#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 -0.85 -1.52 0.00 -1.08 -1.26 -5.06 116.67 106.90 1kx7 s ASP -2 Ca 0.00 1.29 -0.10 0.00 -0.52 0.00 0.00 52.55 53.22 1kx7 s ASP -2 Cb 0.00 1.58 -0.08 0.00 -1.46 0.00 0.00 42.92 42.96 1kx7 s ASP -2 CO 0.00 -0.20 2.79 -0.11 0.52 0.00 0.00 175.17 178.18 1kx7 n LEU -1 N 4.49 8.11 -0.02 -1.34 -0.00 -1.26 -3.90 117.00 123.08 1kx7 n LEU -1 Ca -0.17 -4.15 0.00 0.00 -0.00 0.00 0.00 56.01 51.69 1kx7 n LEU -1 Cb 0.56 -1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 42.41 1kx7 n LEU -1 CO -0.02 1.80 -0.69 0.00 -0.00 0.00 0.00 177.39 178.48 1kx7 n GLN 1 N 3.90 1.49 -3.58 1.96 6.02 -1.26 -4.99 117.38 120.93 1kx7 n GLN 1 Ca 0.72 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 57.55 1kx7 n GLN 1 Cb 0.23 -1.21 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 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 -3.52 0.31 0.47 1.08 -1.08 -1.25 -5.02 116.67 107.65 1kx7 s ASP 2 Ca -0.04 0.52 0.25 0.00 -0.52 0.00 0.00 52.55 52.76 1kx7 s ASP 2 Cb 0.04 0.91 1.28 0.00 -1.46 0.00 0.00 42.92 43.69 1kx7 s ASP 2 CO 0.35 -0.26 1.84 0.00 0.52 0.00 0.00 175.17 177.62 1kx7 h ALA 3 N 8.24 2.54 -0.19 3.66 0.00 -1.90 0.31 119.26 131.92 1kx7 h ALA 3 Ca -0.16 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1kx7 h ALA 3 Cb 1.13 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1kx7 h ALA 3 CO 0.18 -0.86 -0.09 1.49 0.00 0.00 0.00 179.25 179.97 1kx7 h GLU 4 N 0.22 -0.06 -0.19 0.00 4.81 -1.93 -0.35 114.58 117.08 1kx7 h GLU 4 Ca 0.50 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1kx7 h GLU 4 Cb 1.58 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1kx7 h GLU 4 CO -0.13 -0.04 -0.38 0.00 -0.73 0.00 0.00 179.01 177.73 1kx7 h ALA 5 N 1.10 1.00 0.14 2.92 0.00 -0.87 0.97 119.26 124.53 1kx7 h ALA 5 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1kx7 h ALA 5 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kx7 h ALA 5 CO -0.23 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.38 1kx7 h ILE 6 N 0.35 1.00 -0.46 0.00 1.08 -0.72 0.96 117.51 119.72 1kx7 h ILE 6 Ca 0.04 -0.59 -0.13 0.00 -0.39 0.00 0.00 64.86 63.79 1kx7 h ILE 6 Cb 0.82 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1kx7 h ILE 6 CO 0.07 0.14 -0.22 0.10 -0.69 0.00 0.00 178.15 177.54 1kx7 h TYR 7 N -0.46 1.10 0.00 1.37 -0.00 -0.87 0.19 116.97 118.30 1kx7 h TYR 7 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 58.73 58.42 1kx7 h TYR 7 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 36.73 36.84 1kx7 h TYR 7 CO 0.02 1.09 -0.10 -0.97 -0.00 0.00 0.00 178.16 178.20 1kx7 h ASN 8 N 0.80 0.00 0.44 0.10 -1.24 -0.80 0.21 115.58 115.10 1kx7 h ASN 8 Ca 0.10 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.82 1kx7 h ASN 8 Cb 0.80 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 1kx7 h ASN 8 CO 0.07 0.10 -1.77 1.17 -1.29 0.00 0.00 177.43 175.71 1kx7 n LYS 9 N -3.30 0.64 -0.02 6.67 3.00 0.33 -4.67 118.16 120.81 1kx7 n LYS 9 Ca -0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 58.31 58.53 1kx7 n LYS 9 Cb 0.31 -1.76 -0.01 0.00 0.00 0.00 0.00 35.03 33.58 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 -2.56 1.21 -0.52 3.14 0.00 0.64 -4.63 120.51 117.79 1kx7 n ALA 10 Ca -0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1kx7 n ALA 10 Cb 1.04 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 20.51 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 0.34 -0.07 0.00 5.66 -1.15 -4.00 114.28 116.70 1kx7 n THR 12 Ca 0.04 -0.59 -0.14 0.00 -3.05 0.00 0.00 64.05 60.31 1kx7 n THR 12 Cb 0.51 0.92 -0.05 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.17 1.15 -0.04 1.08 0.31 -1.25 -4.45 118.33 114.95 1kx7 n VAL 13 Ca 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 1kx7 n VAL 13 Cb 0.14 -1.87 -0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 -0.78 0.00 -0.24 0.00 3.86 -1.85 0.32 115.15 116.46 1kx7 h HIS 15 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1kx7 h HIS 15 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1kx7 h HIS 15 CO -0.02 0.00 0.05 1.03 0.86 0.00 0.00 177.93 179.84 1kx7 h SER 16 N 0.00 0.38 0.00 2.45 0.87 -1.78 -3.32 113.55 112.15 1kx7 h SER 16 Ca 0.00 -0.25 -0.21 0.00 -1.23 0.00 0.00 61.79 60.10 1kx7 h SER 16 Cb 0.66 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1kx7 h SER 16 CO 0.00 0.53 -1.99 0.23 -0.53 0.00 0.00 176.83 175.07 1kx7 n MET 17 N -4.71 1.19 -0.52 2.24 2.81 -1.20 -4.93 117.12 111.99 1kx7 n MET 17 Ca -0.03 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1kx7 n MET 17 Cb 0.19 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.90 0.60 3.96 3.03 0.00 0.92 -5.10 105.19 110.50 1kx7 n GLY 18 Ca -0.19 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.76 4.84 -1.48 1.61 1.01 0.04 -4.33 120.40 120.32 1kx7 s VAL 19 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1kx7 s VAL 19 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1kx7 s VAL 19 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 175.10 174.68 1kx7 n ALA 20 N -1.73 -0.21 -1.68 5.51 0.00 -1.26 -0.66 120.51 120.48 1kx7 n ALA 20 Ca -0.04 0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1kx7 n ALA 20 Cb 0.57 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 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 0.04 0.44 3.77 0.00 0.00 -1.26 -5.02 105.19 103.16 1kx7 n GLY 21 Ca -0.14 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.23 3.35 0.44 4.61 0.00 0.17 -5.01 121.76 123.09 1kx7 s ALA 22 Ca 0.00 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 1kx7 s ALA 22 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1kx7 s ALA 22 CO 0.00 -0.54 1.20 -1.25 0.00 0.00 0.00 175.76 175.17 1kx7 s PRO 23 N -1.93 3.82 0.36 0.00 0.04 -1.26 -4.64 135.00 131.37 1kx7 s PRO 23 Ca 0.51 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 1kx7 s PRO 23 Cb -0.35 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 1kx7 s PRO 23 CO 0.46 -0.53 1.10 0.15 0.04 0.00 0.00 177.00 178.21 1kx7 s LYS 24 N -2.54 4.31 0.58 4.56 1.02 -1.26 -4.78 119.74 121.63 1kx7 s LYS 24 Ca 0.61 1.70 0.28 0.00 0.02 0.00 0.00 55.97 58.58 1kx7 s LYS 24 Cb -0.31 -2.81 1.65 0.00 -0.52 0.00 0.00 37.83 35.84 1kx7 s LYS 24 CO 0.39 -0.06 2.12 0.66 -0.92 0.00 0.00 175.35 177.54 1kx7 h SER 25 N 3.00 0.00 -3.24 2.83 4.64 -1.92 -3.33 113.55 115.52 1kx7 h SER 25 Ca -0.48 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1kx7 h SER 25 Cb 1.22 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 