#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 n ASP -2 N 0.00 -1.97 -2.39 0.00 5.68 -1.26 -4.98 116.55 111.63 1kx7 n ASP -2 Ca 0.00 -2.89 -0.12 0.00 -0.50 0.00 0.00 54.79 51.28 1kx7 n ASP -2 Cb 0.00 1.45 0.04 0.00 -1.14 0.00 0.00 41.12 41.47 1kx7 n ASP -2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kx7 n LEU -1 N -0.03 3.27 -0.04 -2.12 -0.00 -1.26 -4.46 117.00 112.36 1kx7 n LEU -1 Ca -0.01 -3.89 0.03 0.00 -0.00 0.00 0.00 56.01 52.13 1kx7 n LEU -1 Cb 0.75 0.05 -0.16 0.00 -0.00 0.00 0.00 43.42 44.07 1kx7 n LEU -1 CO -0.03 1.57 -0.85 0.00 -0.00 0.00 0.00 177.39 178.08 1kx7 n GLN 1 N -0.65 0.67 -3.74 1.47 1.13 -1.26 -4.88 117.38 110.11 1kx7 n GLN 1 Ca 0.26 -0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 55.08 1kx7 n GLN 1 Cb 0.89 -1.55 -0.15 0.00 0.11 0.00 0.00 30.24 29.54 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1kx7 s ASP 2 N -4.97 0.03 0.33 1.08 -1.08 -1.26 -5.04 116.67 105.76 1kx7 s ASP 2 Ca -0.08 0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.29 1kx7 s ASP 2 Cb 0.11 0.16 0.78 0.00 -1.46 0.00 0.00 42.92 42.51 1kx7 s ASP 2 CO 0.87 -0.16 1.83 0.00 0.52 0.00 0.00 175.17 178.23 1kx7 h ALA 3 N 7.39 1.78 -0.28 3.66 0.00 -1.90 0.26 119.26 130.18 1kx7 h ALA 3 Ca -0.40 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1kx7 h ALA 3 Cb 1.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1kx7 h ALA 3 CO 0.40 -0.07 0.05 1.49 0.00 0.00 0.00 179.25 181.11 1kx7 h GLU 4 N 0.73 0.14 -0.08 0.00 4.81 -1.93 -1.27 114.58 116.98 1kx7 h GLU 4 Ca 0.51 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1kx7 h GLU 4 Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1kx7 h GLU 4 CO -0.27 0.10 -0.47 0.00 -0.73 0.00 0.00 179.01 177.63 1kx7 h ALA 5 N 1.21 1.04 0.23 2.92 0.00 -1.38 0.16 119.26 123.45 1kx7 h ALA 5 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kx7 h ALA 5 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kx7 h ALA 5 CO -0.18 0.63 -0.11 0.82 0.00 0.00 0.00 179.25 180.42 1kx7 h ILE 6 N 0.17 0.84 -0.31 0.00 2.04 -0.37 0.15 117.51 120.03 1kx7 h ILE 6 Ca 0.01 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1kx7 h ILE 6 Cb 0.90 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1kx7 h ILE 6 CO 0.07 0.10 -0.26 0.10 0.00 0.00 0.00 178.15 178.17 1kx7 h TYR 7 N -0.55 0.86 0.00 1.37 -0.00 -1.02 0.11 116.97 117.73 1kx7 h TYR 7 Ca -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 58.73 58.41 1kx7 h TYR 7 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 36.94 1kx7 h TYR 7 CO 0.00 0.99 -0.21 -0.97 -0.00 0.00 0.00 178.16 177.97 1kx7 h ASN 8 N 0.48 0.00 0.54 0.10 -1.24 -0.69 0.35 115.58 115.12 1kx7 h ASN 8 Ca 0.06 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.82 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.83 1kx7 h ASN 8 CO 0.07 0.21 -1.61 0.50 -1.29 0.00 0.00 177.43 175.31 1kx7 h LYS 9 N 0.00 0.04 0.00 6.67 3.11 -0.62 -3.43 116.57 122.34 1kx7 h LYS 9 Ca -0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1kx7 h LYS 9 Cb 0.69 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1kx7 h LYS 9 CO 0.03 0.68 -0.16 0.00 -2.81 0.00 0.00 179.45 177.19 1kx7 n ALA 10 N -2.57 0.50 -0.50 5.00 0.00 0.36 -4.64 120.51 118.66 1kx7 n ALA 10 Ca -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 1kx7 n ALA 10 Cb 1.03 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.48 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 1.67 0.00 -0.11 0.00 5.66 -1.22 -3.88 114.28 116.40 1kx7 n THR 12 Ca 0.04 -0.39 -0.21 0.00 -3.05 0.00 0.00 64.05 60.44 1kx7 n THR 12 Cb 0.49 0.99 -0.10 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.81 1.52 -0.09 1.08 0.31 -1.24 -4.37 118.33 114.73 1kx7 n VAL 13 Ca 0.00 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 1kx7 n VAL 13 Cb 0.00 -2.06 -0.05 0.00 -0.91 0.00 0.00 33.84 30.83 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 -0.82 0.00 3.86 -1.81 0.38 115.15 115.77 1kx7 h HIS 15 Ca -0.15 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1kx7 h HIS 15 Cb 0.96 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.39 1kx7 h HIS 15 CO -0.23 0.26 0.39 1.03 0.86 0.00 0.00 177.93 180.24 1kx7 h SER 16 N 0.00 1.07 0.00 2.45 0.87 -1.76 -1.02 113.55 115.16 1kx7 h SER 16 Ca -0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1kx7 h SER 16 Cb 0.86 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1kx7 h SER 16 CO 0.03 0.91 -1.09 0.80 -0.53 0.00 0.00 176.83 176.96 1kx7 n MET 17 N -4.33 2.86 -0.79 2.24 0.00 -1.23 -4.59 117.12 111.28 1kx7 n MET 17 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1kx7 n MET 17 Cb 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.33 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 3.05 0.87 0.06 -5.12 0.00 0.13 -4.99 105.19 99.19 1kx7 n GLY 18 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 0.41 -0.10 1.61 2.07 -1.79 -3.35 116.25 115.10 1kx7 h VAL 19 Ca 0.00 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 1kx7 h VAL 19 Cb 0.51 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1kx7 h VAL 19 CO 0.00 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.80 1kx7 n ALA 20 N -2.93 2.99 -2.01 1.67 0.00 -1.26 -4.70 120.51 114.27 1kx7 n ALA 20 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 1kx7 n ALA 20 Cb 0.18 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 0.44 0.53 3.77 0.00 0.00 -1.25 -5.00 105.19 103.69 1kx7 n GLY 21 Ca 0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.83 2.83 0.30 4.61 0.00 -1.26 -4.99 121.76 120.42 1kx7 s ALA 22 Ca 0.00 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 1kx7 s ALA 22 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1kx7 s ALA 22 CO 0.00 -0.71 1.00 -1.25 0.00 0.00 0.00 175.76 174.80 1kx7 s PRO 23 N -2.99 4.59 0.13 0.00 0.04 -1.26 -4.31 135.00 131.20 1kx7 s PRO 23 Ca 0.68 1.53 -0.35 0.00 0.04 0.00 0.00 61.00 62.90 1kx7 s PRO 23 Cb -0.26 -2.98 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 1kx7 s PRO 23 CO 0.31 0.25 1.47 1.63 0.04 0.00 0.00 177.00 180.69 1kx7 n LYS 24 N 0.85 1.73 0.00 4.56 4.76 -1.26 -4.56 118.16 124.24 1kx7 n LYS 24 Ca 0.01 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1kx7 n LYS 24 Cb 0.48 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 1kx7 n LYS 24 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1kx7 n SER 25 N 3.01 0.00 -3.57 4.39 7.64 -0.39 -3.93 113.62 120.77 1kx7 n SER 25 Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.90 1kx7 n SER 25 