#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 -0.75 -0.19 0.00 -1.08 -1.26 -5.07 116.67 108.31 1kx7 s ASP -2 Ca 0.00 1.30 -0.05 0.00 -0.52 0.00 0.00 52.55 53.28 1kx7 s ASP -2 Cb 0.00 1.31 -0.17 0.00 -1.46 0.00 0.00 42.92 42.61 1kx7 s ASP -2 CO 0.00 -0.21 2.61 0.00 0.52 0.00 0.00 175.17 178.09 1kx7 n LEU -1 N 3.44 4.05 0.01 -1.34 -0.00 -1.26 -4.45 117.00 117.45 1kx7 n LEU -1 Ca -0.17 -2.52 0.11 0.00 -0.00 0.00 0.00 56.01 53.43 1kx7 n LEU -1 Cb 0.57 -1.03 -0.13 0.00 -0.00 0.00 0.00 43.42 42.84 1kx7 n LEU -1 CO 0.01 1.03 -0.54 1.67 -0.00 0.00 0.00 177.39 179.56 1kx7 n GLN 1 N 2.89 0.56 -2.58 1.47 -0.06 -1.26 -4.96 117.38 113.44 1kx7 n GLN 1 Ca 0.34 -0.13 -0.05 0.00 -2.00 0.00 0.00 57.00 55.16 1kx7 n GLN 1 Cb 0.55 -1.56 -0.02 0.00 -4.06 0.00 0.00 30.24 25.15 1kx7 n GLN 1 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1kx7 n ASP 2 N -2.21 0.05 -0.05 1.69 -0.08 -1.26 -5.09 116.55 109.60 1kx7 n ASP 2 Ca -0.02 -1.56 -0.22 0.00 -1.51 0.00 0.00 54.79 51.48 1kx7 n ASP 2 Cb 0.53 0.39 -0.13 0.00 2.34 0.00 0.00 41.12 44.26 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 h ALA 3 N 1.25 0.32 -0.24 -1.67 0.00 -1.87 -3.25 119.26 113.80 1kx7 h ALA 3 Ca -0.06 -1.26 0.05 0.00 0.00 0.00 0.00 54.91 53.63 1kx7 h ALA 3 Cb 0.31 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1kx7 h ALA 3 CO 0.09 0.94 -0.07 1.49 0.00 0.00 0.00 179.25 181.71 1kx7 h GLU 4 N -0.53 -0.01 -0.06 0.00 4.81 -1.94 -0.21 114.58 116.64 1kx7 h GLU 4 Ca -0.37 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.75 1kx7 h GLU 4 Cb 1.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1kx7 h GLU 4 CO -0.07 -0.01 -0.48 0.00 -0.73 0.00 0.00 179.01 177.73 1kx7 h ALA 5 N 1.23 1.10 0.14 2.92 0.00 -1.90 0.78 119.26 123.53 1kx7 h ALA 5 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kx7 h ALA 5 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1kx7 h ALA 5 CO -0.25 0.62 -0.07 0.97 0.00 0.00 0.00 179.25 180.52 1kx7 h ILE 6 N 0.11 1.01 -0.35 0.00 2.10 -1.42 -0.27 117.51 118.69 1kx7 h ILE 6 Ca 0.00 -0.70 -0.13 0.00 1.08 0.00 0.00 64.86 65.12 1kx7 h ILE 6 Cb 0.89 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 1kx7 h ILE 6 CO 0.07 0.16 -0.30 0.10 -1.08 0.00 0.00 178.15 177.10 1kx7 h TYR 7 N -0.52 0.97 0.00 2.19 -0.00 -0.86 0.26 116.97 119.00 1kx7 h TYR 7 Ca -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 58.73 58.39 1kx7 h TYR 7 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 36.93 1kx7 h TYR 7 CO 0.03 1.06 -0.18 -0.97 -0.00 0.00 0.00 178.16 178.10 1kx7 h ASN 8 N 0.60 0.00 0.67 0.10 -1.24 -0.89 0.99 115.58 115.80 1kx7 h ASN 8 Ca 0.06 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.81 1kx7 h ASN 8 Cb 0.88 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.89 1kx7 h ASN 8 CO 0.08 0.18 -1.45 0.50 -1.29 0.00 0.00 177.43 175.45 1kx7 h LYS 9 N 0.00 0.02 0.00 6.67 3.64 -0.79 -3.43 116.57 122.67 1kx7 h LYS 9 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1kx7 h LYS 9 Cb 0.60 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1kx7 h LYS 9 CO 0.02 0.72 -0.02 0.00 -2.27 0.00 0.00 179.45 177.91 1kx7 n ALA 10 N -2.49 1.87 0.51 5.00 0.00 0.89 -4.69 120.51 121.61 1kx7 n ALA 10 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1kx7 