#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 -0.85 -1.14 0.00 -1.08 -1.26 -5.07 116.67 107.28 1kx7 s ASP -2 Ca 0.00 1.34 -0.20 0.00 -0.52 0.00 0.00 52.55 53.17 1kx7 s ASP -2 Cb 0.00 1.39 -0.06 0.00 -1.46 0.00 0.00 42.92 42.79 1kx7 s ASP -2 CO 0.00 -0.21 1.92 -0.11 0.52 0.00 0.00 175.17 177.29 1kx7 n LEU -1 N 4.22 4.22 -0.02 -1.34 0.00 -1.26 -4.40 117.00 118.42 1kx7 n LEU -1 Ca -0.19 -3.39 0.00 0.00 0.00 0.00 0.00 56.01 52.43 1kx7 n LEU -1 Cb 0.58 -1.57 -0.05 0.00 0.00 0.00 0.00 43.42 42.38 1kx7 n LEU -1 CO -0.01 -0.65 -0.64 1.67 0.00 0.00 0.00 177.39 177.76 1kx7 n GLN 1 N 7.72 1.58 -1.62 1.96 0.00 -1.26 -5.05 117.38 120.71 1kx7 n GLN 1 Ca 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 1kx7 n GLN 1 Cb 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 29.52 1kx7 n GLN 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1kx7 n ASP 2 N -1.98 0.31 -0.11 1.69 -0.08 -1.26 -5.07 116.55 110.04 1kx7 n ASP 2 Ca -0.06 -0.81 -0.17 0.00 -1.51 0.00 0.00 54.79 52.25 1kx7 n ASP 2 Cb 0.44 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 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 -3.00 1.53 -0.01 -1.67 0.00 -1.26 -3.77 120.51 112.33 1kx7 n ALA 3 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 53.44 52.43 1kx7 n ALA 3 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.15 -0.15 -0.00 0.00 4.57 -1.93 0.41 114.58 117.33 1kx7 h GLU 4 Ca -0.50 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.60 1kx7 h GLU 4 Cb 1.71 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.32 1kx7 h GLU 4 CO -0.12 -0.10 -0.40 0.00 -1.18 0.00 0.00 179.01 177.21 1kx7 h ALA 5 N 0.94 1.34 0.13 2.92 0.00 -1.91 -0.01 119.26 122.66 1kx7 h ALA 5 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1kx7 h ALA 5 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kx7 h ALA 5 CO -0.24 0.50 -0.06 0.97 0.00 0.00 0.00 179.25 180.42 1kx7 h ILE 6 N 0.01 1.04 -0.39 0.00 -0.00 -1.38 0.58 117.51 117.37 1kx7 h ILE 6 Ca -0.00 -0.79 -0.16 0.00 -0.00 0.00 0.00 64.86 63.91 1kx7 h ILE 6 Cb 0.71 1.53 -0.01 0.00 -0.00 0.00 0.00 36.82 39.04 1kx7 h ILE 6 CO 0.05 0.18 -0.38 0.10 -0.00 0.00 0.00 178.15 178.11 1kx7 h TYR 7 N -0.55 1.13 0.00 2.19 -0.00 -0.74 0.43 116.97 119.43 1kx7 h TYR 7 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 58.73 58.34 1kx7 h TYR 7 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 36.73 36.92 1kx7 h TYR 7 CO 0.04 1.17 -0.18 -0.97 -0.00 0.00 0.00 178.16 178.23 1kx7 h ASN 8 N 0.77 0.00 0.55 0.10 -1.24 -1.03 0.11 115.58 114.84 1kx7 h ASN 8 Ca 0.06 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.79 1kx7 h ASN 8 Cb 0.97 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.98 1kx7 h ASN 8 CO 0.09 0.18 -1.61 0.50 -1.29 0.00 0.00 177.43 175.31 1kx7 h LYS 9 N 0.00 0.02 0.00 6.67 3.64 -0.61 -3.43 116.57 122.86 1kx7 h LYS 9 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1kx7 h LYS 9 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1kx7 h LYS 9 CO 0.02 0.62 -0.02 0.00 -2.27 0.00 0.00 179.45 177.80 1kx7 n ALA 10 N -2.55 1.47 -0.54 5.00 0.00 0.15 -4.68 120.51 119.36 1kx7 n ALA 10 Ca -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1kx7 n ALA 10 Cb 1.03 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.44 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 2.01 0.00 -0.07 0.00 5.66 -1.08 -4.06 114.28 116.74 1kx7 n THR 12 Ca 0.13 -0.32 -0.21 0.00 -3.05 0.00 0.00 64.05 60.59 1kx7 n THR 12 Cb 0.51 1.10 -0.13 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.46 1.63 -0.07 1.08 0.31 -1.25 -4.36 118.33 115.21 1kx7 n VAL 13 