Cb 0.25 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.32 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1kx7 s HIS 26 N -1.90 -0.37 0.20 1.43 -3.43 -1.26 -4.87 115.29 105.09 1kx7 s HIS 26 Ca 0.00 0.62 0.02 0.00 -0.80 0.00 0.00 55.06 54.90 1kx7 s HIS 26 Cb 0.00 -0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 30.95 1kx7 s HIS 26 CO 0.00 -0.48 0.22 0.27 -2.00 0.00 0.00 174.74 172.76 1kx7 n ASN 27 N 5.34 -0.59 -0.09 7.38 0.23 -1.25 -5.06 115.26 121.22 1kx7 n ASN 27 Ca -0.05 -2.22 -0.09 0.00 -0.53 0.00 0.00 54.58 51.69 1kx7 n ASN 27 Cb 0.50 1.22 -0.14 0.00 -2.08 0.00 0.00 39.78 39.28 1kx7 n ASN 27 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1kx7 n THR 28 N -0.36 1.18 0.16 5.53 5.66 -1.26 -4.37 114.28 120.83 1kx7 n THR 28 Ca 0.03 -0.73 -0.14 0.00 -3.05 0.00 0.00 64.05 60.15 1kx7 n THR 28 Cb 0.35 -0.54 -0.08 0.00 -1.55 0.00 0.00 70.33 68.52 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 0.85 -0.34 0.00 1.79 0.00 -1.99 0.63 119.26 120.20 1kx7 h ALA 29 Ca -0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1kx7 h ALA 29 Cb 2.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 1kx7 h ALA 29 CO 0.03 -0.68 -0.18 0.22 0.00 0.00 0.00 179.25 178.63 1kx7 h ASP 30 N -0.37 0.00 0.97 0.00 1.82 -1.95 -3.21 116.42 113.67 1kx7 h ASP 30 Ca -0.03 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1kx7 h ASP 30 Cb 0.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1kx7 h ASP 30 CO 0.06 0.18 -1.11 -0.50 -1.61 0.00 0.00 179.24 176.27 1kx7 h TRP 31 N 0.00 0.00 -0.19 0.28 4.06 -1.66 -3.39 115.95 115.04 1kx7 h TRP 31 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 1kx7 h TRP 31 Cb 1.03 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.12 1kx7 h TRP 31 CO 0.00 0.54 -0.42 0.93 -3.56 0.00 0.00 178.44 175.94 1kx7 h GLU 32 N 0.00 -0.43 0.00 0.49 5.08 0.27 0.72 114.58 120.71 1kx7 h GLU 32 Ca -0.10 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1kx7 h GLU 32 Cb 1.51 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1kx7 h GLU 32 CO 0.05 -0.29 0.00 -0.35 -1.00 0.00 0.00 179.01 177.42 1kx7 n PRO 33 N -5.43 0.49 -0.07 2.33 -0.04 -1.26 -2.49 135.00 128.53 1kx7 n PRO 33 Ca -0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 1kx7 n PRO 33 Cb 0.36 -1.01 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.51 0.29 0.00 0.54 5.12 -0.14 -4.56 116.66 117.39 1kx7 n ARG 34 Ca 0.00 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1kx7 n ARG 34 Cb 0.00 -0.98 0.02 0.00 -1.16 0.00 0.00 32.46 30.34 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 -3.60 0.00 -0.06 0.55 4.77 0.06 -1.74 117.00 116.99 1kx7 n LEU 35 Ca -0.27 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.64 1kx7 n LEU 35 Cb 0.69 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 1kx7 n LEU 35 CO 0.01 0.00 -0.86 0.00 -1.33 0.00 0.00 177.39 175.22 1kx7 n ALA 36 N -0.55 1.60 -0.10 -1.18 0.00 -1.06 -4.59 120.51 114.63 1kx7 n ALA 36 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.24 1kx7 n ALA 36 Cb 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 1kx7 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kx7 n LYS 37 N -2.84 0.53 0.00 0.00 4.76 -0.71 -5.12 118.16 114.78 1kx7 n LYS 37 Ca -0.24 