#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 -0.92 -1.27 0.00 -1.08 -1.26 -5.07 116.67 107.07 1kx7 s ASP -2 Ca 0.00 1.38 -0.16 0.00 -0.52 0.00 0.00 52.55 53.25 1kx7 s ASP -2 Cb 0.00 1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 43.12 1kx7 s ASP -2 CO 0.00 -0.21 2.18 -0.11 0.52 0.00 0.00 175.17 177.55 1kx7 n LEU -1 N 4.65 6.16 -0.01 -1.34 -0.00 -1.26 -4.13 117.00 121.08 1kx7 n LEU -1 Ca -0.16 -3.79 0.03 0.00 -0.00 0.00 0.00 56.01 52.09 1kx7 n LEU -1 Cb 0.55 -1.50 -0.07 0.00 -0.00 0.00 0.00 43.42 42.40 1kx7 n LEU -1 CO -0.02 0.74 -0.64 0.00 -0.00 0.00 0.00 177.39 177.47 1kx7 n GLN 1 N 6.20 0.66 -3.68 1.96 3.00 -1.26 -5.01 117.38 119.24 1kx7 n GLN 1 Ca 0.52 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 57.31 1kx7 n GLN 1 Cb 0.38 -1.23 -0.13 0.00 0.00 0.00 0.00 30.24 29.26 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 -3.28 0.14 0.33 1.08 -1.08 -1.26 -5.03 116.67 107.58 1kx7 s ASP 2 Ca -0.04 0.61 0.12 0.00 -0.52 0.00 0.00 52.55 52.72 1kx7 s ASP 2 Cb 0.06 0.67 1.00 0.00 -1.46 0.00 0.00 42.92 43.19 1kx7 s ASP 2 CO 0.40 -0.22 1.67 0.00 0.52 0.00 0.00 175.17 177.53 1kx7 h ALA 3 N 7.98 1.82 -0.19 3.66 0.00 -1.90 0.16 119.26 130.79 1kx7 h ALA 3 Ca -0.21 0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1kx7 h ALA 3 Cb 1.13 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1kx7 h ALA 3 CO 0.20 -0.52 -0.10 1.49 0.00 0.00 0.00 179.25 180.31 1kx7 h GLU 4 N 0.33 -0.08 -0.07 0.00 4.81 -1.91 -0.44 114.58 117.22 1kx7 h GLU 4 Ca 0.70 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.84 1kx7 h GLU 4 Cb 1.53 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1kx7 h GLU 4 CO -0.60 -0.05 -0.39 0.00 -0.73 0.00 0.00 179.01 177.23 1kx7 h ALA 5 N 1.08 1.21 0.14 2.92 0.00 -1.29 0.16 119.26 123.48 1kx7 h ALA 5 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1kx7 h ALA 5 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kx7 h ALA 5 CO -0.25 0.55 -0.07 0.97 0.00 0.00 0.00 179.25 180.45 1kx7 h ILE 6 N 0.13 0.99 -0.32 0.00 -0.00 -0.34 0.49 117.51 118.47 1kx7 h ILE 6 Ca 0.01 -0.60 -0.13 0.00 -0.00 0.00 0.00 64.86 64.15 1kx7 h ILE 6 Cb 0.75 1.35 -0.00 0.00 -0.00 0.00 0.00 36.82 38.92 1kx7 h ILE 6 CO 0.06 0.14 -0.31 0.10 -0.00 0.00 0.00 178.15 178.14 1kx7 h TYR 7 N -0.48 0.92 0.00 2.19 -0.00 -0.84 0.15 116.97 118.90 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 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.91 1kx7 h TYR 7 CO 0.02 1.04 -0.08 -0.97 -0.00 0.00 0.00 178.16 178.17 1kx7 h ASN 8 N 0.53 0.00 0.41 0.10 -1.24 -0.70 0.26 115.58 114.94 1kx7 h ASN 8 Ca 0.05 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.88 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.88 1kx7 h ASN 8 CO 0.08 0.08 -1.81 1.17 -1.29 0.00 0.00 177.43 175.66 1kx7 n LYS 9 N -3.29 0.64 -0.01 6.67 3.00 0.16 -4.71 118.16 120.63 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 0.29 -1.73 -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 1.07 -0.58 3.14 0.00 0.51 -4.64 120.51 117.45 1kx7 n ALA 10 Ca -0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 1kx7 n ALA 10 Cb 1.03 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 20.46 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 