#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 -0.67 -1.41 0.00 -1.08 -1.26 -5.06 116.67 107.19 1kx7 s ASP -2 Ca 0.00 1.04 -0.10 0.00 -0.52 0.00 0.00 52.55 52.97 1kx7 s ASP -2 Cb 0.00 1.36 -0.07 0.00 -1.46 0.00 0.00 42.92 42.75 1kx7 s ASP -2 CO 0.00 -0.16 2.64 0.00 0.52 0.00 0.00 175.17 178.17 1kx7 n LEU -1 N 4.09 7.50 -0.01 -1.34 -0.00 -1.26 -4.27 117.00 121.71 1kx7 n LEU -1 Ca -0.18 -3.94 0.05 0.00 -0.00 0.00 0.00 56.01 51.94 1kx7 n LEU -1 Cb 0.57 -1.45 -0.09 0.00 -0.00 0.00 0.00 43.42 42.46 1kx7 n LEU -1 CO 0.00 1.54 -0.64 1.67 -0.00 0.00 0.00 177.39 179.96 1kx7 n GLN 1 N 4.14 0.38 -3.11 1.47 -0.06 -1.26 -4.95 117.38 113.98 1kx7 n GLN 1 Ca 0.67 -0.10 -0.10 0.00 -2.00 0.00 0.00 57.00 55.47 1kx7 n GLN 1 Cb 0.23 -1.26 -0.03 0.00 -4.06 0.00 0.00 30.24 25.12 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 -1.89 -0.70 -0.07 1.69 -0.08 -1.26 -5.05 116.55 109.18 1kx7 n ASP 2 Ca -0.02 -2.19 -0.22 0.00 -1.51 0.00 0.00 54.79 50.84 1kx7 n ASP 2 Cb 0.30 1.37 -0.12 0.00 2.34 0.00 0.00 41.12 45.01 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 n ALA 3 N -1.62 1.01 -0.28 -1.67 0.00 -1.26 -3.55 120.51 113.14 1kx7 n ALA 3 Ca -0.08 -0.74 0.11 0.00 0.00 0.00 0.00 53.44 52.72 1kx7 n ALA 3 Cb 0.36 -0.41 0.35 0.00 0.00 0.00 0.00 19.45 19.74 1kx7 n ALA 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kx7 h GLU 4 N -0.40 0.74 0.00 0.00 4.81 -1.90 0.18 114.58 118.01 1kx7 h GLU 4 Ca -0.48 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.53 1kx7 h GLU 4 Cb 1.74 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.93 1kx7 h GLU 4 CO -0.11 0.49 -0.85 0.00 -0.73 0.00 0.00 179.01 177.81 1kx7 h ALA 5 N 1.59 0.50 0.08 2.92 0.00 -1.90 -3.12 119.26 119.32 1kx7 h ALA 5 Ca 0.45 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1kx7 h ALA 5 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kx7 h ALA 5 CO -0.21 1.06 -0.04 0.97 0.00 0.00 0.00 179.25 181.03 1kx7 h ILE 6 N 0.00 1.18 0.00 0.00 -0.00 -0.81 -2.62 117.51 115.26 1kx7 h ILE 6 Ca -0.01 -1.00 -0.08 0.00 -0.00 0.00 0.00 64.86 63.77 1kx7 h ILE 6 Cb 1.60 1.82 -0.01 0.00 -0.00 0.00 0.00 36.82 40.23 1kx7 h ILE 6 CO 0.11 0.24 -0.38 0.10 -0.00 0.00 0.00 178.15 178.22 1kx7 h TYR 7 N -0.57 0.00 0.00 2.19 -0.00 -1.04 0.40 116.97 117.96 1kx7 h TYR 7 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.70 1kx7 h TYR 7 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.20 1kx7 h TYR 7 CO 0.07 0.38 -0.12 -0.91 -0.00 0.00 0.00 178.16 177.59 1kx7 h ASN 8 N 0.00 0.00 0.00 0.10 -0.26 -1.55 -1.58 115.58 112.30 1kx7 h ASN 8 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.45 1kx7 h ASN 8 Cb 0.70 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.90 1kx7 h ASN 8 CO 0.05 0.12 -2.26 1.17 -1.06 0.00 0.00 177.43 175.44 1kx7 n LYS 9 N -3.43 0.77 0.00 0.81 3.00 -0.53 -4.73 118.16 114.05 1kx7 n LYS 9 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1kx7 n LYS 9 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.81 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 -2.62 1.11 -0.07 3.14 0.00 0.13 -4.63 120.51 117.56 1kx7 n ALA 10 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1kx7 n ALA 10 Cb 1.01 0.00 0.00 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 1.34 0.00 -0.12 0.00 5.66 -1.01 -3.35 114.28 116.80 1kx7 n THR 12 Ca 0.00 -0.49 -0.17 0.00 -3.05 0.00 0.00 64.05 60.34 1kx7 n THR 12 Cb 0.39 1.02 -0.12 0.00 -1.55 0.00 0.00 70.33 70.08 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 -0.19 1.42 -0.05 1.08 0.31 -1.24 -4.43 118.33 115.22 1kx7 n VAL 13 Ca 0.00 -0.55 -0.06 0.00 -0.01 0.00 0.00 64.34 63.73 1kx7 n VAL 13 Cb 0.01 -1.37 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.61 0.00 -0.46 0.00 3.86 -1.80 0.52 115.15 116.66 1kx7 h HIS 15 Ca 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1kx7 h HIS 15 Cb 0.61 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 1kx7 h HIS 15 CO -0.26 0.64 0.13 0.77 0.86 0.00 0.00 177.93 180.07 1kx7 h SER 16 N 0.00 0.08 0.00 2.45 0.02 -1.77 -1.58 113.55 112.75 1kx7 h SER 16 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1kx7 h SER 16 Cb 1.20 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1kx7 h SER 16 CO 0.08 0.08 -0.26 0.80 -1.14 0.00 0.00 176.83 176.39 1kx7 n MET 17 N -5.06 5.30 -2.13 3.45 0.00 -1.21 -4.71 117.12 112.76 1kx7 n MET 17 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.74 1kx7 n MET 17 Cb 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 33.22 32.71 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 1.18 0.50 3.90 -5.12 0.00 0.16 -5.05 105.19 100.76 1kx7 n GLY 18 Ca 0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.01 4.91 -1.89 1.61 1.01 0.14 -4.09 120.40 119.07 1kx7 s VAL 19 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1kx7 s VAL 19 Cb -0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1kx7 s VAL 19 CO 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 175.10 174.43 1kx7 n ALA 20 N -1.84 -0.38 -0.97 5.51 0.00 -1.26 -0.45 120.51 121.12 1kx7 n ALA 20 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1kx7 n ALA 20 Cb 0.55 -1.91 0.00 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 -0.50 0.36 3.75 0.00 0.00 -1.26 -5.00 105.19 102.54 1kx7 n GLY 21 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1kx7 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx7 n ALA 22 N 1.00 1.91 -1.79 4.61 0.00 0.40 -4.97 120.51 121.68 1kx7 n ALA 22 Ca 0.00 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 1kx7 n ALA 22 Cb 0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 1kx7 n ALA 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kx7 s PRO 23 N -2.37 3.68 0.67 0.00 0.04 -1.26 -4.40 135.00 131.35 1kx7 s PRO 23 Ca 0.60 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1kx7 s PRO 23 Cb -0.46 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1kx7 s PRO 23 CO 0.58 -0.54 1.03 1.63 0.04 0.00 0.00 177.00 179.73 1kx7 n LYS 24 N -1.07 0.75 -0.11 4.56 4.01 -1.26 -4.54 118.16 120.49 1kx7 n LYS 24 Ca 0.10 0.31 0.11 0.00 -0.51 0.00 0.00 58.31 58.32 1kx7 n LYS 24 Cb 0.52 -2.26 0.47 0.00 -0.51 0.00 0.00 35.03 33.25 1kx7 n LYS 24 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1kx7 h SER 25 N 0.14 0.44 -1.09 4.39 4.64 -1.57 -3.27 113.55 117.23 1kx7 h SER 25 Ca -0.48 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.48 1kx7 h SER 25 Cb 1.35 -0.08 -0.39 0.00 -0.31 0.00 0.00 62.40 62.97 1kx7 h SER 25 CO 0.49 0.26 -1.16 0.00 -0.87 0.00 0.00 176.83 175.56 1kx7 n HIS 26 N -4.48 