1kx7 h SER 25 CO 0.64 0.00 -0.76 -1.38 -0.87 0.00 0.00 176.83 174.46 1kx7 s HIS 26 N -4.68 1.39 0.07 4.77 0.00 -1.26 -4.65 115.29 110.94 1kx7 s HIS 26 Ca -0.05 -1.29 -0.09 0.00 -3.00 0.00 0.00 55.06 50.63 1kx7 s HIS 26 Cb 0.16 -1.34 0.00 0.00 -4.00 0.00 0.00 32.58 27.40 1kx7 s HIS 26 CO 0.56 -0.74 0.20 -0.80 -1.00 0.00 0.00 174.74 172.96 1kx7 s ASN 27 N 1.73 0.08 -0.19 7.38 0.01 -1.25 -5.07 114.94 117.63 1kx7 s ASN 27 Ca 0.03 -0.53 0.06 0.00 -0.71 0.00 0.00 52.86 51.72 1kx7 s ASN 27 Cb -0.17 0.32 -0.16 0.00 0.41 0.00 0.00 41.25 41.65 1kx7 s ASN 27 CO -0.16 -0.67 -0.09 1.07 -1.51 0.00 0.00 177.10 175.75 1kx7 n THR 28 N 0.22 1.14 0.28 1.60 5.66 -1.26 -4.38 114.28 117.54 1kx7 n THR 28 Ca -0.17 -0.54 0.13 0.00 -3.05 0.00 0.00 64.05 60.42 1kx7 n THR 28 Cb 0.61 -0.97 0.25 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.31 1.00 0.00 1.79 0.00 -1.99 0.27 119.26 120.64 1kx7 h ALA 29 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1kx7 h ALA 29 Cb 1.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1kx7 h ALA 29 CO -0.03 0.00 -1.19 0.22 0.00 0.00 0.00 179.25 178.25 1kx7 h ASP 30 N 0.00 0.00 0.09 0.00 1.82 -1.97 -3.37 116.42 112.99 1kx7 h ASP 30 Ca 0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.28 1kx7 h ASP 30 Cb 0.91 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.86 1kx7 h ASP 30 CO 0.00 0.30 -2.27 0.79 -1.61 0.00 0.00 179.24 176.45 1kx7 n TRP 31 N -2.80 0.24 -0.23 0.28 7.02 -1.09 -4.51 117.44 116.35 1kx7 n TRP 31 Ca -0.05 0.08 -0.10 0.00 -1.02 0.00 0.00 57.50 56.41 1kx7 n TRP 31 Cb 0.70 -1.04 -0.06 0.00 -2.42 0.00 0.00 31.31 28.48 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 0.00 -0.22 0.00 -0.99 5.08 -0.62 0.16 114.58 117.99 1kx7 h GLU 32 Ca -0.50 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1kx7 h GLU 32 Cb 2.13 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.43 1kx7 h GLU 32 CO 0.02 -0.15 0.00 -0.35 -1.00 0.00 0.00 179.01 177.53 1kx7 n PRO 33 N -5.37 0.62 -0.06 2.33 -0.04 -1.26 -2.69 135.00 128.53 1kx7 n PRO 33 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1kx7 n PRO 33 Cb 0.33 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.66 0.29 0.00 0.54 5.12 -0.05 -4.48 116.66 117.43 1kx7 n ARG 34 Ca 0.05 0.08 0.04 0.00 -1.93 0.00 0.00 57.85 56.09 1kx7 n ARG 34 Cb 0.02 -1.17 0.23 0.00 -1.16 0.00 0.00 32.46 30.38 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1kx7 n LEU 35 N -3.03 0.00 -1.55 0.55 4.32 0.36 -2.49 117.00 115.16 1kx7 n LEU 35 Ca -0.22 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 55.86 1kx7 n LEU 35 Cb 0.71 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.86 1kx7 n LEU 35 CO 0.09 0.00 0.80 0.00 -1.22 0.00 0.00 177.39 177.07 1kx7 n ALA 36 N -0.89 3.05 0.06 -1.18 0.00 -1.14 -4.46 120.51 115.95 1kx7 n ALA 36 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1kx7 n ALA 36 Cb 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1kx7 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kx7 n LYS 37 N 1.13 0.00 0.00 0.00 4.76 -1.04 -5.12 118.16 117.90 1kx7 n LYS 37 Ca 0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1kx7 n LYS 37 Cb 0.86 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kx7 n GLY 