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1kx7 n VAL 13 Cb 0.03 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 n HIS 15 N -4.14 0.88 -0.07 0.00 8.25 -1.26 0.52 115.22 119.39 1kx7 n HIS 15 Ca -0.19 0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.44 1kx7 n HIS 15 Cb 0.50 -0.99 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 1kx7 n HIS 15 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1kx7 h SER 16 N 0.00 0.60 0.00 0.41 0.87 -1.76 -2.04 113.55 111.63 1kx7 h SER 16 Ca 0.00 -0.50 -0.11 0.00 -1.23 0.00 0.00 61.79 59.96 1kx7 h SER 16 Cb 0.52 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1kx7 h SER 16 CO 0.00 0.98 -1.40 0.23 -0.53 0.00 0.00 176.83 176.11 1kx7 n MET 17 N -4.36 0.17 -0.51 2.24 2.81 -1.18 -4.80 117.12 111.49 1kx7 n MET 17 Ca -0.05 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1kx7 n MET 17 Cb 0.45 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 3.14 0.83 0.06 3.03 0.00 0.18 -5.00 105.19 107.44 1kx7 n GLY 18 Ca -0.12 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 0.54 -0.15 1.61 2.07 -1.83 -3.33 116.25 115.16 1kx7 h VAL 19 Ca 0.00 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1kx7 h VAL 19 Cb 0.34 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1kx7 h VAL 19 CO 0.00 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.87 1kx7 n ALA 20 N -2.94 3.07 -1.36 1.67 0.00 -1.26 -4.74 120.51 114.95 1kx7 n ALA 20 Ca -0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1kx7 n ALA 20 Cb 0.23 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 0.33 1.31 3.77 0.00 0.00 -1.25 -4.99 105.19 104.35 1kx7 n GLY 21 Ca 0.09 -0.27 -0.40 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 -2.35 3.24 0.47 4.61 0.00 -1.26 -4.97 121.76 121.49 1kx7 s ALA 22 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.09 1kx7 s ALA 22 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1kx7 s ALA 22 CO 0.00 -1.01 1.04 -1.25 0.00 0.00 0.00 175.76 174.53 1kx7 s PRO 23 N -2.37 3.88 0.25 0.00 0.04 -1.26 -4.30 135.00 131.25 1kx7 s PRO 23 Ca 0.59 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1kx7 s PRO 23 Cb -0.41 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.86 1kx7 s PRO 23 CO 0.52 -0.36 1.51 0.15 0.04 0.00 0.00 177.00 178.85 1kx7 s LYS 24 N -3.11 4.21 0.63 4.56 1.02 -1.26 -4.50 119.74 121.28 1kx7 s LYS 24 Ca 0.66 2.40 0.24 0.00 0.02 0.00 0.00 55.97 59.29 1kx7 s LYS 24 Cb -0.17 -3.08 1.16 0.00 -0.52 0.00 0.00 37.83 35.21 1kx7 s LYS 24 CO 0.21 -0.51 1.63 0.66 -0.92 0.00 0.00 175.35 176.41 1kx7 h SER 25 N 5.17 0.00 -0.42 2.83 4.64 -1.68 -2.65 113.55 121.45 1kx7 h SER 25 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.62 1kx7 h SER 25 Cb 1.22 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.92 1kx7 h SER 25 CO 0.80 0.00 -1.09 0.00 -0.87 0.00 0.00 176.83 175.67 1kx7 n HIS 26 N -3.16 1.13 -2.53 4.77 1.44 -1.26 -4.66 115.22 110.95 1kx7 n HIS 26 Ca 0.07 -2.13 -0.33 0.00 -2.01 0.00 0.00 57.72 53.31 1kx7 n HIS 26 Cb 0.81 -0.16 -0.04 0.00 0.12 0.00 0.00 29.99 30.72 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 -3.70 6.48 -0.13 4.39 0.01 -1.00 -4.99 114.94 116.00 1kx7 s ASN 27 Ca 0.26 1.79 0.11 0.00 -0.71 0.00 0.00 52.86 54.31 1kx7 s ASN 27 Cb 0.33 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 39.29 1kx7 s ASN 27 CO -0.04 -0.68 0.03 0.41 -1.51 0.00 0.00 177.10 175.31 1kx7 n THR 28 N -1.12 0.87 0.00 1.60 -1.04 -1.26 -4.34 114.28 109.00 1kx7 n THR 28 Ca 0.08 -0.53 -0.10 0.00 -2.04 0.00 0.00 64.05 61.46 1kx7 n THR 28 Cb 0.53 -0.69 0.04 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.59 0.64 0.00 2.41 0.00 -2.00 0.38 119.26 121.29 1kx7 h ALA 29 Ca -0.34 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 53.83 1kx7 h ALA 29 Cb 1.