1.86 0.00 -0.13 0.00 5.66 -1.17 -3.85 114.28 116.65 1kx7 n THR 12 Ca 0.12 -0.33 -0.26 0.00 -3.05 0.00 0.00 64.05 60.53 1kx7 n THR 12 Cb 0.56 1.17 -0.09 0.00 -1.55 0.00 0.00 70.33 70.42 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 -0.33 1.52 -0.08 1.08 0.31 -1.25 -4.40 118.33 115.18 1kx7 n VAL 13 Ca 0.00 -0.27 -0.07 0.00 -0.01 0.00 0.00 64.34 63.99 1kx7 n VAL 13 Cb 0.04 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 30.97 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 -1.00 0.00 0.00 0.00 3.86 -1.75 0.32 115.15 116.58 1kx7 h HIS 15 Ca -0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1kx7 h HIS 15 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1kx7 h HIS 15 CO -0.23 0.00 -0.00 1.03 0.86 0.00 0.00 177.93 179.59 1kx7 h SER 16 N 0.00 -0.00 0.00 2.45 0.87 -1.77 -3.27 113.55 111.83 1kx7 h SER 16 Ca 0.00 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.14 1kx7 h SER 16 Cb 0.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1kx7 h SER 16 CO 0.00 0.27 -1.81 0.80 -0.53 0.00 0.00 176.83 175.55 1kx7 n MET 17 N -4.96 1.32 -0.37 2.24 1.56 -1.23 -4.79 117.12 110.89 1kx7 n MET 17 Ca -0.08 -0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.30 1kx7 n MET 17 Cb 0.15 -1.34 0.00 0.00 2.15 0.00 0.00 33.22 34.18 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 2.00 0.71 3.93 -5.12 0.00 0.92 -4.93 105.19 102.70 1kx7 n GLY 18 Ca -0.14 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.83 5.15 -1.69 1.61 1.01 -0.05 -4.23 120.40 120.36 1kx7 s VAL 19 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1kx7 s VAL 19 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1kx7 s VAL 19 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 175.10 174.78 1kx7 n ALA 20 N -1.07 -0.51 -0.99 5.51 0.00 -1.26 -0.69 120.51 121.49 1kx7 n ALA 20 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1kx7 n ALA 20 Cb 0.55 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.70 0.59 3.75 0.00 0.00 -1.26 -5.03 105.19 102.54 1kx7 n GLY 21 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.42 2.78 1.12 4.61 0.00 0.13 -5.03 121.76 122.96 1kx7 s ALA 22 Ca 0.00 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1kx7 s ALA 22 Cb 0.00 -3.53 0.25 0.00 0.00 0.00 0.00 23.12 19.84 1kx7 s ALA 22 CO 0.00 -1.27 1.07 -1.25 0.00 0.00 0.00 175.76 174.31 1kx7 s PRO 23 N -2.95 -0.59 -0.05 0.00 0.04 -1.26 -4.32 135.00 125.87 1kx7 s PRO 23 Ca 0.72 0.41 0.05 0.00 0.04 0.00 0.00 61.00 62.22 1kx7 s PRO 23 Cb -0.37 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1kx7 s PRO 23 CO 0.44 -3.39 -0.19 0.15 0.04 0.00 0.00 177.00 174.04 1kx7 s LYS 24 N -4.94 2.00 -0.44 4.56 1.02 -1.26 -4.29 119.74 116.38 1kx7 s LYS 24 Ca 0.68 -0.69 -0.07 0.00 0.02 0.00 0.00 55.97 55.90 1kx7 s LYS 24 Cb -0.18 -1.73 -0.20 0.00 -0.52 0.00 0.00 37.83 35.20 1kx7 s LYS 24 CO 0.59 0.28 3.27 -1.13 -0.92 0.00 0.00 175.35 177.45 1kx7 n SER 25 N 3.08 5.89 0.00 2.83 3.41 -1.23 -3.89 113.62 123.71 1kx7 n SER 25 Ca -0.18 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1kx7 n SER 25 Cb 0.53 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1kx7 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx7 n HIS 26 N 