#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 -1.01 -0.91 0.00 1.11 -1.26 -5.07 116.67 109.53 1kx7 s ASP -2 Ca 0.00 1.53 -0.07 0.00 0.18 0.00 0.00 52.55 54.20 1kx7 s ASP -2 Cb 0.00 1.70 -0.10 0.00 1.07 0.00 0.00 42.92 45.59 1kx7 s ASP -2 CO 0.00 -0.23 2.51 0.00 1.18 0.00 0.00 175.17 178.63 1kx7 n LEU -1 N 4.71 5.78 -0.02 1.23 -0.00 -1.26 -4.42 117.00 123.02 1kx7 n LEU -1 Ca -0.17 -3.21 0.07 0.00 -0.00 0.00 0.00 56.01 52.69 1kx7 n LEU -1 Cb 0.55 -1.21 -0.15 0.00 -0.00 0.00 0.00 43.42 42.61 1kx7 n LEU -1 CO -0.03 1.15 -0.78 1.67 -0.00 0.00 0.00 177.39 179.40 1kx7 n GLN 1 N 3.65 0.66 -0.77 1.47 -0.06 -1.26 -4.98 117.38 116.09 1kx7 n GLN 1 Ca 0.51 -0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 1kx7 n GLN 1 Cb 0.29 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 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 -2.25 0.00 -0.08 1.69 2.03 -1.26 -5.10 116.55 111.59 1kx7 n ASP 2 Ca -0.07 -0.42 -0.13 0.00 0.52 0.00 0.00 54.79 54.69 1kx7 n ASP 2 Cb 0.59 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 n ALA 3 N -3.00 1.81 -0.05 -1.67 0.00 -1.26 -4.44 120.51 111.90 1kx7 n ALA 3 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 1kx7 n ALA 3 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.24 0.21 0.00 0.00 4.81 -1.92 -1.52 114.58 115.91 1kx7 h GLU 4 Ca -0.36 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1kx7 h GLU 4 Cb 1.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1kx7 h GLU 4 CO -0.13 0.14 -0.28 0.00 -0.73 0.00 0.00 179.01 178.01 1kx7 h ALA 5 N 1.12 1.40 0.09 2.92 0.00 -1.93 0.17 119.26 123.03 1kx7 h ALA 5 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kx7 h ALA 5 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kx7 h ALA 5 CO -0.07 0.35 -0.04 0.82 0.00 0.00 0.00 179.25 180.30 1kx7 h ILE 6 N 0.00 1.14 -0.39 0.00 5.03 -1.65 0.12 117.51 121.76 1kx7 h ILE 6 Ca -0.00 -0.98 -0.11 0.00 -0.12 0.00 0.00 64.86 63.64 1kx7 h ILE 6 Cb 0.54 1.76 -0.01 0.00 -3.03 0.00 0.00 36.82 36.08 1kx7 h ILE 6 CO 0.04 0.24 -0.19 0.10 -0.68 0.00 0.00 178.15 177.66 1kx7 h TYR 7 N -0.58 0.93 0.00 1.37 -0.00 -0.96 -0.52 116.97 117.20 1kx7 h TYR 7 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 58.73 58.47 1kx7 h TYR 7 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 36.99 1kx7 h TYR 7 CO 0.07 0.98 -0.08 -0.97 -0.00 0.00 0.00 178.16 178.16 1kx7 h ASN 8 N 0.61 0.00 0.37 0.10 -1.24 -0.66 0.28 115.58 115.05 1kx7 h ASN 8 Ca 0.09 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.83 1kx7 h ASN 8 Cb 0.74 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.74 1kx7 h ASN 8 CO 0.06 0.08 -1.85 2.29 -1.29 0.00 0.00 177.43 176.72 1kx7 n LYS 9 N -3.29 0.65 -0.01 6.67 -0.00 0.41 -4.69 118.16 117.89 1kx7 n LYS 9 Ca -0.01 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.45 1kx7 n LYS 9 Cb 0.29 -1.70 -0.00 0.00 -0.00 0.00 0.00 35.03 33.61 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 1.00 -0.51 0.58 0.00 -0.21 -4.66 120.51 114.16 1kx7 n ALA 10 Ca -0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1kx7 n ALA 10 Cb 1.01 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.45 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 1.76 0.00 -0.05 0.00 5.66 -1.17 -4.01 114.28 