n ALA 10 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 0.83 0.87 -0.06 0.00 5.66 -1.07 -3.40 114.28 117.11 1kx7 n THR 12 Ca 0.00 -0.94 -0.11 0.00 -3.05 0.00 0.00 64.05 59.96 1kx7 n THR 12 Cb 0.36 0.59 -0.05 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.46 0.65 -0.04 1.08 0.31 -1.26 -4.56 118.33 114.97 1kx7 n VAL 13 Ca 0.10 -0.20 -0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1kx7 n VAL 13 Cb 0.39 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.01 0.00 -0.00 -1.82 0.39 115.15 113.16 1kx7 h HIS 15 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1kx7 h HIS 15 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 1kx7 h HIS 15 CO -0.15 0.37 -0.22 0.77 -0.00 0.00 0.00 177.93 178.70 1kx7 h SER 16 N 0.00 -0.64 0.00 2.45 0.02 -1.80 -2.97 113.55 110.62 1kx7 h SER 16 Ca -0.00 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1kx7 h SER 16 Cb 0.94 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1kx7 h SER 16 CO 0.05 -0.29 -1.76 0.80 -1.14 0.00 0.00 176.83 174.49 1kx7 n MET 17 N -5.34 0.59 -0.92 3.45 0.00 -1.21 -4.70 117.12 108.99 1kx7 n MET 17 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1kx7 n MET 17 Cb 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.10 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kx7 n GLY 18 N 1.65 0.62 3.96 -5.12 0.00 0.12 -5.01 105.19 101.40 1kx7 n GLY 18 Ca -0.05 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.18 4.49 -1.42 1.61 1.01 0.14 -4.36 120.40 119.70 1kx7 s VAL 19 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1kx7 s VAL 19 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1kx7 s VAL 19 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 175.10 174.71 1kx7 n ALA 20 N -1.87 -0.20 -1.42 5.51 0.00 -1.26 -0.74 120.51 120.52 1kx7 n ALA 20 Ca -0.02 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1kx7 n ALA 20 Cb 0.57 -1.86 -0.03 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 0.11 0.79 3.73 0.00 0.00 -1.26 -4.99 105.19 103.57 1kx7 n GLY 21 Ca -0.13 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.31 2.05 0.85 4.61 0.00 0.08 -5.02 121.76 122.02 1kx7 s ALA 22 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1kx7 s ALA 22 Cb 0.00 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.83 1kx7 s ALA 22 CO 0.00 -1.96 1.10 -1.25 0.00 0.00 0.00 175.76 173.64 1kx7 s PRO 23 N -4.35 1.67 -0.05 0.00 0.04 -1.26 -4.67 135.00 126.37 1kx7 s PRO 23 Ca 0.68 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1kx7 s PRO 23 Cb -0.23 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1kx7 s PRO 23 CO 0.50 -1.92 1.11 0.21 0.04 0.00 0.00 177.00 176.94 1kx7 s LYS 24 N -5.07 4.41 0.24 4.56 2.47 -1.26 -4.65 119.74 120.44 1kx7 s LYS 24 Ca 0.62 1.56 0.09 0.00 -1.56 0.00 0.00 55.97 56.68 1kx7 s LYS 24 Cb -0.16 -3.52 0.78 0.00 -1.46 0.00 0.00 37.83 33.47 1kx7 s LYS 24 CO 0.55 -0.33 1.10 0.45 0.16 0.00 0.00 175.35 177.28 1kx7 n SER 25 N 4.83 0.11 -3.84 1.43 2.88 -1.12 -3.37 113.62 114.55 1kx7 n SER 25 Ca 0.09 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.66 1kx7 n SER 25 Cb 0.48 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.27 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1kx7 s HIS 26 N -5.29 0.19 0.21 