0.82 -1.23 4.77 1.44 -1.26 -4.75 115.22 110.53 1kx7 n HIS 26 Ca 0.11 -2.89 -0.31 0.00 -2.01 0.00 0.00 57.72 52.62 1kx7 n HIS 26 Cb 0.36 -0.28 0.11 0.00 0.12 0.00 0.00 29.99 30.29 1kx7 n HIS 26 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1kx7 s ASN 27 N -2.92 4.15 -0.13 4.39 0.01 -1.24 -5.00 114.94 114.19 1kx7 s ASN 27 Ca 0.29 1.72 0.08 0.00 -0.71 0.00 0.00 52.86 54.24 1kx7 s ASN 27 Cb 0.44 -2.41 -0.14 0.00 0.41 0.00 0.00 41.25 39.55 1kx7 s ASN 27 CO 0.02 -2.25 -0.01 1.07 -1.51 0.00 0.00 177.10 174.42 1kx7 n THR 28 N -3.65 0.86 0.14 1.60 5.66 -1.26 -4.46 114.28 113.17 1kx7 n THR 28 Ca 0.08 -0.47 0.03 0.00 -3.05 0.00 0.00 64.05 60.64 1kx7 n THR 28 Cb 0.54 -0.78 0.03 0.00 -1.55 0.00 0.00 70.33 68.56 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 0.44 0.69 0.00 1.79 0.00 -2.00 0.25 119.26 120.43 1kx7 h ALA 29 Ca -0.34 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1kx7 h ALA 29 Cb 1.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1kx7 h ALA 29 CO -0.00 0.60 -0.25 -0.44 0.00 0.00 0.00 179.25 179.16 1kx7 h ASP 30 N 0.00 0.00 0.00 0.00 3.32 -1.98 -3.37 116.42 114.40 1kx7 h ASP 30 Ca -0.01 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 1kx7 h ASP 30 Cb 1.37 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.86 1kx7 h ASP 30 CO 0.06 0.01 -2.18 0.79 -1.72 0.00 0.00 179.24 176.20 1kx7 n TRP 31 N -2.84 0.00 -0.27 4.55 7.02 -1.12 -4.50 117.44 120.28 1kx7 n TRP 31 Ca 0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 1kx7 n TRP 31 Cb 0.52 -0.82 -0.05 0.00 -2.42 0.00 0.00 31.31 28.53 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 -0.16 0.00 -0.99 5.08 -0.66 0.12 114.58 117.97 1kx7 h GLU 32 Ca -0.46 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1kx7 h GLU 32 Cb 1.91 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1kx7 h GLU 32 CO -0.02 -0.11 0.00 -0.35 -1.00 0.00 0.00 179.01 177.54 1kx7 n PRO 33 N -5.38 0.61 -0.11 2.33 -0.04 -1.26 -2.87 135.00 128.29 1kx7 n PRO 33 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1kx7 n PRO 33 Cb 0.34 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.82 0.46 0.00 0.54 5.12 0.20 -4.36 116.66 117.79 1kx7 n ARG 34 Ca 0.09 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 1kx7 n ARG 34 Cb 0.04 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 -3.77 0.00 0.10 0.55 4.77 0.09 -1.06 117.00 117.68 1kx7 n LEU 35 Ca -0.41 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.65 1kx7 n LEU 35 Cb 0.81 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1kx7 n LEU 35 CO 0.06 0.00 0.08 0.00 -1.33 0.00 0.00 177.39 176.20 1kx7 h ALA 36 N 1.69 0.63 0.00 -1.18 0.00 -1.74 -3.41 119.26 115.25 1kx7 h ALA 36 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1kx7 h ALA 36 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kx7 h ALA 36 CO 0.00 0.34 -0.45 1.63 0.00 0.00 0.00 179.25 180.77 1kx7 n LYS 37 N -2.86 0.24 -3.39 0.00 5.02 -0.22 -5.15 118.16 111.80 1kx7 n LYS 37 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1kx7 n LYS 37 Cb 0.65 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 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 2.10 -0.67 0.13 0.72 0.00 -1.02 -5.01 105.19 101.44 1kx7 n GLY 38 Ca -0.06 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 