#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 -1.26 -1.06 0.00 -4.77 -1.26 -5.06 116.67 103.26 1kx7 s ASP -2 Ca 0.00 -1.03 -0.20 0.00 -3.30 0.00 0.00 52.55 48.02 1kx7 s ASP -2 Cb 0.00 1.64 -0.08 0.00 -1.09 0.00 0.00 42.92 43.39 1kx7 s ASP -2 CO 0.00 -0.10 1.98 -0.11 0.70 0.00 0.00 175.17 177.65 1kx7 n LEU -1 N 3.63 4.69 -0.00 2.11 7.94 -1.26 -4.37 117.00 129.73 1kx7 n LEU -1 Ca 0.13 -3.34 0.03 0.00 -1.11 0.00 0.00 56.01 51.72 1kx7 n LEU -1 Cb 0.58 -1.41 -0.05 0.00 0.53 0.00 0.00 43.42 43.08 1kx7 n LEU -1 CO -0.03 -0.19 -0.56 0.00 -1.11 0.00 0.00 177.39 175.51 1kx7 n GLN 1 N 7.12 0.35 -3.75 1.96 6.02 -1.26 -5.08 117.38 122.73 1kx7 n GLN 1 Ca 0.49 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.36 1kx7 n GLN 1 Cb 0.42 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 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 -2.68 -0.30 -0.12 1.08 -1.08 -1.26 -5.07 116.67 107.24 1kx7 s ASP 2 Ca -0.02 -0.44 -0.28 0.00 -0.52 0.00 0.00 52.55 51.29 1kx7 s ASP 2 Cb 0.04 0.64 -0.26 0.00 -1.46 0.00 0.00 42.92 41.87 1kx7 s ASP 2 CO 0.26 -1.16 0.82 0.00 0.52 0.00 0.00 175.17 175.62 1kx7 h ALA 3 N 2.00 -0.01 -0.46 3.66 0.00 -1.90 -3.16 119.26 119.39 1kx7 h ALA 3 Ca -0.23 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1kx7 h ALA 3 Cb 1.25 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1kx7 h ALA 3 CO 0.26 0.05 0.26 1.49 0.00 0.00 0.00 179.25 181.31 1kx7 h GLU 4 N -0.86 0.50 -0.27 0.00 4.81 -1.91 -1.36 114.58 115.50 1kx7 h GLU 4 Ca -0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1kx7 h GLU 4 Cb 1.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1kx7 h GLU 4 CO 0.03 0.33 -0.18 0.00 -0.73 0.00 0.00 179.01 178.45 1kx7 h ALA 5 N 1.22 1.19 0.04 2.92 0.00 -1.94 0.93 119.26 123.63 1kx7 h ALA 5 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kx7 h ALA 5 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kx7 h ALA 5 CO -0.11 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 180.46 1kx7 h ILE 6 N 0.43 1.19 -0.52 0.00 1.08 -1.38 0.19 117.51 118.50 1kx7 h ILE 6 Ca 0.07 -0.73 -0.11 0.00 -0.39 0.00 0.00 64.86 63.70 1kx7 h ILE 6 Cb 0.57 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1kx7 h ILE 6 CO 0.04 0.19 -0.12 0.10 -0.69 0.00 0.00 178.15 177.67 1kx7 h TYR 7 N -0.37 1.09 0.00 1.37 -0.00 -0.96 0.32 116.97 118.41 1kx7 h TYR 7 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 58.73 58.48 1kx7 h TYR 7 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 36.80 1kx7 h TYR 7 CO 0.03 1.02 -0.11 -0.97 -0.00 0.00 0.00 178.16 178.13 1kx7 h ASN 8 N 0.87 0.00 0.40 0.10 -1.24 -0.75 0.10 115.58 115.06 1kx7 h ASN 8 Ca 0.14 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.86 1kx7 h ASN 8 Cb 0.67 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.67 1kx7 h ASN 8 CO 0.05 0.11 -1.82 1.17 -1.29 0.00 0.00 177.43 175.65 1kx7 n LYS 9 N -3.31 0.64 -0.00 6.67 3.00 0.67 -4.70 118.16 121.13 1kx7 n LYS 9 Ca -0.00 0.21 -0.02 0.00 -0.00 0.00 0.00 58.31 58.50 1kx7 n LYS 9 Cb 0.33 -1.73 -0.01 0.00 0.00 0.00 0.00 35.03 33.62 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 2.02 -0.48 3.14 0.00 0.08 -4.69 120.51 118.01 1kx7 n ALA 10 Ca -0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 1kx7 n ALA 10 Cb 1.03 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.54 