0.66 -3.43 -1.26 -4.84 115.29 101.54 1kx7 s HIS 26 Ca -0.07 0.02 -0.10 0.00 -0.80 0.00 0.00 55.06 54.11 1kx7 s HIS 26 Cb 0.23 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 1kx7 s HIS 26 CO 0.55 -0.07 0.36 1.21 -2.00 0.00 0.00 174.74 174.78 1kx7 s ASN 27 N 0.65 -0.02 -0.18 7.38 3.84 -1.22 -5.08 114.94 120.32 1kx7 s ASN 27 Ca -0.06 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.08 1kx7 s ASN 27 Cb -0.09 0.51 -0.15 0.00 -0.55 0.00 0.00 41.25 40.97 1kx7 s ASN 27 CO -0.01 -1.01 -0.10 1.07 -2.79 0.00 0.00 177.10 174.25 1kx7 n THR 28 N -0.31 1.11 0.17 -5.21 5.66 -1.26 -4.43 114.28 110.01 1kx7 n THR 28 Ca -0.03 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.52 1kx7 n THR 28 Cb 0.63 -1.01 0.09 0.00 -1.55 0.00 0.00 70.33 68.49 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 0.24 0.79 0.10 1.79 0.00 -1.99 0.29 119.26 120.48 1kx7 h ALA 29 Ca -0.44 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 53.88 1kx7 h ALA 29 Cb 1.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1kx7 h ALA 29 CO -0.04 0.42 -1.39 0.22 0.00 0.00 0.00 179.25 178.47 1kx7 h ASP 30 N 0.00 0.34 0.48 0.00 3.58 -1.97 -3.36 116.42 115.48 1kx7 h ASP 30 Ca -0.00 -0.43 -0.30 0.00 0.42 0.00 0.00 57.03 56.72 1kx7 h ASP 30 Cb 1.24 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 1kx7 h ASP 30 CO 0.04 1.35 -1.57 -0.50 -2.88 0.00 0.00 179.24 175.68 1kx7 h TRP 31 N 0.06 0.32 -0.68 0.28 4.06 -1.74 -3.39 115.95 114.85 1kx7 h TRP 31 Ca -0.18 -0.23 0.09 0.00 2.06 0.00 0.00 58.89 60.63 1kx7 h TRP 31 Cb 1.98 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 30.01 1kx7 h TRP 31 CO 0.05 1.31 -0.47 0.93 -3.56 0.00 0.00 178.44 176.70 1kx7 h GLU 32 N 0.05 -0.17 0.00 0.49 5.08 -0.58 0.27 114.58 119.71 1kx7 h GLU 32 Ca -0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1kx7 h GLU 32 Cb 1.99 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1kx7 h GLU 32 CO 0.13 -0.12 0.00 -0.35 -1.00 0.00 0.00 179.01 177.68 1kx7 n PRO 33 N -5.38 0.11 -0.12 2.33 -0.04 -1.26 -2.61 135.00 128.03 1kx7 n PRO 33 Ca 0.02 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 1kx7 n PRO 33 Cb 0.34 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.28 0.52 0.00 0.54 5.12 -0.10 -4.27 116.66 117.18 1kx7 n ARG 34 Ca 0.04 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1kx7 n ARG 34 Cb 0.06 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 -3.78 0.00 0.00 0.55 4.77 -0.13 -2.06 117.00 116.35 1kx7 n LEU 35 Ca -0.44 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 1kx7 n LEU 35 Cb 0.86 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.64 1kx7 n LEU 35 CO 0.08 -0.16 -0.52 0.00 -1.33 0.00 0.00 177.39 175.46 1kx7 h ALA 36 N 1.51 0.59 0.03 -1.18 0.00 -1.68 -3.36 119.26 115.17 1kx7 h ALA 36 Ca 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 54.91 53.55 1kx7 h ALA 36 Cb 0.11 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1kx7 h ALA 36 CO 0.00 1.43 -0.02 0.87 0.00 0.00 0.00 179.25 181.54 1kx7 h LYS 37 N 0.03 -0.04 0.00 0.00 6.56 -1.65 -3.51 116.57 117.95 1kx7 h LYS 37 Ca -0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1kx7 h LYS 37 Cb 2.00 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.67 1kx7 h LYS 37 CO 0.10 0.49 0.00 0.41 -2.06 0.00 0.00 179.45 178.39 1kx7 n GLY 38 N 1.46 -0.58 2.00 3.86 0.00 -1.18 -5.07 105.19 105.69 1kx7 n GLY 38 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.93 1.61 0.31 -1.26 -4.09 118.33 115.83 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 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 -3.19 0.06 0.05 4.52 8.00 -1.26 -2.28 116.55 122.46 1kx7 n ASP 40 Ca 0.00 -0.99 0.08 0.00 0.71 0.00 0.00 54.79 54.59 1kx7 n ASP 40 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kx7 n ASN 41 N -0.41 0.63 -0.07 -2.24 3.02 -1.26 -3.79 115.26 111.13 1kx7 n ASN 41 Ca 0.00 0.25 -0.08 0.00 -0.03 0.00 0.00 54.58 54.72 1kx7 n ASN 41 Cb 0.01 0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.63 0.65 0.31 3.41 4.32 -0.96 -4.07 117.00 118.01 1kx7 n LEU 42 Ca -0.04 -0.02 0.17 0.00 -0.02 0.00 0.00 56.01 56.10 1kx7 n LEU 42 Cb 0.64 0.13 0.99 0.00 -1.62 0.00 0.00 43.42 43.57 1kx7 n LEU 42 CO 0.42 0.44 1.14 1.62 -1.22 0.00 0.00 177.39 179.79 1kx7 h VAL 43 N 0.00 0.38 -0.08 4.08 3.04 -1.76 0.30 116.25 122.22 1kx7 h VAL 43 Ca -0.38 -0.03 -0.12 0.00 -1.01 0.00 0.00 66.70 65.16 1kx7 h VAL 43 Cb 1.80 1.02 0.01 0.00 -2.01 0.00 0.00 31.29 32.10 1kx7 h VAL 43 CO 0.00 0.01 -0.42 0.07 -1.01 0.00 0.00 177.57 176.22 1kx7 h LYS 44 N 0.00 0.43 0.00 4.17 5.09 -1.75 -3.23 116.57 121.28 1kx7 h LYS 44 Ca -0.00 -0.35 -0.07 0.00 0.09 0.00 0.00 60.65 60.32 1kx7 h LYS 44 Cb 0.02 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 1kx7 h LYS 44 CO 0.00 0.99 -0.31 0.77 -2.09 0.00 0.00 179.45 178.81 1kx7 h SER 45 N -0.02 0.00 -0.41 7.07 0.02 -1.03 -2.52 113.55 116.66 1kx7 h SER 45 Ca -0.03 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 1kx7 h SER 45 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1kx7 h SER 45 CO 0.09 0.31 -0.28 1.62 -1.14 0.00 0.00 176.83 177.43 1kx7 h VAL 46 N 0.00 1.27 -0.03 2.27 3.04 -0.67 0.90 116.25 123.04 1kx7 h VAL 46 Ca -0.00 -1.44 -0.13 0.00 -1.01 0.00 0.00 66.70 64.12 1kx7 h VAL 46 Cb 1.04 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 1kx7 h VAL 46 CO 0.04 0.49 -0.58 0.07 -1.01 0.00 0.00 177.57 176.57 1kx7 h LYS 47 N 0.74 0.09 0.00 4.17 2.10 -1.52 0.75 116.57 122.90 1kx7 h LYS 47 Ca 0.08 -0.06 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 1kx7 h LYS 47 Cb 0.86 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1kx7 h LYS 47 CO 0.08 0.65 -1.11 0.00 -2.00 0.00 0.00 179.45 177.06 1kx7 h THR 48 N 0.07 0.22 -0.93 0.07 1.03 -1.47 0.17 112.91 112.07 1kx7 h THR 48 Ca -0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 1kx7 h THR 48 Cb 1.05 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 1kx7 h THR 48 CO 0.08 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.33 1kx7 n GLY 49 N 1.26 -2.28 0.00 2.99 0.00 0.28 -4.14 105.19 103.31 1kx7 n GLY 49 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.23 0.99 7.94 -1.02 -4.87 117.00 120.27 1kx7 n LEU 50 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1kx7 n LEU 50 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1kx7 n LEU 50 CO 0.00 -0.03 0.39 0.78 -1.11 0.00 0.00 177.39 177.41 1kx7 h ASN 51 N 0.00 -0.52 -1.39 1.96 4.21 -1.99 -3.29 115.58 114.55 1kx7 h ASN 51 Ca 0.00 0.02 -0.71 0.00 1.21 0.00 0.00 56.30 56.82 1kx7 h ASN 51 Cb 