#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 -1.02 -0.79 0.00 1.01 -1.26 -5.07 116.67 109.54 1kx7 s ASP -2 Ca 0.00 1.53 0.02 0.00 0.71 0.00 0.00 52.55 54.81 1kx7 s ASP -2 Cb 0.00 1.76 0.34 0.00 1.01 0.00 0.00 42.92 46.02 1kx7 s ASP -2 CO 0.00 -0.23 1.46 0.00 0.21 0.00 0.00 175.17 176.61 1kx7 n LEU -1 N 4.79 6.10 0.04 1.23 -0.00 -1.26 -4.64 117.00 123.25 1kx7 n LEU -1 Ca -0.17 -5.43 0.11 0.00 -0.00 0.00 0.00 56.01 50.52 1kx7 n LEU -1 Cb 0.55 -0.87 -0.09 0.00 -0.00 0.00 0.00 43.42 43.00 1kx7 n LEU -1 CO -0.03 2.15 -0.41 0.00 -0.00 0.00 0.00 177.39 179.11 1kx7 n GLN 1 N -0.22 0.64 -3.69 1.47 3.00 -1.26 -4.86 117.38 112.46 1kx7 n GLN 1 Ca 0.41 -0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 57.21 1kx7 n GLN 1 Cb 0.34 -1.66 -0.14 0.00 0.00 0.00 0.00 30.24 28.78 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 -4.91 0.35 0.31 1.08 -1.08 -1.26 -5.03 116.67 106.12 1kx7 s ASP 2 Ca -0.05 0.44 0.04 0.00 -0.52 0.00 0.00 52.55 52.47 1kx7 s ASP 2 Cb 0.12 0.43 0.66 0.00 -1.46 0.00 0.00 42.92 42.67 1kx7 s ASP 2 CO 0.86 -0.22 1.84 0.00 0.52 0.00 0.00 175.17 178.16 1kx7 h ALA 3 N 8.02 1.64 -0.31 3.66 0.00 -1.89 0.17 119.26 130.55 1kx7 h ALA 3 Ca -0.21 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1kx7 h ALA 3 Cb 1.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1kx7 h ALA 3 CO 0.21 0.09 0.16 1.49 0.00 0.00 0.00 179.25 181.20 1kx7 h GLU 4 N 0.87 0.32 -0.10 0.00 4.81 -1.93 -1.46 114.58 117.09 1kx7 h GLU 4 Ca 0.50 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.62 1kx7 h GLU 4 Cb 0.63 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1kx7 h GLU 4 CO -0.27 0.21 -0.32 0.00 -0.73 0.00 0.00 179.01 177.90 1kx7 h ALA 5 N 1.16 1.28 0.07 2.92 0.00 -1.49 0.20 119.26 123.40 1kx7 h ALA 5 Ca 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1kx7 h ALA 5 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kx7 h ALA 5 CO -0.08 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.45 1kx7 h ILE 6 N 0.16 1.13 -0.34 0.00 1.08 -0.45 0.21 117.51 119.31 1kx7 h ILE 6 Ca 0.02 -0.70 -0.09 0.00 -0.39 0.00 0.00 64.86 63.70 1kx7 h ILE 6 Cb 0.66 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1kx7 h ILE 6 CO 0.05 0.17 -0.15 0.10 -0.69 0.00 0.00 178.15 177.64 1kx7 h TYR 7 N -0.41 0.80 0.00 1.37 -0.00 -1.00 0.27 116.97 118.00 1kx7 h TYR 7 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 58.73 58.50 1kx7 h TYR 7 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 1kx7 h TYR 7 CO 0.03 0.89 -0.12 -0.97 -0.00 0.00 0.00 178.16 178.00 1kx7 h ASN 8 N 0.47 0.00 0.38 0.10 -1.24 -0.60 0.11 115.58 114.81 1kx7 h ASN 8 Ca 0.08 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.68 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.68 1kx7 h ASN 8 CO 0.05 0.12 -1.83 1.17 -1.29 0.00 0.00 177.43 175.64 1kx7 n LYS 9 N -3.33 0.66 -0.01 6.67 4.81 0.74 -4.68 118.16 123.02 1kx7 n LYS 9 Ca -0.00 0.26 -0.02 0.00 -0.87 0.00 0.00 58.31 57.68 1kx7 n LYS 9 Cb 0.33 -1.75 -0.01 0.00 0.02 0.00 0.00 35.03 33.62 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kx7 n ALA 10 N -2.65 1.61 -0.38 3.14 0.00 0.08 -4.66 120.51 117.66 1kx7 n ALA 10 Ca -0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 1kx7 n ALA 10 Cb 1.06 