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 9.00 1.43 0.44 1.61 0.24 -1.26 -4.55 118.33 125.24 1kx7 n VAL 39 Ca 0.00 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1kx7 n VAL 39 Cb 0.00 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 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 -3.40 0.01 -0.06 -1.34 9.92 -1.26 -1.74 116.55 118.68 1kx7 n ASP 40 Ca -0.46 -0.45 -0.09 0.00 -0.53 0.00 0.00 54.79 53.26 1kx7 n ASP 40 Cb 0.95 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.40 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 -0.46 1.64 0.12 -2.24 3.02 -1.26 -4.41 115.26 111.67 1kx7 n ASN 41 Ca 0.00 0.27 -0.02 0.00 -0.03 0.00 0.00 54.58 54.79 1kx7 n ASN 41 Cb 0.00 -0.61 0.15 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.71 0.07 -1.59 3.41 3.38 -1.67 -1.21 115.31 116.98 1kx7 h LEU 42 Ca -0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1kx7 h LEU 42 Cb 0.85 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1kx7 h LEU 42 CO -0.06 0.67 0.15 1.62 0.09 0.00 0.00 178.44 180.91 1kx7 h VAL 43 N 0.04 1.11 -0.32 1.22 3.04 -1.61 0.67 116.25 120.39 1kx7 h VAL 43 Ca -0.01 -0.30 -0.13 0.00 -1.01 0.00 0.00 66.70 65.25 1kx7 h VAL 43 Cb 1.12 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1kx7 h VAL 43 CO 0.09 0.12 -0.31 0.11 -1.01 0.00 0.00 177.57 176.56 1kx7 h LYS 44 N 0.42 0.79 -0.49 4.17 1.79 -1.44 -2.22 116.57 119.59 1kx7 h LYS 44 Ca 0.11 -0.41 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 1kx7 h LYS 44 Cb 0.05 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1kx7 h LYS 44 CO -0.02 1.04 0.14 0.77 -1.08 0.00 0.00 179.45 180.30 1kx7 h SER 45 N 0.56 0.67 0.10 0.86 0.02 -0.94 -2.36 113.55 112.45 1kx7 h SER 45 Ca 0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1kx7 h SER 45 Cb 0.89 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1kx7 h SER 45 CO 0.08 0.65 -0.05 0.58 -1.14 0.00 0.00 176.83 176.95 1kx7 h VAL 46 N 0.71 0.91 -0.36 2.27 2.07 -0.61 0.49 116.25 121.73 1kx7 h VAL 46 Ca 0.16 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1kx7 h VAL 46 Cb 0.24 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1kx7 h VAL 46 CO -0.01 0.01 0.23 0.07 0.02 0.00 0.00 177.57 177.90 1kx7 h LYS 47 N -0.17 0.48 -0.05 1.57 2.10 -1.28 -1.95 116.57 117.26 1kx7 h LYS 47 Ca -0.01 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1kx7 h LYS 47 Cb 0.13 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1kx7 h LYS 47 CO 0.02 0.32 -0.70 1.15 -2.00 0.00 0.00 179.45 178.25 1kx7 h THR 48 N 0.49 1.42 -1.94 0.07 2.02 -0.88 0.96 112.91 115.05 1kx7 h THR 48 Ca 0.13 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1kx7 h THR 48 Cb -0.04 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1kx7 h THR 48 CO -0.03 0.65 -0.14 0.61 0.37 0.00 0.00 175.52 176.98 1kx7 n GLY 49 N 0.49 -3.55 0.00 2.16 0.00 0.11 -4.22 105.19 100.18 1kx7 n GLY 49 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.26 0.00 0.12 0.99 7.94 -0.89 -4.77 117.00 120.65 1kx7 n LEU 50 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1kx7 n LEU 50 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1kx7 n LEU 50 CO 0.00 -0.20 0.20 0.78 -1.11 0.00 0.00 177.39 177.07 1kx7 h ASN 51 N 0.00 -0.30 