0.00 0.13 -0.29 0.00 -1.12 0.00 0.00 38.32 37.04 1kx7 h ASN 51 CO 0.00 -0.29 0.84 0.00 -1.29 0.00 0.00 177.43 176.69 1kx7 n ALA 52 N -2.43 6.33 -3.39 -0.83 0.00 -1.26 -4.90 120.51 114.03 1kx7 n ALA 52 Ca -0.08 -3.77 -0.13 0.00 0.00 0.00 0.00 53.44 49.47 1kx7 n ALA 52 Cb 0.24 -1.77 -0.14 0.00 0.00 0.00 0.00 19.45 17.78 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 -3.91 0.10 0.63 0.00 -1.94 -1.24 -5.06 119.30 107.88 1kx7 s MET 53 Ca 0.59 0.26 -0.14 0.00 -1.71 0.00 0.00 55.69 54.69 1kx7 s MET 53 Cb 0.48 -0.07 -0.02 0.00 2.01 0.00 0.00 34.83 37.23 1kx7 s MET 53 CO -0.17 -0.09 1.06 -1.25 -0.01 0.00 0.00 175.02 174.55 1kx7 s PRO 54 N 0.64 3.18 -0.04 2.03 0.04 -1.26 -3.88 135.00 135.71 1kx7 s PRO 54 Ca -0.05 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1kx7 s PRO 54 Cb -0.07 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1kx7 s PRO 54 CO -0.03 -0.91 1.66 -1.25 0.04 0.00 0.00 177.00 176.50 1kx7 s PRO 55 N -4.39 4.18 0.00 0.56 0.04 -1.26 -3.06 135.00 131.08 1kx7 s PRO 55 Ca 0.62 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1kx7 s PRO 55 Cb -0.15 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1kx7 s PRO 55 CO 0.43 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1kx7 n GLY 56 N 4.12 1.23 5.14 0.56 0.00 0.61 -4.84 105.19 112.02 1kx7 n GLY 56 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.58 0.25 1.67 -0.02 0.00 0.23 -2.25 105.19 104.48 1kx7 n GLY 57 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.68 1kx7 n GLY 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kx7 n MET 58 N 0.00 0.31 -4.42 1.61 2.81 -1.26 -4.55 117.12 111.61 1kx7 n MET 58 Ca 0.00 -0.30 -0.24 0.00 -1.81 0.00 0.00 57.70 55.35 1kx7 n MET 58 Cb 0.00 0.15 -0.13 0.00 -0.71 0.00 0.00 33.22 32.53 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kx7 h THR 60 N 4.22 1.44 -2.64 0.00 1.03 -2.02 -3.37 112.91 111.57 1kx7 h THR 60 Ca -0.44 -1.33 -0.61 0.00 -0.01 0.00 0.00 66.41 64.02 1kx7 h THR 60 Cb 1.17 2.34 -0.41 0.00 -1.07 0.00 0.00 68.15 70.18 1kx7 h THR 60 CO 0.41 0.34 -0.66 -0.67 -0.01 0.00 0.00 175.52 174.93 1kx7 n ASP 61 N -4.82 2.65 -4.56 0.00 -0.08 -1.26 -5.06 116.55 103.43 1kx7 n ASP 61 Ca -0.09 -3.15 -0.31 0.00 -1.51 0.00 0.00 54.79 49.73 1kx7 n ASP 61 Cb 0.29 -0.70 -0.04 0.00 2.34 0.00 0.00 41.12 43.00 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 s THR 63 N 8.96 4.19 0.33 0.00 -4.23 -1.26 -4.86 115.64 118.77 1kx7 s THR 63 Ca 0.65 1.41 0.02 0.00 -1.18 0.00 0.00 61.69 62.59 1kx7 s THR 63 Cb -0.06 -3.60 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1kx7 s THR 63 CO -0.00 -0.25 1.96 0.44 -0.54 0.00 0.00 174.62 176.23 1kx7 h ASP 64 N 1.95 0.81 -0.62 3.99 3.32 -1.97 0.25 116.42 124.14 1kx7 h ASP 64 Ca -0.49 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 56.67 1kx7 h ASP 64 Cb 1.19 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 1kx7 h ASP 64 CO 0.61 0.56 0.14 1.05 -1.72 0.00 0.00 179.24 179.88 1kx7 h GLU 65 N 0.94 0.26 0.21 3.56 4.11 -2.00 -0.42 114.58 121.25 1kx7 h GLU 65 Ca 0.31 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.38 1kx7 h GLU 65 Cb 0.05 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1kx7 h GLU 65 CO -0.09 0.17 -1.61 -0.44 0.07 0.00 0.00 179.01 177.12 