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1kx7 n LYS 37 Cb 1.07 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 1.47 -0.69 1.65 0.72 0.00 -1.14 -5.07 105.19 102.13 1kx7 n GLY 38 Ca -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.31 0.56 1.61 0.31 -1.26 -4.19 118.33 115.67 1kx7 n VAL 39 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1kx7 n VAL 39 Cb 0.00 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 -3.19 0.00 0.09 4.52 9.92 -1.26 -1.77 116.55 124.87 1kx7 n ASP 40 Ca 0.00 -0.57 0.11 0.00 -0.53 0.00 0.00 54.79 53.81 1kx7 n ASP 40 Cb 0.00 -0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.49 0.79 -0.09 -2.24 3.02 -1.26 -3.94 115.26 111.05 1kx7 n ASN 41 Ca 0.00 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.70 1kx7 n ASN 41 Cb 0.00 0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 1kx7 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kx7 n LEU 42 N -2.60 2.79 -0.29 3.41 4.77 -0.73 -4.06 117.00 120.28 1kx7 n LEU 42 Ca 0.00 -0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.09 1kx7 n LEU 42 Cb 0.54 -0.61 0.44 0.00 -2.33 0.00 0.00 43.42 41.46 1kx7 n LEU 42 CO 0.40 0.75 1.21 1.62 -1.33 0.00 0.00 177.39 180.05 1kx7 h VAL 43 N -0.08 0.68 -0.77 4.08 3.04 -1.77 0.19 116.25 121.63 1kx7 h VAL 43 Ca -0.40 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1kx7 h VAL 43 Cb 1.59 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 1kx7 h VAL 43 CO -0.09 0.10 0.33 0.07 -1.01 0.00 0.00 177.57 176.97 1kx7 h LYS 44 N 0.55 1.13 -0.27 4.17 2.10 -1.75 -2.34 116.57 120.16 1kx7 h LYS 44 Ca 0.52 -0.18 -0.16 0.00 -2.00 0.00 0.00 60.65 58.83 1kx7 h LYS 44 Cb 1.09 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1kx7 h LYS 44 CO -0.26 0.90 -0.46 0.77 -2.00 0.00 0.00 179.45 178.39 1kx7 h SER 45 N 1.11 0.77 -0.12 7.07 0.02 -0.85 -1.90 113.55 119.65 1kx7 h SER 45 Ca 0.26 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1kx7 h SER 45 Cb 0.17 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1kx7 h SER 45 CO -0.03 1.11 -0.25 0.58 -1.14 0.00 0.00 176.83 177.11 1kx7 h VAL 46 N 0.57 0.41 -0.62 2.27 2.07 -0.94 -0.20 116.25 119.81 1kx7 h VAL 46 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1kx7 h VAL 46 Cb 1.01 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1kx7 h VAL 46 CO 0.10 0.00 0.41 0.07 0.02 0.00 0.00 177.57 178.16 1kx7 h LYS 47 N -0.32 0.73 -0.08 1.57 2.10 -1.27 0.19 116.57 119.49 1kx7 h LYS 47 Ca 0.10 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.55 1kx7 h LYS 47 Cb 0.46 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1kx7 h LYS 47 CO -0.30 0.49 -0.62 1.15 -2.00 0.00 0.00 179.45 178.16 1kx7 h THR 48 N 0.76 1.38 -3.24 0.07 2.02 -0.55 -3.05 112.91 110.31 1kx7 h THR 48 Ca 0.24 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1kx7 h THR 48 Cb 0.03 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1kx7 h THR 48 CO -0.06 0.60 -0.08 0.61 0.37 0.00 0.00 175.52 176.95 1kx7 n GLY 49 N 0.32 -1.89 3.34 2.16 0.00 -0.16 -4.82 105.19 104.13 1kx7 n GLY 49 Ca -0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.20 -1.71 -0.12 0.99 -0.00 -1.24 -4.79 117.00 109.93 1kx7 n LEU 50 Ca 0.01 -0.34 -0.11 0.00 -0.00 0.00 0.00 56.01 55.57 1kx7 n LEU 