2.86 -0.27 -2.78 7.33 1.44 -1.26 -4.99 115.22 117.55 1kx7 n HIS 26 Ca 0.50 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.85 1kx7 n HIS 26 Cb 0.68 0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.89 1kx7 n HIS 26 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1kx7 s ASN 27 N -2.90 7.18 -0.09 4.39 6.03 -1.25 -5.00 114.94 123.30 1kx7 s ASN 27 Ca 0.00 1.81 0.16 0.00 -1.03 0.00 0.00 52.86 53.79 1kx7 s ASN 27 Cb 0.00 -2.57 -0.23 0.00 -3.03 0.00 0.00 41.25 35.42 1kx7 s ASN 27 CO 0.00 -0.18 0.45 0.41 -2.03 0.00 0.00 177.10 175.74 1kx7 n THR 28 N 0.16 1.40 0.24 0.54 -1.04 -1.26 -4.04 114.28 110.27 1kx7 n THR 28 Ca 0.04 -0.79 0.09 0.00 -2.04 0.00 0.00 64.05 61.35 1kx7 n THR 28 Cb 0.51 -0.73 0.65 0.00 -1.82 0.00 0.00 70.33 68.95 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 1.10 2.04 -0.12 2.41 0.00 -1.99 0.38 119.26 123.08 1kx7 h ALA 29 Ca -0.36 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1kx7 h ALA 29 Cb 2.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1kx7 h ALA 29 CO 0.05 -0.07 -0.56 0.22 0.00 0.00 0.00 179.25 178.90 1kx7 h ASP 30 N 0.00 0.40 0.45 0.00 3.58 -1.94 -3.34 116.42 115.57 1kx7 h ASP 30 Ca 0.03 -0.22 -0.30 0.00 0.42 0.00 0.00 57.03 56.96 1kx7 h ASP 30 Cb 0.10 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 1kx7 h ASP 30 CO -0.00 0.88 -1.73 0.79 -2.88 0.00 0.00 179.24 176.29 1kx7 n TRP 31 N -3.92 1.05 -0.13 0.28 7.02 0.43 -4.42 117.44 117.75 1kx7 n TRP 31 Ca -0.03 0.36 -0.10 0.00 -1.02 0.00 0.00 57.50 56.71 1kx7 n TRP 31 Cb 0.60 -1.19 -0.04 0.00 -2.42 0.00 0.00 31.31 28.26 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 0.01 -0.30 0.00 -0.99 5.08 -0.52 -0.92 114.58 116.93 1kx7 h GLU 32 Ca -0.30 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1kx7 h GLU 32 Cb 2.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1kx7 h GLU 32 CO 0.08 -0.20 0.00 -0.35 -1.00 0.00 0.00 179.01 177.54 1kx7 n PRO 33 N -5.41 0.37 -0.11 2.33 -0.04 -1.26 -1.88 135.00 128.99 1kx7 n PRO 33 Ca -0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1kx7 n PRO 33 Cb 0.35 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.00 0.59 0.00 0.54 5.12 -0.40 -4.26 116.66 117.25 1kx7 n ARG 34 Ca 0.09 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1kx7 n ARG 34 Cb 0.04 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 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 -4.29 0.50 -0.05 0.55 4.77 -0.79 -2.84 117.00 114.85 1kx7 n LEU 35 Ca -0.40 -0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.15 1kx7 n LEU 35 Cb 0.78 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 1kx7 n LEU 35 CO 0.15 0.10 -0.96 0.00 -1.33 0.00 0.00 177.39 175.35 1kx7 n ALA 36 N 0.48 1.18 -0.03 -1.18 0.00 -1.14 -4.46 120.51 115.36 1kx7 n ALA 36 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 53.44 52.41 1kx7 n ALA 36 Cb 0.10 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1kx7 n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kx7 h LYS 37 N 0.04 0.16 0.00 0.00 1.79 -1.81 -3.52 116.57 113.23 1kx7 h LYS 37 Ca -0.46 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 57.74 1kx7 h LYS 37 Cb 2.01 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.76 1kx7 h LYS 37 