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 1.80 0.00 -0.11 0.00 5.66 -1.17 -4.14 114.28 116.33 1kx7 n THR 12 Ca 0.07 -0.33 -0.21 0.00 -3.05 0.00 0.00 64.05 60.52 1kx7 n THR 12 Cb 0.47 1.25 -0.07 0.00 -1.55 0.00 0.00 70.33 70.43 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 1.35 -0.03 1.08 0.31 -1.25 -4.41 118.33 115.22 1kx7 n VAL 13 Ca 0.00 -0.21 -0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1kx7 n VAL 13 Cb 0.06 -1.93 -0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 n HIS 15 N -3.42 0.55 -0.01 0.00 -0.00 -1.26 0.22 115.22 111.30 1kx7 n HIS 15 Ca -0.00 0.20 -0.16 0.00 -0.00 0.00 0.00 57.72 57.75 1kx7 n HIS 15 Cb 0.02 -0.82 -0.05 0.00 -0.00 0.00 0.00 29.99 29.14 1kx7 n HIS 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1kx7 h SER 16 N 0.00 0.85 0.00 0.41 0.87 -1.77 -2.30 113.55 111.61 1kx7 h SER 16 Ca 0.00 -0.56 -0.04 0.00 -1.23 0.00 0.00 61.79 59.96 1kx7 h SER 16 Cb 0.44 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1kx7 h SER 16 CO 0.00 1.35 -1.15 0.80 -0.53 0.00 0.00 176.83 177.30 1kx7 n MET 17 N -3.91 2.10 -0.66 2.24 1.56 -1.15 -4.86 117.12 112.43 1kx7 n MET 17 Ca -0.07 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 1kx7 n MET 17 Cb 0.74 -1.06 0.00 0.00 2.15 0.00 0.00 33.22 35.06 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 3.08 0.59 0.13 -5.12 0.00 0.13 -5.01 105.19 99.00 1kx7 n GLY 18 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 1kx7 n GLY 18 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kx7 h VAL 19 N 0.00 0.62 -0.15 1.61 2.07 -1.83 -3.28 116.25 115.30 1kx7 h VAL 19 Ca 0.00 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1kx7 h VAL 19 Cb 0.35 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1kx7 h VAL 19 CO 0.00 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1kx7 n ALA 20 N -2.65 3.47 -1.57 1.67 0.00 -1.26 -4.67 120.51 115.50 1kx7 n ALA 20 Ca -0.06 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 1kx7 n ALA 20 Cb 0.22 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 0.59 1.34 3.77 0.00 0.00 -1.23 -4.97 105.19 104.69 1kx7 n GLY 21 Ca 0.09 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.61 3.46 0.38 4.61 0.00 -1.26 -4.99 121.76 121.35 1kx7 s ALA 22 Ca 0.00 1.30 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1kx7 s ALA 22 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1kx7 s ALA 22 CO 0.00 -0.75 1.15 -1.25 0.00 0.00 0.00 175.76 174.91 1kx7 s PRO 23 N -1.94 4.19 0.45 0.00 0.04 -1.26 -4.43 135.00 132.05 1kx7 s PRO 23 Ca 0.51 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.13 1kx7 s PRO 23 Cb -0.40 -2.77 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1kx7 s PRO 23 CO 0.54 -0.20 1.23 0.15 0.04 0.00 0.00 177.00 178.77 1kx7 s LYS 24 N -2.15 3.74 0.36 4.56 1.02 -1.26 -4.65 119.74 121.36 1kx7 s LYS 24 Ca 0.55 1.96 0.19 0.00 0.02 0.00 0.00 55.97 58.69 1kx7 s LYS 24 Cb -0.30 -2.50 1.29 0.00 -0.52 0.00 0.00 37.83 35.79 1kx7 s LYS 24 CO 0.38 -0.62 1.60 0.66 -0.92 0.00 0.00 175.35 176.45 1kx7 h SER 25 N 2.18 0.35 -3.29 2.83 4.64 -1.74 -3.36 113.55 115.15 1kx7 h SER 25 Ca -0.50 0.25 -0.46 0.00 -0.47 0.00 0.00 61.79 60.61 1kx7 h SER 25 Cb 1.25 0.24 -0.36 0.00 -0.31 0.00 0.00 62.40 63.22 1kx7 h SER 25 CO 0.61 -0.37 -0.78 -1.38 -0.87 0.00 0.00 176.83 174.03 1kx7 s HIS 26 N -5.56 0.98 0.26 4.77 -3.43 -1.26 -4.73 115.29 106.32 1kx7 s HIS 26 Ca -0.09 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 53.65 1kx7 s HIS 26 Cb 0.33 -0.91 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1kx7 s HIS 26 CO 0.78 -0.35 0.57 -0.80 -2.00 0.00 0.00 174.74 172.94 1kx7 s ASN 27 N 1.57 -0.12 -0.12 7.38 0.01 -1.26 -5.09 114.94 117.31 1kx7 s ASN 27 Ca 0.00 -0.84 0.02 0.00 -0.71 0.00 0.00 52.86 51.33 1kx7 s ASN 27 Cb -0.13 0.64 -0.09 0.00 0.41 0.00 0.00 41.25 42.09 1kx7 s ASN 27 CO -0.04 -1.23 -0.08 0.41 -1.51 0.00 0.00 177.10 174.65 1kx7 n THR 28 N -0.42 0.69 0.21 1.60 -1.04 -1.26 -4.51 114.28 109.55 1kx7 n THR 28 Ca -0.03 -0.29 0.12 0.00 -2.04 0.00 0.00 64.05 61.81 1kx7 n THR 28 Cb 0.61 -0.89 0.13 0.00 -1.82 0.00 0.00 70.33 68.36 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 0.09 0.86 0.11 2.41 0.00 -1.99 0.68 119.26 121.43 1kx7 h ALA 29 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 1kx7 h ALA 29 Cb 1.46 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1kx7 h ALA 29 CO -0.03 0.00 -1.20 0.22 0.00 0.00 0.00 179.25 178.24 1kx7 h ASP 30 N 0.00 0.48 0.24 0.00 1.82 -1.98 -3.37 116.42 113.61 1kx7 h ASP 30 Ca 0.00 -0.48 -0.34 0.00 -0.39 0.00 0.00 57.03 55.81 1kx7 h ASP 30 Cb 0.99 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 1kx7 h ASP 30 CO 0.00 1.35 -1.84 -0.50 -1.61 0.00 0.00 179.24 176.64 1kx7 h TRP 31 N 0.11 0.45 -1.00 0.28 4.06 -1.77 -3.40 115.95 114.69 1kx7 h TRP 31 Ca -0.13 -0.33 0.09 0.00 2.06 0.00 0.00 58.89 60.58 1kx7 h TRP 31 Cb 1.90 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 29.92 1kx7 h TRP 31 CO 0.07 1.59 -0.59 0.93 -3.56 0.00 0.00 178.44 176.88 1kx7 h GLU 32 N 0.07 -0.00 -0.70 0.49 5.08 -1.01 0.03 114.58 118.53 1kx7 h GLU 32 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1kx7 h GLU 32 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1kx7 h GLU 32 CO 0.12 -0.00 0.00 -0.35 -1.00 0.00 0.00 179.01 177.78 1kx7 n PRO 33 N -5.25 0.48 0.00 2.33 -0.04 -1.26 -2.29 135.00 128.97 1kx7 n PRO 33 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1kx7 n PRO 33 Cb 0.26 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.37 0.00 0.00 0.54 3.00 -0.12 -4.73 116.66 115.72 1kx7 n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1kx7 n ARG 34 Cb 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 32.46 32.12 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1kx7 n LEU 35 N -2.67 0.00 0.08 0.55 4.77 -0.53 -1.44 117.00 117.76 1kx7 n LEU 35 Ca 0.00 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1kx7 n LEU 35 Cb 0.35 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1kx7 n LEU 35 CO 0.00 -0.20 0.17 0.00 -1.33 0.00 0.00 177.39 176.03 1kx7 h ALA 36 N 1.48 0.41 0.00 -1.18 0.00 -1.73 -3.35 119.26 114.90 1kx7 h ALA 36 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 54.01 1kx7 h ALA 36 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kx7 h ALA 36 CO 0.00 1.08 -0.81 1.63 0.00 0.00 0.00 179.25 181.15 1kx7 n LYS 37 N -3.49 0.49 0.00 0.00 5.02 -0.52 -5.12 118.16 114.54 1kx7 n LYS 37 Ca -0.02 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1kx7 n LYS 37 Cb 0.89 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.54 0.03 3.55 0.72 0.00 -0.95 -5.09 105.19 105.00 1kx7 n GLY 38 Ca -0.16 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 0.92 0.00 1.61 -7.23 -1.26 -4.23 120.40 110.21 1kx7 s VAL 39 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1kx7 s VAL 39 Cb 0.00 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1kx7 s VAL 39 CO 0.00 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.12 1kx7 n ASP 40 N -1.13 0.00 0.33 4.85 -0.08 -1.26 -4.69 116.55 114.57 1kx7 n ASP 40 Ca -0.08 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.38 1kx7 n ASP 40 Cb 0.66 0.00 0.91 0.00 2.34 0.00 0.00 41.12 45.03 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 -1.93 -0.51 115.58 117.16 1kx7 h ASN 41 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1kx7 h ASN 41 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1kx7 h ASN 41 CO 0.00 0.00 -2.22 0.18 -1.65 0.00 0.00 177.43 173.74 1kx7 n LEU 42 N -2.96 2.89 -0.33 1.61 7.99 -1.26 -4.05 117.00 120.88 1kx7 n LEU 42 Ca -0.02 -0.09 0.26 0.00 -0.01 0.00 0.00 56.01 56.15 1kx7 n LEU 42 Cb 0.31 -0.75 0.55 0.00 -0.11 0.00 0.00 43.42 43.43 1kx7 n LEU 42 CO 0.15 0.84 1.23 1.62 -1.51 0.00 0.00 177.39 179.72 1kx7 h VAL 43 N -0.05 0.47 -0.38 4.08 3.04 -1.51 0.25 116.25 122.15 1kx7 h VAL 43 Ca -0.49 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.03 1kx7 h VAL 43 Cb 1.73 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1kx7 h VAL 43 CO -0.09 0.06 -0.04 0.07 -1.01 0.00 0.00 177.57 176.55 1kx7 h LYS 44 N 0.31 0.69 -0.09 4.17 2.10 -1.35 -1.94 116.57 120.47 1kx7 h LYS 44 Ca 0.61 -0.24 -0.16 0.00 -2.00 0.00 0.00 60.65 58.86 1kx7 h LYS 44 Cb 1.70 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.97 1kx7 h LYS 44 CO -0.27 0.82 -0.64 0.77 -2.00 0.00 0.00 179.45 178.13 1kx7 h SER 45 N 0.50 0.40 -0.14 7.07 0.02 -0.82 -2.59 113.55 117.99 1kx7 h SER 45 Ca 0.10 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1kx7 h SER 45 Cb 0.53 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1kx7 h SER 45 CO 0.03 0.93 -0.06 1.62 -1.14 0.00 0.00 176.83 178.21 1kx7 h VAL 46 N 0.25 1.31 -0.85 2.27 3.04 -0.77 -1.45 116.25 120.05 1kx7 h VAL 46 Ca -0.01 -1.06 0.08 0.00 -1.01 0.00 0.00 66.70 64.70 1kx7 h VAL 46 Cb 1.17 1.71 -0.07 0.00 -2.01 0.00 0.00 31.29 32.10 1kx7 h VAL 46 CO 0.11 0.31 0.51 0.07 -1.01 0.00 0.00 177.57 177.55 1kx7 h LYS 47 N -0.04 0.86 -0.10 4.17 5.09 -1.27 -1.35 116.57 123.93 1kx7 h LYS 47 Ca 0.03 -0.05 -0.18 0.00 0.09 0.00 0.00 60.65 60.55 1kx7 h LYS 47 Cb 0.51 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 1kx7 h LYS 47 CO 0.02 0.57 -0.68 1.79 -2.09 0.00 0.00 179.45 179.05 1kx7 h THR 48 N 0.88 1.37 -1.57 0.07 1.35 -1.48 -1.88 112.91 111.66 1kx7 h THR 48 Ca 0.39 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1kx7 h THR 48 Cb 0.28 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1kx7 h THR 48 CO -0.21 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1kx7 n GLY 49 N 0.47 -1.65 3.55 5.82 0.00 -0.55 -4.57 105.19 108.27 1kx7 n GLY 49 Ca -0.04 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 0.97 0.10 0.99 0.20 -1.24 -4.85 118.68 114.85 1kx7 s LEU 50 Ca 0.00 1.31 -0.34 0.00 0.69 0.00 0.00 54.13 55.79 1kx7 s LEU 50 Cb 0.00 -3.28 -0.15 0.00 -0.43 0.00 0.00 46.19 42.33 1kx7 s LEU 50 CO 0.00 -3.89 1.54 0.78 -0.29 0.00 0.00 