116.46 1kx7 n THR 12 Ca 0.07 -0.29 -0.20 0.00 -3.05 0.00 0.00 64.05 60.58 1kx7 n THR 12 Cb 0.49 1.12 -0.13 0.00 -1.55 0.00 0.00 70.33 70.26 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 -0.41 1.66 -0.06 1.08 0.31 -1.24 -4.38 118.33 115.28 1kx7 n VAL 13 Ca 0.00 -0.62 -0.12 0.00 -0.01 0.00 0.00 64.34 63.59 1kx7 n VAL 13 Cb 0.03 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.65 0.00 0.12 0.00 3.86 -1.79 0.52 115.15 117.21 1kx7 h HIS 15 Ca -0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1kx7 h HIS 15 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1kx7 h HIS 15 CO -0.19 0.00 -0.06 0.77 0.86 0.00 0.00 177.93 179.32 1kx7 h SER 16 N 0.00 -0.14 0.04 2.45 0.02 -1.77 -0.73 113.55 113.43 1kx7 h SER 16 Ca 0.00 -0.22 -0.37 0.00 -0.84 0.00 0.00 61.79 60.35 1kx7 h SER 16 Cb 0.75 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 1kx7 h SER 16 CO 0.00 0.15 -2.35 0.80 -1.14 0.00 0.00 176.83 174.29 1kx7 n MET 17 N -5.04 0.67 -0.15 3.45 0.00 -1.22 -4.74 117.12 110.09 1kx7 n MET 17 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1kx7 n MET 17 Cb 0.19 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 31.86 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 1.95 0.82 3.91 -5.12 0.00 0.16 -5.04 105.19 101.87 1kx7 n GLY 18 Ca -0.37 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.89 5.13 -1.87 1.61 1.01 0.13 -4.30 120.40 120.21 1kx7 s VAL 19 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1kx7 s VAL 19 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1kx7 s VAL 19 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 175.10 174.92 1kx7 n ALA 20 N -0.61 -0.31 -1.29 5.51 0.00 -1.26 -0.50 120.51 122.05 1kx7 n ALA 20 Ca -0.03 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 1kx7 n ALA 20 Cb 0.53 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.38 0.49 3.77 0.00 0.00 -1.26 -4.98 105.19 102.82 1kx7 n GLY 21 Ca -0.18 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.09 3.22 0.43 4.61 0.00 0.34 -5.01 121.76 123.26 1kx7 s ALA 22 Ca 0.00 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.81 1kx7 s ALA 22 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1kx7 s ALA 22 CO 0.00 -0.63 1.07 -1.25 0.00 0.00 0.00 175.76 174.95 1kx7 s PRO 23 N -2.21 4.01 0.18 0.00 0.04 -1.26 -4.52 135.00 131.24 1kx7 s PRO 23 Ca 0.56 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1kx7 s PRO 23 Cb -0.34 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.71 1kx7 s PRO 23 CO 0.43 -0.28 1.13 0.21 0.04 0.00 0.00 177.00 178.54 1kx7 s LYS 24 N -2.70 4.55 0.46 4.56 2.20 -1.26 -4.51 119.74 123.04 1kx7 s LYS 24 Ca 0.61 1.77 0.28 0.00 -0.36 0.00 0.00 55.97 58.27 1kx7 s LYS 24 Cb -0.22 -3.27 1.34 0.00 -1.51 0.00 0.00 37.83 34.18 1kx7 s LYS 24 CO 0.27 0.01 1.74 1.03 -0.36 0.00 0.00 175.35 178.04 1kx7 h SER 25 N 5.18 0.25 -3.52 1.43 0.87 -1.41 -3.19 113.55 113.16 1kx7 h SER 25 Ca -0.44 0.07 -0.62 0.00 -1.23 0.00 0.00 61.79 59.56 1kx7 h SER 25 Cb 1.21 0.03 -0.39 0.00 -0.44 0.00 0.00 62.40 62.81 1kx7 h SER 25 CO 0.73 -0.01 -0.75 -1.38 -0.53 0.00 0.00 176.83 174.89 1kx7 s HIS 26 N -5.26 2.71 0.08 2.24 0.00 -1.26 -4.85 115.29 108.95 1kx7 s HIS 26 Ca -0.07 -2.21 -0.02 0.00 -3.00 0.00 0.00 55.06 49.75 1kx7 s