50 Cb 0.02 -1.10 -0.06 0.00 -0.00 0.00 0.00 43.42 42.28 1kx7 n LEU 50 CO 0.05 -3.55 0.55 0.78 -0.00 0.00 0.00 177.39 175.22 1kx7 h ASN 51 N -2.78 -1.56 -0.83 1.96 2.35 -1.98 0.82 115.58 113.57 1kx7 h ASN 51 Ca -0.55 0.22 -0.38 0.00 -0.55 0.00 0.00 56.30 55.04 1kx7 h ASN 51 Cb 1.31 0.66 -0.23 0.00 0.05 0.00 0.00 38.32 40.11 1kx7 h ASN 51 CO 0.40 -0.39 0.44 0.00 -1.65 0.00 0.00 177.43 176.24 1kx7 n ALA 52 N -3.07 5.11 -3.36 -0.83 0.00 -1.26 -4.93 120.51 112.17 1kx7 n ALA 52 Ca -0.02 -2.78 -0.30 0.00 0.00 0.00 0.00 53.44 50.35 1kx7 n ALA 52 Cb 0.35 -1.28 -0.17 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.21 2.57 0.72 0.00 -1.94 0.28 -5.08 119.30 112.65 1kx7 s MET 53 Ca 0.55 -0.71 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 1kx7 s MET 53 Cb 0.46 -2.01 0.03 0.00 2.01 0.00 0.00 34.83 35.32 1kx7 s MET 53 CO 0.10 0.10 1.11 -1.25 -0.01 0.00 0.00 175.02 175.07 1kx7 s PRO 54 N 0.53 2.44 0.24 2.03 0.04 -1.26 -3.67 135.00 135.35 1kx7 s PRO 54 Ca -0.16 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 1kx7 s PRO 54 Cb -0.17 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1kx7 s PRO 54 CO 0.06 -1.52 1.60 -1.25 0.04 0.00 0.00 177.00 175.92 1kx7 s PRO 55 N -4.46 4.16 -1.51 0.56 0.04 -1.26 -2.08 135.00 130.45 1kx7 s PRO 55 Ca 0.65 2.51 -0.12 0.00 0.04 0.00 0.00 61.00 64.07 1kx7 s PRO 55 Cb -0.20 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.35 1kx7 s PRO 55 CO 0.49 -0.63 0.96 0.41 0.04 0.00 0.00 177.00 178.27 1kx7 n GLY 56 N 2.94 -0.48 4.06 0.56 0.00 0.62 -2.08 105.19 110.82 1kx7 n GLY 56 Ca 0.11 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.69 -0.23 2.82 -0.02 0.00 -0.88 -1.68 105.19 103.50 1kx7 n GLY 57 Ca 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.47 -4.44 -4.34 1.61 1.56 -0.89 -4.61 117.12 101.54 1kx7 n MET 58 Ca -0.31 0.67 -0.23 0.00 -0.27 0.00 0.00 57.70 57.56 1kx7 n MET 58 Cb 0.69 -5.07 -0.13 0.00 2.15 0.00 0.00 33.22 30.86 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 -1.91 0.00 -1.04 -1.26 -4.53 114.28 106.85 1kx7 n THR 60 Ca -0.19 0.25 -0.28 0.00 -2.04 0.00 0.00 64.05 61.79 1kx7 n THR 60 Cb 0.54 -0.78 0.03 0.00 -1.82 0.00 0.00 70.33 68.30 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 61 N -1.30 5.69 -4.76 8.00 8.00 -1.26 -5.01 116.55 125.91 1kx7 n ASP 61 Ca 0.00 -3.76 -0.41 0.00 0.71 0.00 0.00 54.79 51.33 1kx7 n ASP 61 Cb 0.00 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.34 4.27 0.31 0.00 2.01 -1.26 -4.92 115.64 115.71 1kx7 s THR 63 Ca 0.59 -1.44 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1kx7 s THR 63 Cb -0.46 -3.28 0.33 0.00 0.01 0.00 0.00 72.50 69.10 1kx7 s THR 63 CO 0.51 -0.31 1.63 0.44 -0.69 0.00 0.00 174.62 176.21 1kx7 h ASP 64 N 1.73 0.04 -0.97 3.53 3.32 -1.97 0.19 116.42 122.29 1kx7 h ASP 64 Ca -0.48 0.21 0.20 0.00 0.02 0.00 0.00 57.03 56.98 1kx7 h ASP 64 Cb 1.23 0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.97 1kx7 h ASP 64 CO 0.61 -0.20 0.61 1.05 -1.72 0.00 0.00 179.24 179.59 1kx7 h GLU 65 N 0.18 0.62 0.04 3.56 4.11 -1.99 0.91 114.58 122.00 1kx7 h GLU 65 Ca 0.61 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.83 1kx7 h GLU 65 Cb 1.31 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1kx7 h GLU 65 CO -0.69 0.41 -0.89 -0.44 0.07 0.00 0.00 179.01 177.47 1kx7 h ASP 66 N 0.64 0.12 0.19 3.06 3.32 -1.16 -3.25 116.42 119.34 1kx7 h ASP 66 Ca 0.54 -0.77 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1kx7 h ASP 66 Cb 1.