0.09 -0.97 -0.00 0.00 0.00 178.16 178.12 1kx7 h ASN 8 N 0.56 0.00 0.37 0.10 -1.24 -0.89 0.18 115.58 114.66 1kx7 h ASN 8 Ca 0.07 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.82 1kx7 h ASN 8 Cb 0.79 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 1kx7 h ASN 8 CO 0.06 0.09 -1.84 1.17 -1.29 0.00 0.00 177.43 175.62 1kx7 n LYS 9 N -3.30 0.65 -0.00 6.67 3.00 0.67 -4.69 118.16 121.14 1kx7 n LYS 9 Ca -0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.46 1kx7 n LYS 9 Cb 0.30 -1.70 -0.00 0.00 0.00 0.00 0.00 35.03 33.63 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 -2.55 1.36 -0.62 3.14 0.00 0.11 -4.69 120.51 117.27 1kx7 n ALA 10 Ca -0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 1kx7 n ALA 10 Cb 0.99 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 20.39 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 2.09 0.00 -0.10 0.00 5.66 -1.13 -3.88 114.28 116.91 1kx7 n THR 12 Ca 0.18 -0.28 -0.12 0.00 -3.05 0.00 0.00 64.05 60.78 1kx7 n THR 12 Cb 0.59 1.20 -0.13 0.00 -1.55 0.00 0.00 70.33 70.44 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 -0.31 1.29 -0.05 1.08 0.31 -1.25 -4.40 118.33 115.01 1kx7 n VAL 13 Ca 0.00 -0.67 -0.05 0.00 -0.01 0.00 0.00 64.34 63.61 1kx7 n VAL 13 Cb 0.05 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.58 0.00 0.00 0.00 3.86 -1.83 0.31 115.15 116.92 1kx7 h HIS 15 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1kx7 h HIS 15 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1kx7 h HIS 15 CO -0.25 0.33 -0.06 1.03 0.86 0.00 0.00 177.93 179.84 1kx7 h SER 16 N 0.00 -0.16 0.00 2.45 0.87 -1.77 -2.55 113.55 112.39 1kx7 h SER 16 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1kx7 h SER 16 Cb 0.92 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1kx7 h SER 16 CO 0.04 -0.08 -1.54 0.80 -0.53 0.00 0.00 176.83 175.52 1kx7 n MET 17 N -5.17 0.76 -1.39 2.24 1.56 -1.20 -4.68 117.12 109.24 1kx7 n MET 17 Ca -0.06 -0.12 0.00 0.00 -0.27 0.00 0.00 57.70 57.25 1kx7 n MET 17 Cb 0.10 -1.36 0.00 0.00 2.15 0.00 0.00 33.22 34.11 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 1.53 0.47 3.96 -5.12 0.00 0.87 -5.02 105.19 101.87 1kx7 n GLY 18 Ca -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 4.62 -2.05 1.61 1.01 0.14 -4.16 120.40 119.17 1kx7 s VAL 19 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1kx7 s VAL 19 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1kx7 s VAL 19 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 175.10 174.70 1kx7 n ALA 20 N -1.81 -0.29 -1.08 5.51 0.00 -1.26 -0.67 120.51 120.90 1kx7 n ALA 20 Ca -0.03 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1kx7 n ALA 20 Cb 0.57 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.29 0.59 3.78 0.00 0.00 -1.26 -4.98 105.19 103.04 1kx7 n GLY 21 Ca -0.19 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.07 2.86 0.54 4.61 0.00 0.15 -5.03 121.76 122.82 1kx7 s ALA 22 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1kx7 s ALA 22 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1kx7 s ALA 22 CO 0.00 -0.55 1.03 -1.25 0.00 0.00 0.00 175.76 174.99 1kx7 s PRO 23 N -3.02 3.63 0.43 0.00 0.04 -1.26 -4.43 135.00 130.40 1kx7 s PRO 23 Ca 0.67 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1kx7 s PRO 23 Cb -0.23 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 1kx7 s PRO 23 CO 0.27 -0.55 1.23 0.15 0.04 0.00 0.00 177.00 178.14 