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 1.65 0.29 -0.10 0.00 5.66 -1.11 -3.75 114.28 116.92 1kx7 n THR 12 Ca 0.01 -0.56 -0.18 0.00 -3.05 0.00 0.00 64.05 60.26 1kx7 n THR 12 Cb 0.38 0.97 -0.07 0.00 -1.55 0.00 0.00 70.33 70.05 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 -0.14 1.06 -0.04 1.08 0.31 -1.25 -4.52 118.33 114.82 1kx7 n VAL 13 Ca 0.00 -0.31 -0.03 0.00 -0.01 0.00 0.00 64.34 63.99 1kx7 n VAL 13 Cb 0.13 -1.57 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.60 0.00 0.22 0.00 -0.00 -1.84 0.36 115.15 113.29 1kx7 h HIS 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1kx7 h HIS 15 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1kx7 h HIS 15 CO -0.14 0.20 -0.21 0.77 -0.00 0.00 0.00 177.93 178.55 1kx7 h SER 16 N 0.00 -0.54 0.00 2.45 0.02 -1.79 -1.97 113.55 111.71 1kx7 h SER 16 Ca -0.00 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1kx7 h SER 16 Cb 0.82 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1kx7 h SER 16 CO 0.03 -0.31 -2.03 0.23 -1.14 0.00 0.00 176.83 173.61 1kx7 n MET 17 N -5.33 0.76 -0.80 3.45 2.81 -1.21 -4.68 117.12 112.12 1kx7 n MET 17 Ca -0.08 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1kx7 n MET 17 Cb 0.24 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.58 0.52 3.94 3.03 0.00 0.10 -5.03 105.19 109.33 1kx7 n GLY 18 Ca -0.13 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.84 4.76 -1.89 1.61 1.01 0.15 -4.13 120.40 120.06 1kx7 s VAL 19 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1kx7 s VAL 19 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1kx7 s VAL 19 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 175.10 174.60 1kx7 n ALA 20 N -1.89 -0.27 -1.04 5.51 0.00 -1.26 -0.67 120.51 120.88 1kx7 n ALA 20 Ca -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 1kx7 n ALA 20 Cb 0.57 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.23 0.51 3.77 0.00 0.00 -1.26 -5.01 105.19 102.98 1kx7 n GLY 21 Ca -0.18 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.04 3.06 0.20 4.61 0.00 0.15 -5.00 121.76 122.74 1kx7 s ALA 22 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 1kx7 s ALA 22 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1kx7 s ALA 22 CO 0.00 -0.49 1.05 -1.25 0.00 0.00 0.00 175.76 175.07 1kx7 s PRO 23 N -2.51 4.67 0.35 0.00 0.04 -1.26 -4.51 135.00 131.78 1kx7 s PRO 23 Ca 0.60 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 1kx7 s PRO 23 Cb -0.27 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 30.88 1kx7 s PRO 23 CO 0.34 0.21 1.42 0.21 0.04 0.00 0.00 177.00 179.21 1kx7 s LYS 24 N -0.67 4.21 0.48 4.56 2.20 -1.26 -4.73 119.74 124.53 1kx7 s LYS 24 Ca 0.46 2.42 0.25 0.00 -0.36 0.00 0.00 55.97 58.74 1kx7 s LYS 24 Cb -0.28 -3.02 1.29 0.00 -1.51 0.00 0.00 37.83 34.31 1kx7 s LYS 24 CO 0.35 -0.39 1.87 0.66 -0.36 0.00 0.00 175.35 177.47 1kx7 h SER 25 N 3.28 0.20 -3.26 1.43 4.64 -1.63 -3.35 113.55 114.86 1kx7 h SER 25 Ca -0.50 0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 1kx7 h SER 25 Cb 1.23 -0.01 -0.39 0.00 -0.31 0.00 0.00 62.40 62.92 1kx7 h SER 25 CO 0.66 0.07 -0.77 -1.38 -0.87 0.00 0.00 176.83 174.54 1kx7 s HIS 26 N -5.20 0.96 0.21 4.77 -3.43 -1.26 -4.67 115.29 106.66 1kx7 s HIS 26 Ca -0.07 -0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 53.46 1kx7 s HIS 26 Cb 0.22 -0.97 0.02 0.00 -1.43 0.00 0.00 32.58 30.42 1kx7 s HIS 26 CO 0.78 -0.49 0.51 -0.80 -2.00 0.00 0.00 174.74 172.74 1kx7 s ASN 27 N 1.88 -0.20 -0.12 7.38 0.01 -1.26 -5.08 114.94 117.55 1kx7 s ASN 27 Ca 0.02 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1kx7 s ASN 27 Cb -0.15 0.58 -0.10 0.00 0.41 0.00 0.00 41.25 42.00 1kx7 s ASN 27 CO -0.07 -1.08 -0.05 0.41 -1.51 0.00 0.00 177.10 174.80 1kx7 n THR 28 N -0.35 0.72 0.17 1.60 -1.04 -1.26 -4.51 114.28 109.60 1kx7 n THR 28 Ca -0.08 -0.34 0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1kx7 n THR 28 Cb 0.62 -0.87 0.09 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 0.20 0.82 0.01 2.41 0.00 -1.99 0.80 119.26 121.50 1kx7 h ALA 29 Ca -0.28 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1kx7 h ALA 29 Cb 1.51 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1kx7 h ALA 29 CO -0.02 0.19 -0.96 0.22 0.00 0.00 0.00 179.25 178.68 1kx7 h ASP 30 N 0.00 0.05 0.22 0.00 1.82 -1.97 -3.35 116.42 113.20 1kx7 h ASP 30 Ca -0.01 -0.05 -0.34 0.00 -0.39 0.00 0.00 57.03 56.24 1kx7 h ASP 30 Cb 1.12 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 41.07 1kx7 h ASP 30 CO 0.02 0.97 -2.01 0.79 -1.61 0.00 0.00 179.24 177.40 1kx7 n TRP 31 N -3.45 0.86 -0.28 0.28 7.02 -1.17 -4.51 117.44 116.20 1kx7 n TRP 31 Ca -0.01 0.23 -0.08 0.00 -1.02 0.00 0.00 57.50 56.63 1kx7 n TRP 31 Cb 0.89 -1.13 -0.03 0.00 -2.42 0.00 0.00 31.31 28.62 1kx7 n TRP 31 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1kx7 h GLU 32 N 0.03 -0.14 0.00 -0.99 4.22 -0.96 0.13 114.58 116.87 1kx7 h GLU 32 Ca -0.41 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1kx7 h GLU 32 Cb 2.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1kx7 h GLU 32 CO 0.06 -0.10 0.00 -0.35 -2.18 0.00 0.00 179.01 176.44 1kx7 n PRO 33 N -5.39 0.10 -0.11 0.92 -0.04 -1.26 -2.53 135.00 126.69 1kx7 n PRO 33 Ca 0.03 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 1kx7 n PRO 33 Cb 0.34 -1.50 -0.10 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 -1.38 0.56 0.00 0.54 5.12 -0.12 -4.16 116.66 117.22 1kx7 n ARG 34 Ca 0.04 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 1kx7 n ARG 34 Cb 0.11 -1.65 0.01 0.00 -1.16 0.00 0.00 32.46 29.77 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 -4.40 0.00 0.01 0.55 4.77 -0.29 -2.44 117.00 115.21 1kx7 n LEU 35 Ca -0.35 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.44 1kx7 n LEU 35 Cb 0.69 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.64 1kx7 n LEU 35 CO 0.13 0.00 -0.70 0.00 -1.33 0.00 0.00 177.39 175.50 1kx7 h ALA 36 N 1.30 0.46 0.08 -1.18 0.00 -1.65 -3.39 119.26 114.88 1kx7 h ALA 36 Ca 0.00 -1.36 -0.37 0.00 0.00 0.00 0.00 54.91 53.18 1kx7 h ALA 36 Cb 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1kx7 h ALA 36 CO 0.00 1.32 -2.11 1.63 0.00 0.00 0.00 179.25 180.10 1kx7 n LYS 37 N -3.41 0.72 0.00 0.00 5.02 -1.02 -5.11 118.16 114.35 1kx7 n LYS 37 Ca -0.27 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1kx7 n LYS 37 Cb 1.05 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 2.01 -0.35 1.38 0.72 0.00 -1.09 -5.01 105.19 102.86 1kx7 n GLY 38 Ca -0.34 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 