CO 0.03 1.13 0.00 0.41 -1.08 0.00 0.00 179.45 179.94 1kx7 n GLY 38 N 1.65 -0.11 1.21 3.86 0.00 -1.24 -5.01 105.19 105.55 1kx7 n GLY 38 Ca -0.24 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 3.22 0.46 0.13 1.61 0.31 -1.26 -4.20 118.33 118.60 1kx7 n VAL 39 Ca 0.00 0.15 0.08 0.00 -0.01 0.00 0.00 64.34 64.56 1kx7 n VAL 39 Cb 0.00 -1.34 0.45 0.00 -0.91 0.00 0.00 33.84 32.03 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 -3.18 0.43 0.16 4.52 9.92 -1.26 -1.28 116.55 125.86 1kx7 n ASP 40 Ca 0.00 0.68 0.13 0.00 -0.53 0.00 0.00 54.79 55.08 1kx7 n ASP 40 Cb 0.22 -0.73 0.49 0.00 -0.64 0.00 0.00 41.12 40.46 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 0.00 0.00 -2.24 2.35 -1.94 -3.24 115.58 110.51 1kx7 h ASN 41 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 1kx7 h ASN 41 Cb 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 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 -2.46 2.42 -0.18 1.61 4.32 -0.40 -3.93 117.00 118.38 1kx7 n LEU 42 Ca 0.03 0.04 0.17 0.00 -0.02 0.00 0.00 56.01 56.22 1kx7 n LEU 42 Cb 0.31 -0.70 0.52 0.00 -1.62 0.00 0.00 43.42 41.92 1kx7 n LEU 42 CO 0.24 0.70 1.21 1.62 -1.22 0.00 0.00 177.39 179.95 1kx7 h VAL 43 N -0.32 0.76 -0.48 4.08 3.04 -1.69 0.49 116.25 122.13 1kx7 h VAL 43 Ca -0.51 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 1kx7 h VAL 43 Cb 1.63 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 1kx7 h VAL 43 CO -0.18 0.07 0.18 0.07 -1.01 0.00 0.00 177.57 176.70 1kx7 h LYS 44 N 0.39 0.72 -0.16 4.17 2.10 -1.74 -1.88 116.57 120.17 1kx7 h LYS 44 Ca 0.39 -0.14 -0.08 0.00 -2.00 0.00 0.00 60.65 58.82 1kx7 h LYS 44 Cb 0.94 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1kx7 h LYS 44 CO -0.12 0.66 -0.25 0.77 -2.00 0.00 0.00 179.45 178.51 1kx7 h SER 45 N 0.63 0.29 0.49 7.07 0.02 -1.08 -0.85 113.55 120.12 1kx7 h SER 45 Ca 0.16 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1kx7 h SER 45 Cb 0.22 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1kx7 h SER 45 CO -0.01 0.55 -0.23 0.58 -1.14 0.00 0.00 176.83 176.57 1kx7 h VAL 46 N 0.26 0.52 -0.22 2.27 2.07 -1.11 -2.09 116.25 117.94 1kx7 h VAL 46 Ca 0.04 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1kx7 h VAL 46 Cb 0.59 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1kx7 h VAL 46 CO 0.04 0.01 0.15 0.07 0.02 0.00 0.00 177.57 177.86 1kx7 h LYS 47 N -0.68 0.25 0.00 1.57 2.10 -0.94 -1.47 116.57 117.40 1kx7 h LYS 47 Ca -0.07 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 1kx7 h LYS 47 Cb 0.51 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1kx7 h LYS 47 CO 0.11 0.16 -0.42 1.15 -2.00 0.00 0.00 179.45 178.46 1kx7 h THR 48 N 0.25 1.05 -3.61 0.07 2.02 -1.00 -2.78 112.91 108.91 1kx7 h THR 48 Ca 0.09 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1kx7 h THR 48 Cb 0.04 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1kx7 h THR 48 CO -0.02 0.41 -0.30 0.61 0.37 0.00 0.00 175.52 176.59 1kx7 n GLY 49 N 0.08 -3.28 3.51 2.16 0.00 -0.62 -4.75 105.19 102.29 1kx7 n GLY 49 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.45 1.02 0.11 0.99 0.20 -1.19 -4.79 118.68 114.57 1kx7 s LEU 50 Ca -0.01 1.56 -0.32 0.00 0.69 0.00 0.00 54.13 56.06 1kx7 s LEU 50 Cb 0.00 -3.52 -0.12 0.00 -0.43 0.00 0.00 46.19 42.13 1kx7 s LEU 50 CO 0.23 -4.09 1.58 0.78 -0.29 0.00 0.00 176.35 174.56 1kx7 h ASN 51 N -2.55 -1.27 -0.17 3.68 2.35 -1.97 0.18 115.58 115.83 1kx7 h ASN 51 Ca -0.60 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1kx7 h ASN 51 Cb 1.33 0.47 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1kx7 h ASN 51 CO 0.50 -0.52 0.00 0.00 -1.65 0.00 0.00 177.43 175.76 1kx7 n ALA 52 N -2.83 2.81 -3.52 -0.83 0.00 -1.26 -4.89 120.51 109.99 1kx7 n ALA 52 Ca -0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.64 1kx7 n ALA 52 Cb 0.39 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.54 1.24 0.42 0.00 0.00 0.63 -5.12 119.30 114.93 1kx7 s MET 53 Ca 0.15 -0.26 -0.26 0.00 0.00 0.00 0.00 55.69 55.33 1kx7 s MET 53 Cb 0.11 -1.10 -0.08 0.00 0.00 0.00 0.00 34.83 33.76 1kx7 s MET 53 CO 0.06 -0.02 1.31 -1.25 0.00 0.00 0.00 175.02 175.12 1kx7 s PRO 54 N 0.74 3.88 0.24 4.11 0.04 -1.26 -3.19 135.00 139.57 1kx7 s PRO 54 Ca -0.13 2.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 1kx7 s PRO 54 Cb -0.15 -2.70 -0.11 0.00 0.04 0.00 0.00 34.50 31.58 1kx7 s PRO 54 CO 0.02 -0.57 1.59 -1.25 0.04 0.00 0.00 177.00 176.83 1kx7 s PRO 55 N -2.32 4.16 -0.06 0.56 0.04 -1.26 -0.73 135.00 135.39 1kx7 s PRO 55 Ca 0.58 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1kx7 s PRO 55 Cb -0.38 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1kx7 s PRO 55 CO 0.49 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1kx7 n GLY 56 N 2.86 0.46 3.50 0.56 0.00 -0.77 -3.84 105.19 107.96 1kx7 n GLY 56 Ca 0.11 -0.16 -0.20 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 -2.40 -0.63 4.53 -0.02 0.00 0.09 -2.96 105.19 103.80 1kx7 n GLY 57 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.94 0.00 -1.82 1.61 1.56 -1.22 -4.76 117.12 108.55 1kx7 n MET 58 Ca -0.21 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.92 1kx7 n MET 58 Cb 0.65 0.00 0.04 0.00 2.15 0.00 0.00 33.22 36.06 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 -2.96 1.08 -1.81 0.00 -1.04 -1.26 -4.13 114.28 104.17 1kx7 n THR 60 Ca 0.07 0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.88 1kx7 n THR 60 Cb 0.56 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 -3.66 5.06 -4.33 8.00 -0.08 -1.26 -4.90 116.55 115.38 1kx7 n ASP 61 Ca -0.07 -2.87 -0.36 0.00 -1.51 0.00 0.00 54.79 49.98 1kx7 n ASP 61 Cb 0.26 -1.59 -0.13 0.00 2.34 0.00 0.00 41.12 42.00 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 1.49 4.95 0.43 0.00 -4.23 -1.26 -4.90 115.64 112.11 1kx7 s THR 63 Ca 0.04 1.64 0.25 0.00 -1.18 0.00 0.00 61.69 62.44 1kx7 s THR 63 Cb -0.16 -4.13 0.45 0.00 1.34 0.00 0.00 72.50 70.00 1kx7 s THR 63 CO 0.00 0.24 1.70 0.44 -0.54 0.00 0.00 174.62 176.47 1kx7 h ASP 64 N 6.62 0.32 0.01 3.99 5.19 -1.99 0.26 116.42 130.82 1kx7 h ASP 64 Ca -0.41 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1kx7 h ASP 64 Cb 1.20 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 1kx7 h ASP 64 CO 0.75 -0.05 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.96 1kx7 h GLU 65 N 0.22 -0.65 0.00 3.56 4.39 -1.99 0.20 114.58 120.30 1kx7 h GLU 65 Ca 0.70 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 60.35 1kx7 h GLU 65 Cb 2.08 