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1kx7 h ASP 66 CO -0.30 1.37 -0.13 1.88 -1.72 0.00 0.00 179.24 180.34 1kx7 h TYR 67 N -0.79 -0.33 0.30 4.55 0.05 -0.39 0.18 116.97 120.54 1kx7 h TYR 67 Ca -0.22 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 1kx7 h TYR 67 Cb 1.34 0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.21 1kx7 h TYR 67 CO 0.17 -0.20 -0.15 0.87 -1.05 0.00 0.00 178.16 177.80 1kx7 h LYS 68 N -0.32 -0.39 -1.08 4.88 1.57 -1.04 -0.76 116.57 119.43 1kx7 h LYS 68 Ca -0.01 0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.09 1kx7 h LYS 68 Cb 0.27 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.56 1kx7 h LYS 68 CO 0.01 -0.22 0.68 0.00 -0.57 0.00 0.00 179.45 179.35 1kx7 h ALA 69 N 0.22 2.24 -0.33 3.86 0.00 -1.56 0.28 119.26 123.97 1kx7 h ALA 69 Ca -0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1kx7 h ALA 69 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kx7 h ALA 69 CO 0.07 -0.71 -0.16 0.00 0.00 0.00 0.00 179.25 178.45 1kx7 h ALA 70 N 1.65 0.46 0.01 0.00 0.00 0.76 0.31 119.26 122.46 1kx7 h ALA 70 Ca 0.65 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 1kx7 h ALA 70 Cb 1.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1kx7 h ALA 70 CO -0.37 0.37 -0.96 -0.84 0.00 0.00 0.00 179.25 177.45 1kx7 h ILE 71 N 0.45 1.42 0.00 0.00 3.07 -0.26 -3.12 117.51 119.07 1kx7 h ILE 71 Ca 0.07 -2.51 -0.08 0.00 1.55 0.00 0.00 64.86 63.89 1kx7 h ILE 71 Cb 0.69 2.46 -0.01 0.00 -0.27 0.00 0.00 36.82 39.69 1kx7 h ILE 71 CO 0.05 0.75 -0.37 -0.33 -1.05 0.00 0.00 178.15 177.20 1kx7 h GLU 72 N 0.20 0.00 -0.24 0.16 5.08 -0.50 -1.07 114.58 118.21 1kx7 h GLU 72 Ca -0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1kx7 h GLU 72 Cb 1.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 1kx7 h GLU 72 CO 0.16 0.37 -0.09 0.35 -1.00 0.00 0.00 179.01 178.80 1kx7 h PHE 73 N 0.00 -0.22 0.36 4.33 3.04 -0.30 -3.24 116.94 120.90 1kx7 h PHE 73 Ca -0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1kx7 h PHE 73 Cb 0.68 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1kx7 h PHE 73 CO 0.00 -0.15 -0.17 0.52 -2.02 0.00 0.00 178.31 176.49 1kx7 h MET 74 N -0.05 -0.46 0.00 1.11 2.86 -1.53 -3.48 114.93 113.37 1kx7 h MET 74 Ca 0.13 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1kx7 h MET 74 Cb 0.24 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1kx7 h MET 74 CO -0.28 -0.31 0.00 0.43 1.06 0.00 0.00 176.91 177.81 1kx7 n SER 75 N -3.68 0.00 0.00 1.22 7.64 -0.43 -4.78 113.62 113.59 1kx7 n SER 75 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1kx7 n SER 75 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1kx7 n SER 75 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1kx7 n LYS 76 N -0.26 0.00 0.00 1.43 2.85 -1.17 -4.42 118.16 116.58 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 1.45 0.58 0.00 -1.26 -4.73 120.51 116.55 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 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86