38 N 2.96 -0.41 2.05 0.72 0.00 -1.24 -5.07 105.19 104.19 1kx7 n GLY 38 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1kx7 n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kx7 n VAL 39 N 0.00 0.00 0.46 1.61 0.24 -1.26 -4.54 118.33 114.84 1kx7 n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1kx7 n VAL 39 Cb 0.00 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kx7 n ASP 40 N -3.07 1.06 -0.12 -1.34 9.92 -1.26 -2.49 116.55 119.25 1kx7 n ASP 40 Ca 0.00 -0.91 -0.25 0.00 -0.53 0.00 0.00 54.79 53.10 1kx7 n ASP 40 Cb 0.00 -0.23 -0.09 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.60 1.73 0.10 -2.24 3.02 -1.26 -4.41 115.26 112.81 1kx7 n ASN 41 Ca 0.00 0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 54.65 1kx7 n ASN 41 Cb 0.19 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 38.54 1kx7 n ASN 41 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1kx7 h LEU 42 N -0.79 0.43 -2.54 3.41 4.07 -1.74 -2.73 115.31 115.42 1kx7 h LEU 42 Ca -0.60 -0.46 0.01 0.00 0.08 0.00 0.00 57.88 56.90 1kx7 h LEU 42 Cb 1.55 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 43.15 1kx7 h LEU 42 CO -0.35 1.36 0.05 1.62 -1.08 0.00 0.00 178.44 180.05 1kx7 h VAL 43 N 0.08 0.36 0.10 1.22 3.04 -1.82 0.18 116.25 119.39 1kx7 h VAL 43 Ca -0.14 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.39 1kx7 h VAL 43 Cb 1.98 0.95 0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1kx7 h VAL 43 CO 0.20 0.00 -0.70 0.11 -1.01 0.00 0.00 177.57 176.17 1kx7 h LYS 44 N 0.00 0.30 -0.64 4.17 1.79 -1.71 -2.95 116.57 117.53 1kx7 h LYS 44 Ca 0.02 -0.46 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 1kx7 h LYS 44 Cb 0.13 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1kx7 h LYS 44 CO -0.00 1.19 0.26 0.77 -1.08 0.00 0.00 179.45 180.58 1kx7 h SER 45 N -0.35 0.88 -0.13 0.86 0.02 -0.95 -0.19 113.55 113.70 1kx7 h SER 45 Ca -0.11 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1kx7 h SER 45 Cb 1.51 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1kx7 h SER 45 CO 0.13 0.81 0.04 1.62 -1.14 0.00 0.00 176.83 178.29 1kx7 h VAL 46 N 0.90 1.19 -0.32 2.27 3.04 -0.84 0.41 116.25 122.90 1kx7 h VAL 46 Ca 0.21 -0.59 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 1kx7 h VAL 46 Cb 0.21 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 30.80 1kx7 h VAL 46 CO -0.02 0.18 0.03 0.07 -1.01 0.00 0.00 177.57 176.81 1kx7 h LYS 47 N 0.02 0.48 0.00 4.17 5.09 -1.38 -1.70 116.57 123.24 1kx7 h LYS 47 Ca 0.04 -0.09 -0.13 0.00 0.09 0.00 0.00 60.65 60.57 1kx7 h LYS 47 Cb 0.24 -0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 1kx7 h LYS 47 CO -0.00 0.48 -0.60 1.15 -2.09 0.00 0.00 179.45 178.39 1kx7 h THR 48 N 0.46 1.33 -0.65 0.07 2.02 -0.58 0.78 112.91 116.34 1kx7 h THR 48 Ca 0.10 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1kx7 h THR 48 Cb 0.26 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1kx7 h THR 48 CO 0.00 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.09 1kx7 n GLY 49 N 0.40 -1.70 0.00 2.16 0.00 0.14 -4.26 105.19 101.92 1kx7 n GLY 49 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.03 0.99 7.94 -1.21 -4.84 117.00 119.84 1kx7 n LEU 50 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1kx7 