HIS 26 Cb 0.26 -2.11 -0.03 0.00 -4.00 0.00 0.00 32.58 26.70 1kx7 s HIS 26 CO 0.81 -0.87 0.04 -0.80 -1.00 0.00 0.00 174.74 172.92 1kx7 s ASN 27 N 1.28 0.37 -0.12 7.38 0.01 -1.21 -5.08 114.94 117.57 1kx7 s ASN 27 Ca 0.05 -1.01 0.05 0.00 -0.71 0.00 0.00 52.86 51.23 1kx7 s ASN 27 Cb -0.18 0.26 -0.10 0.00 0.41 0.00 0.00 41.25 41.63 1kx7 s ASN 27 CO -0.12 -0.67 -0.05 0.41 -1.51 0.00 0.00 177.10 175.16 1kx7 n THR 28 N 0.01 0.73 0.77 1.60 -1.04 -1.26 -4.43 114.28 110.66 1kx7 n THR 28 Ca -0.11 -0.35 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1kx7 n THR 28 Cb 0.62 -0.86 0.26 0.00 -1.82 0.00 0.00 70.33 68.53 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx7 n ALA 29 N -2.66 3.03 0.05 2.41 0.00 -1.26 -0.61 120.51 121.47 1kx7 n ALA 29 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1kx7 n ALA 29 Cb 0.78 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 1kx7 n ALA 29 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kx7 h ASP 30 N 0.00 0.00 0.10 0.00 1.82 -1.97 -3.38 116.42 112.99 1kx7 h ASP 30 Ca 0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.28 1kx7 h ASP 30 Cb 0.63 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.58 1kx7 h ASP 30 CO 0.00 0.58 -2.24 0.79 -1.61 0.00 0.00 179.24 176.76 1kx7 n TRP 31 N -2.94 0.39 -0.24 0.28 7.02 -1.19 -4.42 117.44 116.34 1kx7 n TRP 31 Ca -0.08 0.11 -0.03 0.00 -1.02 0.00 0.00 57.50 56.48 1kx7 n TRP 31 Cb 0.83 -1.06 0.04 0.00 -2.42 0.00 0.00 31.31 28.70 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 0.01 -0.09 -0.46 -0.99 4.22 -1.05 -0.59 114.58 115.64 1kx7 h GLU 32 Ca -0.49 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1kx7 h GLU 32 Cb 2.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1kx7 h GLU 32 CO 0.01 -0.06 0.00 -0.35 -2.18 0.00 0.00 179.01 176.43 1kx7 n PRO 33 N -5.46 0.74 0.00 0.92 -0.04 -1.26 -2.64 135.00 127.27 1kx7 n PRO 33 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1kx7 n PRO 33 Cb 0.37 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.11 0.00 0.00 0.54 5.12 -0.46 -4.63 116.66 117.12 1kx7 n ARG 34 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1kx7 n ARG 34 Cb 0.11 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 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 -2.68 0.00 0.10 0.55 4.77 -0.36 -1.37 117.00 118.02 1kx7 n LEU 35 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1kx7 n LEU 35 Cb 0.45 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1kx7 n LEU 35 CO 0.00 0.00 0.26 0.00 -1.33 0.00 0.00 177.39 176.32 1kx7 h ALA 36 N 1.85 0.56 0.00 -1.18 0.00 -1.78 -3.36 119.26 115.34 1kx7 h ALA 36 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1kx7 h ALA 36 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1kx7 h ALA 36 CO 0.00 0.91 -0.76 1.63 0.00 0.00 0.00 179.25 181.03 1kx7 n LYS 37 N -3.24 0.49 0.00 0.00 4.76 -0.47 -5.12 118.16 114.57 1kx7 n LYS 37 Ca -0.00 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1kx7 n LYS 37 Cb 0.83 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kx7 n GLY 38 N 1.56 0.10 3.47 0.72 0.00 -1.18 -5.07 105.19 104.78 1kx7 n GLY 38 Ca -0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 0.85 0.00 1.61 -7.23 -1.26 -3.97 120.40 110.40 