1.43 1.96 2.35 -1.99 -3.30 115.58 115.74 1kx7 h ASN 51 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1kx7 h ASN 51 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1kx7 h ASN 51 CO 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 1kx7 h ALA 52 N -1.43 1.00 -2.81 -0.83 0.00 -1.97 -3.44 119.26 109.78 1kx7 h ALA 52 Ca -0.04 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.24 1kx7 h ALA 52 Cb 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 1kx7 h ALA 52 CO 0.06 0.00 -0.35 1.41 0.00 0.00 0.00 179.25 180.37 1kx7 s MET 53 N -3.43 4.00 0.68 0.00 0.00 -1.24 -5.07 119.30 114.23 1kx7 s MET 53 Ca 0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 55.69 55.49 1kx7 s MET 53 Cb 0.08 -3.65 0.01 0.00 0.00 0.00 0.00 34.83 31.27 1kx7 s MET 53 CO 0.59 -0.22 1.11 -1.25 0.00 0.00 0.00 175.02 175.25 1kx7 s PRO 54 N 1.89 2.69 -0.07 4.11 0.04 -1.26 -2.09 135.00 140.31 1kx7 s PRO 54 Ca 0.12 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1kx7 s PRO 54 Cb -0.16 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1kx7 s PRO 54 CO 0.10 -1.33 1.84 -1.25 0.04 0.00 0.00 177.00 176.40 1kx7 s PRO 55 N -4.20 3.96 0.00 0.56 0.04 -1.26 -1.93 135.00 132.17 1kx7 s PRO 55 Ca 0.66 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1kx7 s PRO 55 Cb -0.20 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1kx7 s PRO 55 CO 0.44 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1kx7 n GLY 56 N 4.60 1.41 5.00 0.56 0.00 0.33 -4.69 105.19 112.40 1kx7 n GLY 56 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.96 0.48 0.00 -0.02 0.00 -0.78 -0.81 105.19 103.10 1kx7 n GLY 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.08 1.61 1.56 -1.26 -4.20 117.12 114.91 1kx7 n MET 58 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.36 1kx7 n MET 58 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 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 -3.53 0.00 -1.09 0.00 -1.04 0.01 -4.63 114.28 103.99 1kx7 n THR 60 Ca -0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.76 1kx7 n THR 60 Cb 0.85 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.25 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 2.55 6.52 -4.33 8.00 2.03 -1.26 -4.87 116.55 125.19 1kx7 n ASP 61 Ca 0.00 -2.49 -0.35 0.00 0.52 0.00 0.00 54.79 52.47 1kx7 n ASP 61 Cb 0.00 -1.44 -0.14 0.00 -0.72 0.00 0.00 41.12 38.83 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 1.31 4.42 0.31 0.00 2.01 -1.26 -4.76 115.64 117.67 1kx7 s THR 63 Ca 0.04 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.56 1kx7 s THR 63 Cb -0.14 -3.65 0.31 0.00 0.01 0.00 0.00 72.50 69.02 1kx7 s THR 63 CO -0.02 -0.24 1.74 0.44 -0.69 0.00 0.00 174.62 175.85 1kx7 h ASP 64 N 2.13 0.68 -0.94 3.53 5.19 -1.99 0.28 116.42 125.29 1kx7 h ASP 64 Ca -0.49 0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.15 1kx7 h ASP 64 Cb 1.18 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.64 1kx7 h ASP 64 CO 0.62 0.14 0.60 1.05 -3.12 0.00 0.00 179.24 178.53 1kx7 h GLU 65 N 0.61 0.92 0.16 3.56 4.11 -1.99 0.13 114.58 122.09 1kx7 h GLU 65 Ca 0.62 -0.06 -0.33 0.00 0.07 0.00 0.00 59.36 59.66 1kx7 h GLU 65 Cb 1.13 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1kx7 h GLU 65 CO -0.46 0.61 -1.65 -0.44 0.07 0.00 0.00 179.01 177.14 1kx7 h ASP 66 N 0.95 0.55 0.43 3.06 3.32 -0.95 -3.05 116.42 120.73 1kx7 h ASP 66 Ca 0.44 -0.78 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1kx7 h ASP 66 Cb 0.40 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1kx7 h ASP 66 CO -0.20 1.65 -0.21 1.88 -1.72 0.00 0.00 179.24 180.64 1kx7 h TYR 67 N 0.10 -0.54 -0.08 4.55 0.05 -0.45 -1.78 116.97 118.82 1kx7 h TYR 67 Ca -0.30 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.46 1kx7 h TYR 67 Cb 2.07 0.18 -0.00 0.00 1.01 0.00 0.00 36.73 39.99 1kx7 h TYR 67 CO 0.09 -0.25 0.03 1.57 -1.05 0.00 0.00 178.16 178.54 1kx7 h LYS 68 N -0.75 0.12 -0.64 4.88 2.10 -0.92 -1.85 116.57 119.51 1kx7 h LYS 68 Ca -0.06 -0.03 0.16 0.00 -2.00 0.00 0.00 60.65 58.73 1kx7 h LYS 68 Cb 0.53 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.81 1kx7 h LYS 68 CO 0.10 0.28 0.45 0.00 -2.00 0.00 0.00 179.45 178.27 1kx7 h ALA 69 N 0.84 2.40 0.01 0.07 0.00 -1.58 0.39 119.26 121.39 1kx7 h ALA 69 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kx7 h ALA 69 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kx7 h ALA 69 CO -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 179.25 178.67 1kx7 h ALA 70 N 1.69 -0.01 -0.79 0.00 0.00 -0.52 0.24 119.26 119.87 1kx7 h ALA 70 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kx7 h ALA 70 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1kx7 h ALA 70 CO -0.04 -0.29 0.50 0.82 0.00 0.00 0.00 179.25 180.23 1kx7 h ILE 71 N -0.44 1.22 -0.42 0.00 2.04 -0.72 -2.66 117.51 116.52 1kx7 h ILE 71 Ca -0.00 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1kx7 h ILE 71 Cb 0.43 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1kx7 h ILE 71 CO 0.00 0.22 0.05 -0.33 0.00 0.00 0.00 178.15 178.09 1kx7 h GLU 72 N 1.08 0.71 -0.77 2.37 5.08 -0.25 -0.36 114.58 122.43 1kx7 h GLU 72 Ca 0.29 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1kx7 h GLU 72 Cb -0.07 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1kx7 h GLU 72 CO -0.06 0.75 0.51 0.35 -1.00 0.00 0.00 179.01 179.56 1kx7 h PHE 73 N 0.56 0.69 0.00 4.33 3.57 -0.27 -3.23 116.94 122.59 1kx7 h PHE 73 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1kx7 h PHE 73 Cb 0.40 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1kx7 h PHE 73 CO 0.03 0.31 0.00 -1.33 -2.23 0.00 0.00 178.31 175.09 1kx7 n MET 74 N -4.50 0.00 -2.29 1.11 2.81 -1.03 -4.89 117.12 108.33 1kx7 n MET 74 Ca 0.14 0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 56.06 1kx7 n MET 74 Cb 0.38 -0.64 0.06 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.65 -0.19 -4.13 7.83 2.88 -1.04 -4.92 113.62 113.39 1kx7 n SER 75 Ca 0.00 -2.10 -0.44 0.00 -1.33 0.00 0.00 58.87 55.00 1kx7 n SER 75 Cb 0.00 0.16 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.76 -0.34 0.00 -1.46 2.85 -0.17 -4.74 118.16 113.54 1kx7 n LYS 76 Ca -0.09 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1kx7 n LYS 76 Cb 0.86 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 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 -4.96 0.60 0.08 0.58 0.00 -1.25 -4.64 120.51 110.92 1kx7 n ALA 77 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1kx7 n ALA 77 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86