3.20 0.77 -0.43 1.61 0.31 -1.26 -3.67 118.33 118.86 1kx7 n VAL 39 Ca 0.00 0.25 0.36 0.00 -0.01 0.00 0.00 64.34 64.94 1kx7 n VAL 39 Cb 0.00 -1.18 0.67 0.00 -0.91 0.00 0.00 33.84 32.42 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kx7 h ASP 40 N 0.00 0.19 -0.50 4.52 5.19 -1.95 0.62 116.42 124.49 1kx7 h ASP 40 Ca 0.00 0.07 0.15 0.00 -0.62 0.00 0.00 57.03 56.62 1kx7 h ASP 40 Cb 0.00 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1kx7 h ASP 40 CO 0.00 -0.04 0.69 0.78 -3.12 0.00 0.00 179.24 177.55 1kx7 h ASN 41 N 0.12 0.00 0.02 6.45 2.35 -1.94 0.01 115.58 122.59 1kx7 h ASN 41 Ca 0.72 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 56.11 1kx7 h ASN 41 Cb 2.44 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.76 1kx7 h ASN 41 CO -0.22 0.00 -1.99 0.18 -1.65 0.00 0.00 177.43 173.76 1kx7 n LEU 42 N -3.36 2.17 -0.24 1.61 7.99 0.21 -3.59 117.00 121.79 1kx7 n LEU 42 Ca 0.10 0.28 0.19 0.00 -0.01 0.00 0.00 56.01 56.58 1kx7 n LEU 42 Cb 0.88 -0.93 0.52 0.00 -0.11 0.00 0.00 43.42 43.77 1kx7 n LEU 42 CO 0.22 0.56 1.22 1.62 -1.51 0.00 0.00 177.39 179.51 1kx7 h VAL 43 N -0.69 0.67 -0.32 4.08 3.04 -1.31 0.30 116.25 122.02 1kx7 h VAL 43 Ca -0.52 -0.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.97 1kx7 h VAL 43 Cb 1.61 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1kx7 h VAL 43 CO -0.22 0.07 -0.09 0.07 -1.01 0.00 0.00 177.57 176.39 1kx7 h LYS 44 N 0.39 0.62 -0.53 4.17 2.10 -1.23 -1.90 116.57 120.19 1kx7 h LYS 44 Ca 0.47 -0.24 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 1kx7 h LYS 44 Cb 1.19 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1kx7 h LYS 44 CO -0.17 0.81 0.16 0.77 -2.00 0.00 0.00 179.45 179.02 1kx7 h SER 45 N 0.39 0.77 -0.08 7.07 0.02 -0.63 0.39 113.55 121.49 1kx7 h SER 45 Ca 0.08 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1kx7 h SER 45 Cb 0.59 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1kx7 h SER 45 CO 0.03 0.77 0.01 1.62 -1.14 0.00 0.00 176.83 178.13 1kx7 h VAL 46 N 0.72 1.23 -0.16 2.27 3.04 -0.78 0.15 116.25 122.72 1kx7 h VAL 46 Ca 0.17 -0.71 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 1kx7 h VAL 46 Cb 0.28 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1kx7 h VAL 46 CO -0.00 0.20 -0.03 0.07 -1.01 0.00 0.00 177.57 176.80 1kx7 h LYS 47 N -0.13 0.24 -0.05 4.17 5.09 -1.23 -0.60 116.57 124.06 1kx7 h LYS 47 Ca 0.02 -0.04 -0.18 0.00 0.09 0.00 0.00 60.65 60.54 1kx7 h LYS 47 Cb 0.31 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 1kx7 h LYS 47 CO 0.00 0.29 -0.76 1.15 -2.09 0.00 0.00 179.45 178.04 1kx7 h THR 48 N 0.23 1.42 -0.89 0.07 2.02 -0.63 -0.25 112.91 114.88 1kx7 h THR 48 Ca 0.05 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1kx7 h THR 48 Cb 0.21 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1kx7 h THR 48 CO 0.01 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.18 1kx7 n GLY 49 N 0.61 -1.27 0.01 2.16 0.00 0.50 -4.23 105.19 102.97 1kx7 n GLY 49 Ca -0.04 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.24 0.99 7.94 -1.23 -4.85 117.00 120.10 1kx7 n LEU 50 Ca 0.00 -0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1kx7 n LEU 50 Cb 0.00 -0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.87 