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 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1kx7 s VAL 39 CO 0.00 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.26 1kx7 n ASP 40 N -0.96 0.00 0.25 4.85 8.00 -1.26 -4.70 116.55 122.74 1kx7 n ASP 40 Ca -0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.56 1kx7 n ASP 40 Cb 0.66 -0.07 0.67 0.00 -0.02 0.00 0.00 41.12 42.36 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1kx7 h ASN 41 N 0.00 0.00 0.01 -2.24 2.35 -1.89 -2.05 115.58 111.76 1kx7 h ASN 41 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1kx7 h ASN 41 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1kx7 h ASN 41 CO 0.00 0.13 -2.44 0.18 -1.65 0.00 0.00 177.43 173.64 1kx7 n LEU 42 N -3.93 2.53 -0.15 1.61 7.99 -1.26 -4.14 117.00 119.65 1kx7 n LEU 42 Ca -0.02 -0.10 0.15 0.00 -0.01 0.00 0.00 56.01 56.03 1kx7 n LEU 42 Cb 0.22 -0.71 0.51 0.00 -0.11 0.00 0.00 43.42 43.33 1kx7 n LEU 42 CO 0.32 0.87 1.21 1.62 -1.51 0.00 0.00 177.39 179.90 1kx7 h VAL 43 N 0.00 0.80 -0.34 4.08 3.04 -1.85 0.19 116.25 122.17 1kx7 h VAL 43 Ca -0.57 -0.14 0.01 0.00 -1.01 0.00 0.00 66.70 65.00 1kx7 h VAL 43 Cb 1.96 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 1kx7 h VAL 43 CO -0.06 0.07 0.19 0.07 -1.01 0.00 0.00 177.57 176.83 1kx7 h LYS 44 N 0.40 0.39 0.00 4.17 2.10 -1.55 -0.95 116.57 121.12 1kx7 h LYS 44 Ca 0.36 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.91 1kx7 h LYS 44 Cb 0.83 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1kx7 h LYS 44 CO -0.11 0.26 -0.36 0.77 -2.00 0.00 0.00 179.45 178.01 1kx7 h SER 45 N 0.40 0.00 0.41 7.07 0.02 -0.89 0.15 113.55 120.71 1kx7 h SER 45 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1kx7 h SER 45 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1kx7 h SER 45 CO -0.07 0.36 -0.20 0.58 -1.14 0.00 0.00 176.83 176.37 1kx7 h VAL 46 N 0.00 0.60 -0.37 2.27 2.07 -0.72 0.11 116.25 120.21 1kx7 h VAL 46 Ca -0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1kx7 h VAL 46 Cb 0.70 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1kx7 h VAL 46 CO 0.05 0.00 0.21 0.07 0.02 0.00 0.00 177.57 177.92 1kx7 h LYS 47 N -0.56 0.50 -0.10 1.57 2.10 -0.77 0.82 116.57 120.13 1kx7 h LYS 47 Ca -0.06 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.37 1kx7 h LYS 47 Cb 0.43 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1kx7 h LYS 47 CO 0.09 0.37 -0.70 0.00 -2.00 0.00 0.00 179.45 177.21 1kx7 h THR 48 N 0.51 1.36 -1.92 0.07 1.03 -0.75 -0.03 112.91 113.19 1kx7 h THR 48 Ca 0.13 -2.07 0.00 0.00 -0.01 0.00 0.00 66.41 64.47 1kx7 h THR 48 Cb 0.01 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1kx7 h THR 48 CO -0.02 0.63 -0.06 0.61 -0.01 0.00 0.00 175.52 176.66 1kx7 n GLY 49 N 0.50 -3.20 0.00 2.99 0.00 0.01 -4.29 105.19 101.19 1kx7 n GLY 49 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.12 0.00 0.05 0.99 7.94 -0.69 -4.76 117.00 120.65 1kx7 n LEU 50 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1kx7 n LEU 50 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1kx7 n LEU 50 CO 0.00 -0.07 0.18 0.78 -1.11 0.00 0.00 177.39 177.17 1kx7 h ASN 51 N 0.00 -0.14 1.10 1.96 2.35 -1.98 -3.30 115.58 115.57 1kx7 h ASN 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kx7 