1kx7 s LYS 24 N -3.83 3.85 0.24 4.56 1.02 -1.26 -4.64 119.74 119.67 1kx7 s LYS 24 Ca 0.63 1.97 0.09 0.00 0.02 0.00 0.00 55.97 58.67 1kx7 s LYS 24 Cb -0.14 -2.58 0.77 0.00 -0.52 0.00 0.00 37.83 35.35 1kx7 s LYS 24 CO 0.30 -0.53 1.12 0.43 -0.92 0.00 0.00 175.35 175.75 1kx7 n SER 25 N -0.18 0.09 -3.53 2.83 7.64 -0.96 -3.81 113.62 115.70 1kx7 n SER 25 Ca 0.06 1.20 -0.20 0.00 1.01 0.00 0.00 58.87 60.93 1kx7 n SER 25 Cb 0.46 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1kx7 s HIS 26 N -5.34 -0.14 0.22 1.43 0.00 -1.26 -4.72 115.29 105.48 1kx7 s HIS 26 Ca -0.08 0.07 0.05 0.00 -3.00 0.00 0.00 55.06 52.11 1kx7 s HIS 26 Cb 0.23 -0.46 -0.05 0.00 -4.00 0.00 0.00 32.58 28.30 1kx7 s HIS 26 CO 0.56 -0.57 -0.07 -0.80 -1.00 0.00 0.00 174.74 172.86 1kx7 s ASN 27 N 2.27 2.19 -0.16 7.38 0.01 -1.25 -5.08 114.94 120.29 1kx7 s ASN 27 Ca 0.05 -1.12 0.06 0.00 -0.71 0.00 0.00 52.86 51.14 1kx7 s ASN 27 Cb -0.16 -0.07 -0.14 0.00 0.41 0.00 0.00 41.25 41.30 1kx7 s ASN 27 CO -0.11 -0.36 -0.08 0.41 -1.51 0.00 0.00 177.10 175.45 1kx7 n THR 28 N -0.40 1.00 0.16 1.60 -1.04 -1.26 -4.16 114.28 110.19 1kx7 n THR 28 Ca -0.07 -0.47 0.03 0.00 -2.04 0.00 0.00 64.05 61.50 1kx7 n THR 28 Cb 0.62 -0.94 0.19 0.00 -1.82 0.00 0.00 70.33 68.38 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 0.26 0.84 -0.00 2.41 0.00 -1.99 0.29 119.26 121.07 1kx7 h ALA 29 Ca -0.39 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1kx7 h ALA 29 Cb 1.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1kx7 h ALA 29 CO -0.03 0.62 -0.43 -3.47 0.00 0.00 0.00 179.25 175.94 1kx7 n ASP 30 N -3.46 0.66 -0.05 0.00 -0.08 -1.26 -3.97 116.55 108.40 1kx7 n ASP 30 Ca 0.00 -0.45 -0.05 0.00 -1.51 0.00 0.00 54.79 52.79 1kx7 n ASP 30 Cb 0.62 0.22 -0.07 0.00 2.34 0.00 0.00 41.12 44.22 1kx7 n ASP 30 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1kx7 n TRP 31 N -1.24 0.00 -0.39 -0.67 7.02 -1.04 -4.70 117.44 116.42 1kx7 n TRP 31 Ca 0.08 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.45 1kx7 n TRP 31 Cb 0.34 -0.46 -0.09 0.00 -2.42 0.00 0.00 31.31 28.68 1kx7 n TRP 31 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1kx7 n GLU 32 N -2.34 -0.40 0.00 -0.99 1.02 0.10 -0.37 120.64 117.65 1kx7 n GLU 32 Ca -0.15 1.44 0.05 0.00 -0.02 0.00 0.00 57.16 58.48 1kx7 n GLU 32 Cb 0.80 -2.12 0.29 0.00 -0.02 0.00 0.00 31.44 30.39 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 -5.09 0.40 -0.04 3.49 -0.04 -1.26 -1.38 135.00 131.07 1kx7 n PRO 33 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1kx7 n PRO 33 Cb 0.24 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.88 0.20 0.28 0.54 3.00 -0.05 -4.61 116.66 115.14 1kx7 n ARG 34 Ca 0.07 0.07 0.19 0.00 -0.01 0.00 0.00 57.85 58.17 1kx7 n ARG 34 Cb 0.03 -0.91 0.93 0.00 0.00 0.00 0.00 32.46 32.51 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 -0.24 0.00 -0.43 0.55 6.46 -0.51 -1.84 115.31 119.31 1kx7 h LEU 35 Ca -0.22 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.37 1kx7 h LEU 35 Cb 1.23 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1kx7 h LEU 35 CO -0.11 0.00 -0.78 0.00 -0.62 0.00 0.00 178.44 176.93 1kx7 h ALA 36 N 2.02 0.67 0.07 1.25 0.00 -1.45 -3.26 119.26 118.56 1kx7 h ALA 36 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1kx7 h ALA 36 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kx7 h ALA 36 CO 0.00 0.91 -0.03 0.87 0.00 0.00 0.00 179.25 181.00 1kx7 h LYS 37 N 