1kx7 n LEU 50 CO 0.00 -0.79 0.47 0.78 -1.11 0.00 0.00 177.39 176.74 1kx7 h ASN 51 N -0.58 -0.55 -0.01 1.96 2.35 -1.99 -2.82 115.58 113.96 1kx7 h ASN 51 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1kx7 h ASN 51 Cb 0.00 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1kx7 h ASN 51 CO 0.00 -0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.60 1kx7 n ALA 52 N -2.58 2.65 -2.61 -0.83 0.00 -1.26 -4.85 120.51 111.04 1kx7 n ALA 52 Ca -0.10 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 1kx7 n ALA 52 Cb 0.31 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.99 2.77 0.52 0.00 -1.94 -1.06 -5.12 119.30 112.48 1kx7 s MET 53 Ca 0.40 -0.54 -0.20 0.00 -1.71 0.00 0.00 55.69 53.63 1kx7 s MET 53 Cb 0.18 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 34.34 1kx7 s MET 53 CO 0.31 0.66 1.13 -1.25 -0.01 0.00 0.00 175.02 175.87 1kx7 s PRO 54 N -0.93 3.46 -0.43 2.03 0.04 -1.26 -3.85 135.00 134.06 1kx7 s PRO 54 Ca 0.13 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1kx7 s PRO 54 Cb -0.11 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1kx7 s PRO 54 CO 0.03 -0.77 2.02 -1.25 0.04 0.00 0.00 177.00 177.06 1kx7 s PRO 55 N -3.15 2.83 0.00 0.56 0.04 -1.26 -2.11 135.00 131.91 1kx7 s PRO 55 Ca 0.71 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1kx7 s PRO 55 Cb -0.25 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1kx7 s PRO 55 CO 0.28 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.27 1kx7 n GLY 56 N 5.68 1.65 2.97 0.56 0.00 -0.11 -4.70 105.19 111.24 1kx7 n GLY 56 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.82 -0.49 2.40 -0.02 0.00 -0.30 -0.53 105.19 105.43 1kx7 n GLY 57 Ca 0.00 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.37 -1.66 -3.78 1.61 1.56 -1.26 -4.80 117.12 105.43 1kx7 n MET 58 Ca -0.07 1.01 -0.24 0.00 -0.27 0.00 0.00 57.70 58.13 1kx7 n MET 58 Cb 0.57 -5.67 -0.03 0.00 2.15 0.00 0.00 33.22 30.25 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 -1.31 0.00 -1.35 0.00 5.66 -1.26 -4.88 114.28 111.13 1kx7 n THR 60 Ca -0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.73 1kx7 n THR 60 Cb 0.52 -0.08 0.17 0.00 -1.55 0.00 0.00 70.33 69.39 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1kx7 n ASP 61 N -2.74 3.66 -4.57 1.09 9.92 -1.26 -4.98 116.55 117.67 1kx7 n ASP 61 Ca 0.00 -3.70 -0.42 0.00 -0.53 0.00 0.00 54.79 50.14 1kx7 n ASP 61 Cb 0.00 -0.76 -0.06 0.00 -0.64 0.00 0.00 41.12 39.66 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kx7 s THR 63 N 2.95 4.73 0.42 0.00 -4.23 -1.26 -4.82 115.64 113.44 1kx7 s THR 63 Ca 0.28 0.83 0.23 0.00 -1.18 0.00 0.00 61.69 61.85 1kx7 s THR 63 Cb -0.14 -3.64 0.43 0.00 1.34 0.00 0.00 72.50 70.49 1kx7 s THR 63 CO 0.17 -0.26 1.75 0.44 -0.54 0.00 0.00 174.62 176.18 1kx7 h ASP 64 N 2.03 0.35 -0.26 3.99 3.32 -1.97 0.51 116.42 124.39 1kx7 h ASP 64 Ca -0.48 0.08 0.06 0.00 0.02 0.00 0.00 57.03 56.71 1kx7 h ASP 64 Cb 1.18 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1kx7 h ASP 64 CO 0.65 0.03 -0.37 1.05 -1.72 0.00 0.00 179.24 178.88 1kx7 h GLU 65 N 0.29 -0.35 0.02 3.56 4.11 -1.98 0.23 114.58 120.45 1kx7 h GLU 65 Ca 0.63 0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.84 1kx7 h GLU 65 Cb 1.77 0.08 0.01 0.00 0.50 