h ASN 51 Cb 0.00 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1kx7 h ASN 51 CO 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1kx7 h ALA 52 N -1.70 1.00 -2.84 -0.83 0.00 -1.95 -3.44 119.26 109.49 1kx7 h ALA 52 Ca -0.02 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1kx7 h ALA 52 Cb 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.73 1kx7 h ALA 52 CO 0.03 0.00 -0.52 1.41 0.00 0.00 0.00 179.25 180.17 1kx7 s MET 53 N -3.34 3.72 0.65 0.00 0.00 -1.24 -5.08 119.30 114.01 1kx7 s MET 53 Ca 0.05 -0.47 -0.16 0.00 0.00 0.00 0.00 55.69 55.11 1kx7 s MET 53 Cb 0.09 -3.68 -0.00 0.00 0.00 0.00 0.00 34.83 31.24 1kx7 s MET 53 CO 0.50 -0.29 1.12 -1.25 0.00 0.00 0.00 175.02 175.10 1kx7 s PRO 54 N 1.73 2.80 0.11 4.11 0.04 -1.26 -1.70 135.00 140.83 1kx7 s PRO 54 Ca 0.06 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 1kx7 s PRO 54 Cb -0.16 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1kx7 s PRO 54 CO 0.10 -1.26 1.85 -0.35 0.04 0.00 0.00 177.00 177.38 1kx7 n PRO 55 N -2.31 2.79 -2.13 0.56 -0.04 -1.26 -2.12 135.00 130.49 1kx7 n PRO 55 Ca 0.11 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1kx7 n PRO 55 Cb 0.52 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.26 0.81 3.04 0.55 0.00 -0.03 -4.48 105.19 109.33 1kx7 n GLY 56 Ca 0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.59 0.00 5.00 -0.02 0.00 0.19 -0.43 105.19 109.34 1kx7 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.83 0.00 -2.55 1.61 1.56 -1.25 -4.63 117.12 111.03 1kx7 n MET 58 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 1kx7 n MET 58 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 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 6.52 0.78 0.00 0.00 1.35 -1.77 -3.20 112.91 116.60 1kx7 h THR 60 Ca 0.26 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.47 1kx7 h THR 60 Cb 0.98 0.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1kx7 h THR 60 CO 1.43 0.00 3.42 0.47 -0.25 0.00 0.00 175.52 180.59 1kx7 n ASP 61 N -5.21 6.62 -3.90 5.36 8.00 -1.26 -4.82 116.55 121.34 1kx7 n ASP 61 Ca -0.02 -2.62 -0.25 0.00 0.71 0.00 0.00 54.79 52.61 1kx7 n ASP 61 Cb 0.13 -1.50 -0.17 0.00 -0.02 0.00 0.00 41.12 39.56 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kx7 s THR 63 N 1.49 4.86 0.39 0.00 2.01 -1.26 -4.86 115.64 118.27 1kx7 s THR 63 Ca -0.00 0.97 0.22 0.00 0.31 0.00 0.00 61.69 63.19 1kx7 s THR 63 Cb -0.13 -3.79 0.40 0.00 0.01 0.00 0.00 72.50 68.99 1kx7 s THR 63 CO -0.05 0.46 1.64 0.44 -0.69 0.00 0.00 174.62 176.42 1kx7 h ASP 64 N 4.25 0.37 -0.27 3.53 3.32 -2.01 0.22 116.42 125.83 1kx7 h ASP 64 Ca -0.50 0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.78 1kx7 h ASP 64 Cb 1.21 0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.83 1kx7 h ASP 64 CO 0.64 -0.20 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.14 1kx7 h GLU 65 N 0.17 -0.44 -0.08 3.56 4.39 -1.99 0.26 114.58 120.45 1kx7 h GLU 65 Ca 0.78 0.03 -0.22 0.00 0.34 0.00 0.00 59.36 60.29 1kx7 h GLU 65 Cb 2.13 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 30.89 1kx7 h GLU 65 CO -0.55 -0.29 -0.82 -0.44 -1.16 0.00 0.00 179.01 175.75 1kx7 h ASP 66 N -0.46 0.86 0.47 1.42 5.19 -1.16 -2.89 116.42 119.86 1kx7 h ASP 66 Ca 0.08 -0.68 -0.01 0.00 -0.62 0.00 0.00 57.03 55.80 1kx7 h ASP 66 Cb 0.63 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1kx7 h ASP 66 CO -0.50 1.41 -0.37 1.88 -3.12 0.00 0.00 179.24 178.54 1kx7 h TYR 67 N 0.38 -0.99 -0.04 4.55 0.05 -0.59 0.60 116.97 120.93 1kx7 h TYR 67 Ca -0.08 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.72 1kx7 h TYR 67 Cb 1.47 0.37 -0.03 0.00 1.01 0.00 0.00 36.73 39.55 1kx7 h TYR 67 CO 0.10 -0.54 -0.11 1.57 -1.05 0.00 0.00 178.16 178.13 1kx7 h LYS 68 N -0.83 -0.17 -0.79 4.88 2.10 -0.58 0.39 116.57 121.58 1kx7 h LYS 68 Ca -0.05 0.01 0.17 0.00 -2.00 0.00 0.00 60.65 58.79 1kx7 h LYS 68 Cb 0.71 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 32.03 1kx7 h LYS 68 CO -0.00 -0.11 0.53 0.00 -2.00 0.00 0.00 179.45 177.87 1kx7 h ALA 69 N 0.83 2.23 0.03 0.07 0.00 -1.44 0.20 119.26 121.18 1kx7 h ALA 69 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1kx7 h ALA 69 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kx7 h ALA 69 CO -0.14 -0.46 -1.00 0.00 0.00 0.00 0.00 179.25 177.65 1kx7 h ALA 70 N 1.64 0.37 0.00 0.00 0.00 0.21 -0.20 119.26 121.28 1kx7 h ALA 70 Ca 0.39 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1kx7 h ALA 70 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1kx7 h ALA 70 CO -0.12 1.08 -0.00 0.97 0.00 0.00 0.00 179.25 181.18 1kx7 h ILE 71 N 0.04 1.68 -0.70 0.00 -0.00 -0.31 -3.32 117.51 114.91 1kx7 h ILE 71 Ca -0.04 -2.16 0.18 0.00 -0.00 0.00 0.00 64.86 62.83 1kx7 h ILE 71 Cb 1.71 3.12 -0.04 0.00 -0.00 0.00 0.00 36.82 41.61 1kx7 h ILE 71 CO 0.14 0.55 0.48 -0.33 -0.00 0.00 0.00 178.15 179.00 1kx7 h GLU 72 N -0.94 0.16 -0.10 2.19 5.08 -0.66 -1.86 114.58 118.44 1kx7 h GLU 72 Ca -0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1kx7 h GLU 72 Cb 0.90 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1kx7 h GLU 72 CO 0.00 0.10 -0.46 0.35 -1.00 0.00 0.00 179.01 178.00 1kx7 h PHE 73 N 0.16 -1.34 0.57 4.33 3.04 -1.12 -3.05 116.94 119.53 1kx7 h PHE 73 Ca 0.34 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 1kx7 h PHE 73 Cb 1.10 0.60 0.01 0.00 2.56 0.00 0.00 35.95 40.22 1kx7 h PHE 73 CO -0.00 -0.51 -0.27 0.52 -2.02 0.00 0.00 178.31 176.03 1kx7 h MET 74 N -0.54 -0.74 -1.10 1.11 2.86 -1.50 -3.47 114.93 111.55 1kx7 h MET 74 Ca 0.06 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 57.94 1kx7 h MET 74 Cb 0.66 0.17 -0.32 0.00 0.06 0.00 0.00 31.60 32.17 1kx7 h MET 74 CO -0.40 -0.43 0.68 0.45 1.06 0.00 0.00 176.91 178.27 1kx7 s SER 75 N -4.64 -0.14 -0.20 1.22 0.15 -0.85 -5.03 113.70 104.20 1kx7 s SER 75 Ca -0.15 0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.59 1kx7 s SER 75 Cb 0.02 1.06 -0.15 0.00 -1.71 0.00 0.00 66.02 65.25 1kx7 s SER 75 CO 0.53 -0.03 1.20 2.29 1.20 0.00 0.00 173.24 178.43 1kx7 n LYS 76 N 3.27 0.02 0.09 5.44 0.00 -1.22 -3.40 118.16 122.36 1kx7 n LYS 76 Ca -0.17 -0.58 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 1kx7 n LYS 76 Cb 0.56 -1.95 0.00 0.00 -0.00 0.00 0.00 35.03 33.64 1kx7 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kx7 n ALA 77 N 8.30 0.00 -1.37 0.58 0.00 -1.25 -4.57 120.51 122.19 1kx7 n ALA 77 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1kx7 n ALA 77 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86