n LEU 50 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kx7 n LEU 50 CO 0.00 0.00 -0.04 0.78 -1.11 0.00 0.00 177.39 177.02 1kx7 h ASN 51 N 0.00 0.00 0.66 1.96 2.35 -1.98 -3.35 115.58 115.22 1kx7 h ASN 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kx7 h ASN 51 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1kx7 h ASN 51 CO 0.00 0.33 0.00 0.00 -1.65 0.00 0.00 177.43 176.11 1kx7 n ALA 52 N -2.59 2.20 -2.72 -0.83 0.00 -1.26 -4.81 120.51 110.50 1kx7 n ALA 52 Ca -0.01 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1kx7 n ALA 52 Cb 0.03 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.79 3.93 0.67 0.00 -1.94 -1.26 -5.10 119.30 112.82 1kx7 s MET 53 Ca 0.18 0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 54.09 1kx7 s MET 53 Cb 0.17 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.70 1kx7 s MET 53 CO 0.42 0.51 1.08 -1.25 -0.01 0.00 0.00 175.02 175.77 1kx7 s PRO 54 N -0.35 2.84 -0.51 2.03 0.04 -1.26 -3.35 135.00 134.44 1kx7 s PRO 54 Ca 0.17 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.14 1kx7 s PRO 54 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1kx7 s PRO 54 CO 0.05 -1.19 2.07 -1.25 0.04 0.00 0.00 177.00 176.72 1kx7 s PRO 55 N -4.47 2.55 0.00 0.56 0.04 -1.26 -0.62 135.00 131.80 1kx7 s PRO 55 Ca 0.63 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1kx7 s PRO 55 Cb -0.17 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1kx7 s PRO 55 CO 0.46 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.13 1kx7 n GLY 56 N 5.78 0.97 4.88 0.56 0.00 0.27 -4.83 105.19 112.82 1kx7 n GLY 56 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.13 1.12 0.00 -0.02 0.00 0.21 -2.95 105.19 103.42 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 -1.87 1.61 1.56 -1.26 -4.41 117.12 112.75 1kx7 n MET 58 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 1kx7 n MET 58 Cb 0.00 0.00 0.18 0.00 2.15 0.00 0.00 33.22 35.55 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 -3.81 0.69 -1.14 0.00 5.66 -1.26 -4.66 114.28 109.75 1kx7 n THR 60 Ca 0.15 0.23 -0.23 0.00 -3.05 0.00 0.00 64.05 61.14 1kx7 n THR 60 Cb 0.60 -1.11 -0.11 0.00 -1.55 0.00 0.00 70.33 68.15 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1kx7 n ASP 61 N -3.43 6.68 -4.42 1.09 2.03 -1.26 -4.87 116.55 112.36 1kx7 n ASP 61 Ca 0.00 -2.54 -0.34 0.00 0.52 0.00 0.00 54.79 52.43 1kx7 n ASP 61 Cb 0.00 -1.47 -0.13 0.00 -0.72 0.00 0.00 41.12 38.80 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 0.85 3.27 0.24 0.00 2.01 -1.26 -4.91 115.64 115.84 1kx7 s THR 63 Ca -0.01 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1kx7 s THR 63 Cb -0.15 -2.33 0.32 0.00 0.01 0.00 0.00 72.50 70.36 1kx7 s THR 63 CO 0.02 0.57 1.20 0.47 -0.69 0.00 0.00 174.62 176.19 1kx7 n ASP 64 N 2.63 -0.07 -0.11 3.53 8.00 -1.26 -0.32 116.55 128.96 1kx7 n ASP 64 Ca -0.18 1.30 -0.03 0.00 0.71 0.00 0.00 54.79 56.60 1kx7 n ASP 64 Cb 0.52 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kx7 n GLU 65 N -5.05 -0.11 -0.01 -1.24 -0.58 -1.26 -0.72 120.64 111.67 1kx7 n GLU 65 Ca 0.19 0.58 -0.14 0.00 -0.42 0.00 0.00 57.16 57.36 1kx7 n GLU 65 Cb 0.61 -0.85 -0.14 0.00 -0.57 0.00 0.00 31.44 30.49 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 -3.65 1.40 -0.26 1.62 9.92 0.57 -3.55 116.55 122.60 1kx7 n ASP 66 Ca 0.01 0.33 0.06 0.00 -0.53 0.00 0.00 54.79 54.66 1kx7 n ASP 66 Cb 0.07 -0.40 0.19 0.00 -0.64 0.00 0.00 41.12 40.33 1kx7 n ASP 66 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1kx7 h TYR 67 N 0.03 0.45 -0.06 1.24 5.03 -0.51 0.34 116.97 123.49 1kx7 h TYR 67 Ca -0.34 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 60.97 1kx7 h TYR 67 Cb 2.02 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 40.22 1kx7 h TYR 67 CO 0.03 0.01 -0.10 0.87 -1.32 0.00 0.00 178.16 177.66 1kx7 h LYS 68 N 0.39 0.16 -1.08 1.82 1.57 -1.11 -2.92 116.57 115.41 1kx7 h LYS 68 Ca 0.42 -0.10 0.31 0.00 -1.87 0.00 0.00 60.65 59.41 1kx7 h LYS 68 Cb 0.68 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1kx7 h LYS 68 CO -0.44 0.68 0.77 0.00 -0.57 0.00 0.00 179.45 179.88 1kx7 h ALA 69 N 0.49 2.95 0.03 3.86 0.00 -1.32 0.16 119.26 125.43 1kx7 h ALA 69 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1kx7 h ALA 69 Cb 0.67 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kx7 h ALA 69 CO 0.02 -1.27 -0.99 0.00 0.00 0.00 0.00 179.25 177.02 1kx7 h ALA 70 N 1.48 0.36 0.07 0.00 0.00 -0.25 -0.24 119.26 120.68 1kx7 h ALA 70 Ca 0.52 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1kx7 h ALA 70 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1kx7 h ALA 70 CO -0.03 0.90 -0.04 0.82 0.00 0.00 0.00 179.25 180.90 1kx7 h ILE 71 N 0.15 1.14 0.00 0.00 5.03 -0.89 -3.32 117.51 119.61 1kx7 h ILE 71 Ca -0.08 -1.47 -0.03 0.00 -0.12 0.00 0.00 64.86 63.16 1kx7 h ILE 71 Cb 1.64 2.00 -0.00 0.00 -3.03 0.00 0.00 36.82 37.42 1kx7 h ILE 71 CO 0.16 0.33 -0.14 1.05 -0.68 0.00 0.00 178.15 178.87 1kx7 h GLU 72 N -0.85 0.00 -0.98 2.37 -0.00 -0.86 -2.54 114.58 111.73 1kx7 h GLU 72 Ca -0.01 0.00 0.24 0.00 -0.00 0.00 0.00 59.36 59.59 1kx7 h GLU 72 Cb 0.61 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 29.18 1kx7 h GLU 72 CO 0.02 0.14 -0.09 0.35 -0.00 0.00 0.00 179.01 179.42 1kx7 h PHE 73 N 0.00 -0.26 -0.01 2.06 3.04 -1.13 -1.68 116.94 118.96 1kx7 h PHE 73 Ca -0.00 0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1kx7 h PHE 73 Cb 0.35 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1kx7 h PHE 73 CO 0.00 -0.43 -0.06 0.52 -2.02 0.00 0.00 178.31 176.32 1kx7 h MET 74 N 0.01 0.05 0.00 1.11 2.86 -1.64 -3.49 114.93 113.83 1kx7 h MET 74 Ca 0.54 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1kx7 h MET 74 Cb 1.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1kx7 h MET 74 CO -0.96 0.77 0.00 0.45 1.06 0.00 0.00 176.91 178.23 1kx7 n SER 75 N -4.68 0.00 0.00 1.22 2.88 -0.63 -4.85 113.62 107.56 1kx7 n SER 75 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1kx7 n SER 75 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.01 0.00 0.00 -1.46 2.85 -1.26 -4.60 118.16 113.68 1kx7 n LYS 76 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1kx7 n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.00 0.00 1.84 0.58 0.00 -1.26 -4.75 120.51 116.92 1kx7 n ALA 77 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1kx7 n ALA 77 Cb 0.00 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.32 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86