0.00 0.00 28.75 31.11 1kx7 h GLU 65 CO -0.28 -0.24 -1.01 -0.44 0.07 0.00 0.00 179.01 177.12 1kx7 h ASP 66 N -0.37 0.64 0.30 3.06 3.32 -1.36 -1.86 116.42 120.16 1kx7 h ASP 66 Ca 0.12 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1kx7 h ASP 66 Cb 0.57 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1kx7 h ASP 66 CO -0.46 1.33 -0.14 0.22 -1.72 0.00 0.00 179.24 178.47 1kx7 h TYR 67 N 0.26 -0.37 -0.25 4.55 5.03 -0.78 0.80 116.97 126.22 1kx7 h TYR 67 Ca -0.10 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 1kx7 h TYR 67 Cb 1.66 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 40.05 1kx7 h TYR 67 CO 0.07 -0.22 0.05 0.87 -1.32 0.00 0.00 178.16 177.61 1kx7 h LYS 68 N -0.41 0.41 -0.80 1.82 1.79 -0.64 -1.93 116.57 116.81 1kx7 h LYS 68 Ca -0.04 -0.10 0.16 0.00 -2.18 0.00 0.00 60.65 58.48 1kx7 h LYS 68 Cb 0.31 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 1kx7 h LYS 68 CO 0.07 0.52 0.53 0.00 -1.08 0.00 0.00 179.45 179.49 1kx7 h ALA 69 N 0.87 2.08 -0.23 3.86 0.00 -1.18 0.29 119.26 124.94 1kx7 h ALA 69 Ca 0.08 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1kx7 h ALA 69 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kx7 h ALA 69 CO 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 179.25 178.66 1kx7 h ALA 70 N 1.63 0.35 -0.53 0.00 0.00 -0.18 0.18 119.26 120.71 1kx7 h ALA 70 Ca 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kx7 h ALA 70 Cb 0.87 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1kx7 h ALA 70 CO -0.14 0.36 0.34 0.82 0.00 0.00 0.00 179.25 180.63 1kx7 h ILE 71 N 0.30 1.14 0.00 0.00 5.03 -0.62 -3.19 117.51 120.17 1kx7 h ILE 71 Ca 0.03 -0.27 -0.14 0.00 -0.12 0.00 0.00 64.86 64.36 1kx7 h ILE 71 Cb 0.86 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 1kx7 h ILE 71 CO 0.07 0.14 -0.65 1.05 -0.68 0.00 0.00 178.15 178.08 1kx7 h GLU 72 N 0.71 0.00 -0.66 2.37 4.11 -0.34 -2.60 114.58 118.17 1kx7 h GLU 72 Ca 0.19 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.75 1kx7 h GLU 72 Cb -0.07 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.06 1kx7 h GLU 72 CO -0.04 0.65 -0.16 0.35 0.07 0.00 0.00 179.01 179.88 1kx7 h PHE 73 N 0.00 -0.35 -0.10 2.06 3.04 -0.63 -2.31 116.94 118.65 1kx7 h PHE 73 Ca -0.01 0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1kx7 h PHE 73 Cb 1.31 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.07 1kx7 h PHE 73 CO 0.00 -0.28 -0.05 0.52 -2.02 0.00 0.00 178.31 176.47 1kx7 h MET 74 N -0.00 0.22 0.00 1.11 2.86 -1.60 -3.48 114.93 114.03 1kx7 h MET 74 Ca 0.31 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1kx7 h MET 74 Cb 0.48 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1kx7 h MET 74 CO -0.68 0.58 0.00 0.45 1.06 0.00 0.00 176.91 178.32 1kx7 n SER 75 N -4.71 0.00 0.00 1.22 2.88 -0.87 -4.82 113.62 107.32 1kx7 n SER 75 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1kx7 n SER 75 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.23 0.00 0.00 -1.46 2.85 -1.24 -4.51 118.16 113.57 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 1.39 0.58 0.00 -1.26 -4.71 120.51 116.51 1kx7 n ALA 77 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1kx7 n ALA 77 Cb 0.00 0.00 0.43 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