0.06 -0.09 0.00 0.00 1.79 -1.62 -3.51 116.57 113.21 1kx7 h LYS 37 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1kx7 h LYS 37 Cb 1.38 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1kx7 h LYS 37 CO 0.11 0.28 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 1kx7 n GLY 38 N 1.37 0.07 3.20 3.86 0.00 -0.79 -5.07 105.19 107.83 1kx7 n GLY 38 Ca -0.05 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1kx7 n GLY 38 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kx7 s VAL 39 N 0.00 0.16 0.00 1.61 -7.23 -1.26 -4.36 120.40 109.32 1kx7 s VAL 39 Ca 0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1kx7 s VAL 39 Cb 0.00 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1kx7 s VAL 39 CO 0.00 -0.18 0.00 -0.67 -0.31 0.00 0.00 175.10 173.94 1kx7 n ASP 40 N -0.24 0.00 0.25 4.85 -0.08 -1.26 -4.77 116.55 115.30 1kx7 n ASP 40 Ca -0.01 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.44 1kx7 n ASP 40 Cb 0.65 0.00 0.89 0.00 2.34 0.00 0.00 41.12 45.00 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1kx7 h ASN 41 N 0.00 0.00 0.00 1.67 2.35 -1.89 -1.22 115.58 116.50 1kx7 h ASN 41 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1kx7 h ASN 41 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1kx7 h ASN 41 CO 0.00 0.00 -2.00 0.18 -1.65 0.00 0.00 177.43 173.96 1kx7 n LEU 42 N -3.64 1.16 -0.14 1.61 7.99 -1.26 -4.13 117.00 118.59 1kx7 n LEU 42 Ca 0.00 -0.04 0.10 0.00 -0.01 0.00 0.00 56.01 56.06 1kx7 n LEU 42 Cb 0.26 -0.04 0.43 0.00 -0.11 0.00 0.00 43.42 43.97 1kx7 n LEU 42 CO 0.25 0.53 1.20 1.62 -1.51 0.00 0.00 177.39 179.49 1kx7 h VAL 43 N 0.00 0.94 -0.75 4.08 3.04 -1.77 0.14 116.25 121.92 1kx7 h VAL 43 Ca -0.40 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1kx7 h VAL 43 Cb 1.78 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 31.33 1kx7 h VAL 43 CO -0.01 0.11 0.48 0.07 -1.01 0.00 0.00 177.57 177.20 1kx7 h LYS 44 N 0.58 0.93 -0.60 4.17 2.10 -1.43 -1.65 116.57 120.66 1kx7 h LYS 44 Ca 0.31 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.81 1kx7 h LYS 44 Cb 0.46 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 1kx7 h LYS 44 CO -0.10 0.61 0.02 0.77 -2.00 0.00 0.00 179.45 178.75 1kx7 h SER 45 N 0.95 1.02 -0.04 7.07 0.02 -0.98 -0.81 113.55 120.78 1kx7 h SER 45 Ca 0.29 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1kx7 h SER 45 Cb -0.03 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 1kx7 h SER 45 CO -0.09 1.06 -0.13 0.58 -1.14 0.00 0.00 176.83 177.11 1kx7 h VAL 46 N 0.96 0.67 -0.31 2.27 2.07 -0.81 -0.39 116.25 120.70 1kx7 h VAL 46 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1kx7 h VAL 46 Cb 0.53 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1kx7 h VAL 46 CO 0.03 0.00 0.04 0.07 0.02 0.00 0.00 177.57 177.73 1kx7 h LYS 47 N -0.20 0.47 0.00 1.57 2.10 -1.15 0.14 116.57 119.49 1kx7 h LYS 47 Ca 0.06 -0.08 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1kx7 h LYS 47 Cb 0.27 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1kx7 h LYS 47 CO -0.15 0.46 -0.27 1.15 -2.00 0.00 0.00 179.45 178.64 1kx7 h THR 48 N 0.46 0.62 -3.18 0.07 2.02 -0.47 -2.88 112.91 109.55 1kx7 h THR 48 Ca 0.11 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1kx7 h THR 48 Cb 0.23 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1kx7 h THR 48 CO 0.00 0.26 -0.10 0.61 0.37 0.00 0.00 175.52 176.66 1kx7 n GLY 49 N 0.25 -3.00 3.18 2.16 0.00 -0.22 -4.70 105.19 102.85 1kx7 n GLY 49 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 0.08 0.00 0.15 0.99 7.94 -1.14 -4.82 117.00 120.21 1kx7 n LEU 50 Ca -0.01 -1.02 -0.14 0.00 -1.11 0.00 0.00 56.01 53.74 1kx7 n LEU 50 Cb 0.01 -0.93 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1kx7 n LEU 50 CO 0.04 -2.23 0.68 0.78 -1.11 0.00 0.00 177.39 175.55 1kx7 h ASN 51 N -2.81 -0.76 -0.52 1.96 -0.26 -1.97 0.21 115.58 111.43 1kx7 h ASN 51 Ca -0.38 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.41 1kx7 h ASN 51 Cb 1.18 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 38.69 1kx7 h ASN 51 CO 0.24 -0.38 0.04 0.00 -1.06 0.00 0.00 177.43 176.28 1kx7 n ALA 52 N -2.59 3.80 -3.57 -0.83 0.00 -1.26 -4.94 120.51 111.12 1kx7 n ALA 52 Ca -0.08 -1.70 -0.23 0.00 0.00 0.00 0.00 53.44 51.43 1kx7 n ALA 52 Cb 0.30 -1.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.53 1.38 0.72 0.00 1.75 0.06 -5.11 119.30 115.57 1kx7 s MET 53 Ca 0.47 -0.28 -0.13 0.00 -1.25 0.00 0.00 55.69 54.50 1kx7 s MET 53 Cb 0.36 -1.24 0.03 0.00 2.84 0.00 0.00 34.83 36.82 1kx7 s MET 53 CO 0.13 -0.05 1.10 -1.25 -0.65 0.00 0.00 175.02 174.30 1kx7 s PRO 54 N 0.90 2.53 -0.16 4.11 0.04 -1.26 -2.88 135.00 138.28 1kx7 s PRO 54 Ca -0.11 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1kx7 s PRO 54 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1kx7 s PRO 54 CO 0.01 -1.44 1.93 -1.25 0.04 0.00 0.00 177.00 176.29 1kx7 s PRO 55 N -4.55 3.61 0.00 0.56 0.04 -1.26 -0.38 135.00 133.02 1kx7 s PRO 55 Ca 0.64 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1kx7 s PRO 55 Cb -0.18 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1kx7 s PRO 55 CO 0.49 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1kx7 n GLY 56 N 5.08 0.81 4.45 0.56 0.00 0.44 -4.64 105.19 111.89 1kx7 n GLY 56 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.37 1.11 0.64 -0.02 0.00 0.49 -3.43 105.19 101.60 1kx7 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -1.94 1.61 1.56 -1.26 -4.35 117.12 112.74 1kx7 n MET 58 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.12 1kx7 n MET 58 Cb 0.00 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.38 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 -2.59 0.85 -1.26 0.00 -1.04 -1.26 -4.55 114.28 104.43 1kx7 n THR 60 Ca 0.06 0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 62.05 1kx7 n THR 60 Cb 0.54 -1.88 -0.07 0.00 -1.82 0.00 0.00 70.33 67.10 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 -3.54 7.58 -4.84 8.00 2.03 -1.26 -4.90 116.55 119.61 1kx7 n ASP 61 Ca -0.07 -2.59 -0.37 0.00 0.52 0.00 0.00 54.79 52.28 1kx7 n ASP 61 Cb 0.25 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.09 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 -0.97 3.67 0.40 0.00 2.01 -1.26 -4.96 115.64 114.52 1kx7 s THR 63 Ca 0.14 -0.75 0.20 0.00 0.31 0.00 0.00 61.69 61.60 1kx7 s THR 63 Cb -0.12 -2.59 0.40 0.00 0.01 0.00 0.00 72.50 70.20 1kx7 s THR 63 CO 0.04 0.41 1.73 0.44 -0.69 0.00 0.00 174.62 176.54 1kx7 h ASP 64 N 4.57 0.43 -0.28 3.53 3.32 -1.99 0.19 116.42 126.19 1kx7 h ASP 64 Ca -0.48 0.11 0.07 0.00 0.02 0.00 0.00 57.03 56.74 1kx7 h ASP 64 Cb 1.17 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1kx7 h ASP 64 CO 0.54 0.01 -0.22 1.05 -1.72 0.00 0.00 179.24 178.90 1kx7 h GLU 65 N 0.33 -0.20 -0.07 3.56 4.11 -1.98 0.25 114.58 120.58 1kx7 h GLU 65 Ca 0.66 