176.35 174.49 1kx7 h ASN 51 N -2.41 -1.51 -0.05 3.68 2.35 -1.98 0.17 115.58 115.84 1kx7 h ASN 51 Ca -0.59 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1kx7 h ASN 51 Cb 1.34 0.54 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1kx7 h ASN 51 CO 0.53 -0.57 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 1kx7 n ALA 52 N -2.89 2.56 -3.39 -0.83 0.00 -1.26 -4.86 120.51 109.84 1kx7 n ALA 52 Ca -0.09 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 1kx7 n ALA 52 Cb 0.41 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.46 2.22 0.79 0.00 0.00 0.61 -5.05 119.30 116.40 1kx7 s MET 53 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 55.69 55.01 1kx7 s MET 53 Cb 0.03 -1.75 0.07 0.00 0.00 0.00 0.00 34.83 33.17 1kx7 s MET 53 CO 0.02 0.08 1.17 -1.25 0.00 0.00 0.00 175.02 175.03 1kx7 s PRO 54 N 0.57 1.84 0.34 4.11 0.04 -1.26 -3.70 135.00 136.94 1kx7 s PRO 54 Ca -0.16 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 1kx7 s PRO 54 Cb -0.17 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1kx7 s PRO 54 CO 0.05 -2.03 1.40 -0.35 0.04 0.00 0.00 177.00 176.11 1kx7 n PRO 55 N -3.28 2.37 -1.86 0.56 -0.04 -1.26 -0.81 135.00 130.69 1kx7 n PRO 55 Ca 0.12 0.83 -0.21 0.00 -0.04 0.00 0.00 63.50 64.21 1kx7 n PRO 55 Cb 0.51 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 1kx7 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kx7 n GLY 56 N 0.85 1.18 3.64 0.55 0.00 -0.58 -1.69 105.19 109.15 1kx7 n GLY 56 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.62 -0.48 1.69 -0.02 0.00 0.01 -0.39 105.19 105.38 1kx7 n GLY 57 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.04 0.00 -2.70 1.61 1.56 -0.68 -4.24 117.12 108.62 1kx7 n MET 58 Ca 0.02 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.02 1kx7 n MET 58 Cb 0.53 -0.12 0.01 0.00 2.15 0.00 0.00 33.22 35.78 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 h THR 60 N 3.53 0.14 0.00 0.00 2.02 -1.76 -1.53 112.91 115.31 1kx7 h THR 60 Ca 0.29 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.38 1kx7 h THR 60 Cb 0.61 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1kx7 h THR 60 CO 1.46 0.00 -0.40 -0.78 0.37 0.00 0.00 175.52 176.17 1kx7 h ASP 61 N 0.00 0.00 -3.96 4.18 3.58 -1.94 -3.47 116.42 114.80 1kx7 h ASP 61 Ca 0.06 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.01 1kx7 h ASP 61 Cb 0.73 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.84 1kx7 h ASP 61 CO -0.00 0.40 0.49 0.00 -2.88 0.00 0.00 179.24 177.25 1kx7 n THR 63 N -0.11 0.00 0.00 0.00 -1.04 -1.26 -4.99 114.28 106.88 1kx7 n THR 63 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1kx7 n THR 63 Cb 0.47 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1kx7 n THR 63 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 64 N 0.00 -0.01 0.14 8.00 8.00 -1.26 -4.79 116.55 126.63 1kx7 n ASP 64 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1kx7 n ASP 64 Cb 0.00 0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kx7 h GLU 65 N 0.00 -0.67 0.00 -1.24 5.08 -1.99 0.24 114.58 116.00 1kx7 h GLU 65 Ca 0.00 0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1kx7 h GLU 65 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1kx7 h GLU 65 CO 0.00 -0.45 -0.61 -0.44 -1.00 0.00 0.00 179.01 176.51 1kx7 h ASP 66 N -0.70 