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.86 1kx7 h GLU 65 CO -0.33 -0.44 -0.47 -0.44 -1.16 0.00 0.00 179.01 176.17 1kx7 h ASP 66 N -0.68 0.00 0.42 1.42 5.19 -1.05 -1.79 116.42 119.93 1kx7 h ASP 66 Ca 0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1kx7 h ASP 66 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1kx7 h ASP 66 CO -0.35 0.47 -0.20 0.22 -3.12 0.00 0.00 179.24 176.26 1kx7 h TYR 67 N 0.00 -0.52 -0.50 4.55 5.03 -0.47 -0.83 116.97 124.23 1kx7 h TYR 67 Ca -0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1kx7 h TYR 67 Cb 1.10 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.52 1kx7 h TYR 67 CO 0.00 -0.20 0.28 1.57 -1.32 0.00 0.00 178.16 178.49 1kx7 h LYS 68 N -0.86 0.70 -0.21 1.82 5.09 -0.64 0.17 116.57 122.64 1kx7 h LYS 68 Ca -0.06 -0.08 0.06 0.00 0.09 0.00 0.00 60.65 60.66 1kx7 h LYS 68 Cb 0.55 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 1kx7 h LYS 68 CO 0.09 0.54 0.26 0.00 -2.09 0.00 0.00 179.45 178.26 1kx7 h ALA 69 N 1.12 1.80 0.04 0.07 0.00 -1.30 0.16 119.26 121.14 1kx7 h ALA 69 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1kx7 h ALA 69 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kx7 h ALA 69 CO -0.03 -0.37 -0.93 0.00 0.00 0.00 0.00 179.25 177.93 1kx7 h ALA 70 N 1.68 0.15 -0.28 0.00 0.00 0.52 -2.78 119.26 118.55 1kx7 h ALA 70 Ca 0.10 -0.96 0.07 0.00 0.00 0.00 0.00 54.91 54.13 1kx7 h ALA 70 Cb 0.62 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1kx7 h ALA 70 CO -0.00 0.53 0.20 0.97 0.00 0.00 0.00 179.25 180.95 1kx7 h ILE 71 N -0.78 0.88 0.00 0.00 6.09 -0.07 -0.97 117.51 122.67 1kx7 h ILE 71 Ca -0.23 -0.01 -0.23 0.00 -1.37 0.00 0.00 64.86 63.02 1kx7 h ILE 71 Cb 1.36 0.84 -0.04 0.00 0.47 0.00 0.00 36.82 39.45 1kx7 h ILE 71 CO -0.06 0.01 -1.35 1.05 -3.07 0.00 0.00 178.15 174.73 1kx7 h GLU 72 N 0.04 0.00 -0.32 2.19 4.11 -0.86 -2.60 114.58 117.13 1kx7 h GLU 72 Ca 0.13 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.63 1kx7 h GLU 72 Cb 0.48 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1kx7 h GLU 72 CO -0.01 0.57 -0.16 0.35 0.07 0.00 0.00 179.01 179.84 1kx7 h PHE 73 N 0.00 -0.39 -0.48 2.06 3.04 -0.87 -1.34 116.94 118.96 1kx7 h PHE 73 Ca -0.16 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.76 1kx7 h PHE 73 Cb 1.80 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 40.51 1kx7 h PHE 73 CO 0.00 -0.24 0.01 0.52 -2.02 0.00 0.00 178.31 176.59 1kx7 h MET 74 N -0.11 0.78 0.00 1.11 2.86 -1.76 -3.47 114.93 114.35 1kx7 h MET 74 Ca 0.17 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1kx7 h MET 74 Cb 0.36 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1kx7 h MET 74 CO -0.40 0.78 0.00 0.45 1.06 0.00 0.00 176.91 178.80 1kx7 n SER 75 N -4.23 0.00 0.00 1.22 2.88 -0.51 -4.79 113.62 108.20 1kx7 n SER 75 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1kx7 n SER 75 Cb 0.29 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.60 0.00 0.00 -1.46 2.85 -1.19 -4.72 118.16 112.04 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 1.18 0.58 0.00 -0.99 -4.76 120.51 116.52 1kx7 n ALA 77 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1kx7 n ALA 77 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86