1kx7 h ASP 66 N 0.27 0.70 -0.51 3.06 3.32 -1.82 -3.21 116.42 118.22 1kx7 h ASP 66 Ca 0.33 -0.88 0.06 0.00 0.02 0.00 0.00 57.03 56.56 1kx7 h ASP 66 Cb 0.50 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1kx7 h ASP 66 CO -0.42 1.72 0.21 1.88 -1.72 0.00 0.00 179.24 180.91 1kx7 h TYR 67 N 0.12 0.38 -0.20 4.55 0.05 -0.26 0.24 116.97 121.85 1kx7 h TYR 67 Ca -0.29 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.45 1kx7 h TYR 67 Cb 2.12 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 39.76 1kx7 h TYR 67 CO 0.11 0.15 -0.10 0.87 -1.05 0.00 0.00 178.16 178.14 1kx7 h LYS 68 N 0.41 0.42 -0.98 4.88 1.57 -1.23 0.14 116.57 121.79 1kx7 h LYS 68 Ca 0.24 -0.19 0.17 0.00 -1.87 0.00 0.00 60.65 58.99 1kx7 h LYS 68 Cb 0.21 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 1kx7 h LYS 68 CO -0.21 0.72 0.61 0.00 -0.57 0.00 0.00 179.45 180.00 1kx7 h ALA 69 N 0.69 1.72 0.25 3.86 0.00 -1.47 0.19 119.26 124.50 1kx7 h ALA 69 Ca 0.04 0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 1kx7 h ALA 69 Cb 0.60 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 18.31 1kx7 h ALA 69 CO 0.03 -0.03 -1.47 0.00 0.00 0.00 0.00 179.25 177.78 1kx7 h ALA 70 N 1.60 -0.14 -0.29 0.00 0.00 0.09 0.38 119.26 120.91 1kx7 h ALA 70 Ca 0.53 -0.87 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1kx7 h ALA 70 Cb 0.79 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1kx7 h ALA 70 CO -0.30 0.72 -0.46 0.82 0.00 0.00 0.00 179.25 180.03 1kx7 h ILE 71 N 0.14 1.29 -0.07 0.00 2.04 -0.66 -3.23 117.51 117.03 1kx7 h ILE 71 Ca -0.25 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 63.85 1kx7 h ILE 71 Cb 2.16 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1kx7 h ILE 71 CO 0.27 0.53 -0.46 1.05 0.00 0.00 0.00 178.15 179.55 1kx7 h GLU 72 N 0.60 0.16 -0.93 2.37 -0.00 -0.64 -1.00 114.58 115.15 1kx7 h GLU 72 Ca 0.03 -0.08 0.24 0.00 -0.00 0.00 0.00 59.36 59.55 1kx7 h GLU 72 Cb 1.03 0.00 -0.17 0.00 -0.00 0.00 0.00 28.75 29.61 1kx7 h GLU 72 CO 0.10 0.59 -0.00 0.35 -0.00 0.00 0.00 179.01 180.05 1kx7 h PHE 73 N 0.13 -0.09 0.00 2.06 3.04 -0.93 -3.22 116.94 117.94 1kx7 h PHE 73 Ca 0.01 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1kx7 h PHE 73 Cb 0.87 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1kx7 h PHE 73 CO 0.01 -0.38 0.00 -1.33 -2.02 0.00 0.00 178.31 174.59 1kx7 n MET 74 N -5.46 0.00 -1.64 1.11 2.81 -1.21 -4.93 117.12 107.81 1kx7 n MET 74 Ca 0.20 0.31 -0.05 0.00 -1.81 0.00 0.00 57.70 56.35 1kx7 n MET 74 Cb 0.66 -0.80 0.01 0.00 -0.71 0.00 0.00 33.22 32.37 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 -1.58 -1.17 -4.27 7.83 2.88 -1.20 -4.97 113.62 111.13 1kx7 n SER 75 Ca 0.00 -2.07 -0.33 0.00 -1.33 0.00 0.00 58.87 55.14 1kx7 n SER 75 Cb 0.00 0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.60 -1.68 0.00 -1.46 2.85 -0.38 -4.79 118.16 112.10 1kx7 n LYS 76 Ca -0.24 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1kx7 n LYS 76 Cb 0.77 -4.20 0.00 0.00 -0.65 0.00 0.00 35.03 30.95 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 -4.42 0.33 -0.77 0.58 0.00 -1.25 -4.56 120.51 110.42 1kx7 n ALA 77 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1kx7 n ALA 77 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86