0.00 0.29 1.42 3.32 -1.93 -2.56 116.42 116.26 1kx7 h ASP 66 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1kx7 h ASP 66 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1kx7 h ASP 66 CO -0.22 0.61 -0.14 0.22 -1.72 0.00 0.00 179.24 177.99 1kx7 h TYR 67 N 0.00 -0.36 -0.02 4.55 5.03 -1.78 0.16 116.97 124.55 1kx7 h TYR 67 Ca -0.01 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1kx7 h TYR 67 Cb 1.18 0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 1kx7 h TYR 67 CO 0.00 -0.06 0.01 1.57 -1.32 0.00 0.00 178.16 178.36 1kx7 h LYS 68 N -0.65 0.03 -0.85 1.82 2.10 -0.59 -1.90 116.57 116.52 1kx7 h LYS 68 Ca -0.04 -0.01 0.18 0.00 -2.00 0.00 0.00 60.65 58.79 1kx7 h LYS 68 Cb 0.46 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.72 1kx7 h LYS 68 CO 0.06 0.16 0.57 0.00 -2.00 0.00 0.00 179.45 178.24 1kx7 h ALA 69 N 0.88 2.14 -0.01 0.07 0.00 -1.41 0.27 119.26 121.19 1kx7 h ALA 69 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kx7 h ALA 69 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kx7 h ALA 69 CO -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 179.25 178.86 1kx7 h ALA 70 N 1.62 0.02 -0.48 0.00 0.00 0.11 0.30 119.26 120.83 1kx7 h ALA 70 Ca 0.44 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1kx7 h ALA 70 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1kx7 h ALA 70 CO -0.16 -0.39 -0.14 0.82 0.00 0.00 0.00 179.25 179.37 1kx7 h ILE 71 N -0.15 1.27 -0.79 0.00 2.04 -0.85 -2.79 117.51 116.23 1kx7 h ILE 71 Ca 0.00 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.63 1kx7 h ILE 71 Cb 0.18 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1kx7 h ILE 71 CO -0.00 0.45 0.52 -0.33 0.00 0.00 0.00 178.15 178.79 1kx7 h GLU 72 N 0.80 0.86 -0.67 2.37 5.08 -0.43 -2.40 114.58 120.19 1kx7 h GLU 72 Ca 0.12 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1kx7 h GLU 72 Cb 0.71 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1kx7 h GLU 72 CO 0.05 0.57 0.31 0.35 -1.00 0.00 0.00 179.01 179.29 1kx7 h PHE 73 N 0.89 0.54 0.00 4.33 3.04 -0.11 -3.20 116.94 122.43 1kx7 h PHE 73 Ca 0.34 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.32 1kx7 h PHE 73 Cb 0.19 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1kx7 h PHE 73 CO -0.00 0.18 0.00 -1.33 -2.02 0.00 0.00 178.31 175.13 1kx7 n MET 74 N -4.92 0.00 -2.25 1.11 2.81 -1.04 -4.87 117.12 107.96 1kx7 n MET 74 Ca 0.10 0.30 -0.03 0.00 -1.81 0.00 0.00 57.70 56.26 1kx7 n MET 74 Cb 0.28 -1.07 0.08 0.00 -0.71 0.00 0.00 33.22 31.80 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 -1.39 -1.30 -4.09 7.83 2.88 -1.15 -4.98 113.62 111.42 1kx7 n SER 75 Ca 0.00 -2.10 -0.37 0.00 -1.33 0.00 0.00 58.87 55.07 1kx7 n SER 75 Cb 0.00 0.57 -0.02 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 -1.15 -1.00 0.00 -1.46 2.85 -0.93 -4.76 118.16 111.70 1kx7 n LYS 76 Ca -0.19 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1kx7 n LYS 76 Cb 0.82 -3.33 0.00 0.00 -0.65 0.00 0.00 35.03 31.87 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 -4.72 0.07 0.90 0.58 0.00 -1.26 -4.56 120.51 111.53 1kx7 n ALA 77 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.34 1kx7 n ALA 77 Cb 0.63 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.17 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86