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 60.02 1kx7 h GLU 65 Cb 1.73 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1kx7 h GLU 65 CO -0.36 -0.13 -0.26 -0.44 0.07 0.00 0.00 179.01 177.88 1kx7 h ASP 66 N -0.20 0.36 0.11 3.06 5.19 -1.12 -0.58 116.42 123.23 1kx7 h ASP 66 Ca 0.15 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1kx7 h ASP 66 Cb 0.44 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1kx7 h ASP 66 CO -0.40 0.92 -0.09 1.88 -3.12 0.00 0.00 179.24 178.42 1kx7 h TYR 67 N -0.19 -0.24 -0.25 4.55 0.05 -0.75 0.12 116.97 120.27 1kx7 h TYR 67 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1kx7 h TYR 67 Cb 0.89 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1kx7 h TYR 67 CO 0.13 -0.15 -0.10 0.87 -1.05 0.00 0.00 178.16 177.86 1kx7 h LYS 68 N -0.22 0.51 -0.77 4.88 1.57 -0.59 -0.03 116.57 121.91 1kx7 h LYS 68 Ca -0.00 -0.21 0.21 0.00 -1.87 0.00 0.00 60.65 58.77 1kx7 h LYS 68 Cb 0.20 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1kx7 h LYS 68 CO -0.01 0.75 0.54 0.00 -0.57 0.00 0.00 179.45 180.16 1kx7 h ALA 69 N 0.74 2.56 0.16 3.86 0.00 -0.97 0.28 119.26 125.89 1kx7 h ALA 69 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1kx7 h ALA 69 Cb 0.59 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1kx7 h ALA 69 CO 0.03 -0.78 -1.36 0.00 0.00 0.00 0.00 179.25 177.14 1kx7 h ALA 70 N 1.63 0.05 -0.02 0.00 0.00 0.27 -2.13 119.26 119.07 1kx7 h ALA 70 Ca 0.37 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1kx7 h ALA 70 Cb 1.31 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1kx7 h ALA 70 CO -0.05 0.92 -0.15 0.82 0.00 0.00 0.00 179.25 180.79 1kx7 h ILE 71 N 0.09 1.52 0.00 0.00 2.04 -0.60 -3.28 117.51 117.28 1kx7 h ILE 71 Ca -0.19 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 63.93 1kx7 h ILE 71 Cb 2.04 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 40.72 1kx7 h ILE 71 CO 0.22 0.47 -0.00 1.05 0.00 0.00 0.00 178.15 179.89 1kx7 h GLU 72 N -0.50 0.00 -1.05 2.37 -0.00 -0.57 -2.10 114.58 112.73 1kx7 h GLU 72 Ca -0.01 0.00 0.31 0.00 -0.00 0.00 0.00 59.36 59.65 1kx7 h GLU 72 Cb 0.85 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 29.47 1kx7 h GLU 72 CO 0.03 0.00 0.63 0.35 -0.00 0.00 0.00 179.01 180.03 1kx7 h PHE 73 N 0.00 0.84 0.00 2.06 3.04 -1.44 -3.27 116.94 118.18 1kx7 h PHE 73 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1kx7 h PHE 73 Cb 0.00 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.28 1kx7 h PHE 73 CO 0.00 -0.07 0.00 -1.33 -2.02 0.00 0.00 178.31 174.89 1kx7 n MET 74 N -4.88 0.00 -2.08 1.11 2.81 -0.79 -4.94 117.12 108.35 1kx7 n MET 74 Ca 0.30 0.28 -0.04 0.00 -1.81 0.00 0.00 57.70 56.43 1kx7 n MET 74 Cb 0.96 -0.75 0.06 0.00 -0.71 0.00 0.00 33.22 32.78 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 -2.01 -1.30 -3.58 7.83 2.88 -1.21 -4.96 113.62 111.27 1kx7 n SER 75 Ca 0.00 -2.13 -0.22 0.00 -1.33 0.00 0.00 58.87 55.19 1kx7 n SER 75 Cb 0.00 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.01 -0.84 0.00 -1.46 2.85 -1.20 -4.71 118.16 111.80 1kx7 n LYS 76 Ca -0.21 0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1kx7 n LYS 76 Cb 0.81 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 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 -0.69 0.58 0.00 -1.26 -4.65 120.51 111.96 1kx7 n ALA 77 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1kx7 n ALA 77 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86