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1kx7 h ALA 29 CO 0.01 0.70 -0.97 0.22 0.00 0.00 0.00 179.25 179.21 1kx7 h ASP 30 N 0.43 0.02 0.78 0.00 1.82 -1.98 -3.30 116.42 114.19 1kx7 h ASP 30 Ca 0.00 -0.02 -0.25 0.00 -0.39 0.00 0.00 57.03 56.38 1kx7 h ASP 30 Cb 1.14 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 1kx7 h ASP 30 CO 0.11 0.97 -1.24 -0.50 -1.61 0.00 0.00 179.24 176.97 1kx7 h TRP 31 N 0.00 0.14 -0.74 0.28 4.06 -1.73 -3.38 115.95 114.58 1kx7 h TRP 31 Ca -0.01 -0.10 0.07 0.00 2.06 0.00 0.00 58.89 60.90 1kx7 h TRP 31 Cb 1.71 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 29.77 1kx7 h TRP 31 CO 0.00 1.10 -0.47 0.93 -3.56 0.00 0.00 178.44 176.44 1kx7 h GLU 32 N 0.02 -0.04 0.00 0.49 4.39 -0.32 0.20 114.58 119.32 1kx7 h GLU 32 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1kx7 h GLU 32 Cb 1.88 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1kx7 h GLU 32 CO 0.14 -0.02 0.00 -0.35 -1.16 0.00 0.00 179.01 177.61 1kx7 n PRO 33 N -4.80 0.61 -0.08 2.33 -0.04 -1.26 -2.70 135.00 129.07 1kx7 n PRO 33 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1kx7 n PRO 33 Cb 0.21 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.67 0.37 0.00 0.54 5.12 0.28 -4.51 116.66 117.78 1kx7 n ARG 34 Ca 0.05 0.10 0.04 0.00 -1.93 0.00 0.00 57.85 56.11 1kx7 n ARG 34 Cb 0.02 -1.24 0.22 0.00 -1.16 0.00 0.00 32.46 30.31 1kx7 n ARG 34 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1kx7 n LEU 35 N -3.14 0.00 0.10 0.55 0.00 0.44 -2.89 117.00 112.05 1kx7 n LEU 35 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.57 1kx7 n LEU 35 Cb 0.77 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 44.05 1kx7 n LEU 35 CO 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 177.39 177.44 1kx7 h ALA 36 N 2.59 0.10 0.00 1.96 0.00 -1.78 -3.35 119.26 118.79 1kx7 h ALA 36 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1kx7 h ALA 36 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kx7 h ALA 36 CO 0.00 0.98 -0.04 0.87 0.00 0.00 0.00 179.25 181.06 1kx7 h LYS 37 N 0.07 0.00 0.00 0.00 1.57 -1.84 -3.52 116.57 112.86 1kx7 h LYS 37 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1kx7 h LYS 37 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1kx7 h LYS 37 CO 0.20 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 1kx7 n GLY 38 N 1.79 0.03 3.61 3.86 0.00 -1.24 -5.10 105.19 108.14 1kx7 n GLY 38 Ca -0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 1.51 0.00 1.61 -7.23 -1.26 -4.39 120.40 110.65 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 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.24 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 -1.02 -5.25 -0.06 4.85 8.00 -1.26 -4.80 116.55 117.01 1kx7 n ASP 40 Ca -0.08 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.37 1kx7 n ASP 40 Cb 0.67 -2.98 -0.01 0.00 -0.02 0.00 0.00 41.12 38.77 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kx7 n ASN 41 N -0.80 1.45 0.16 -2.24 3.02 -1.26 -4.36 115.26 111.22 1kx7 n ASN 41 Ca 0.00 0.48 0.03 0.00 -0.03 0.00 0.00 54.58 55.06 1kx7 n ASN 41 Cb 0.40 -0.77 0.21 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.79 0.00 -1.85 3.41 3.38 -1.87 -2.17 115.31 115.43 1kx7 h LEU 42 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1kx7 h LEU 42 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1kx7 h LEU 42 CO 0.00 0.49 -0.09 1.62 0.09 0.00 0.00 178.44 180.54 1kx7 h VAL 43 N 0.00 1.01 -0.29 1.22 3.04 -1.84 0.05 116.25 119.43 1kx7 h VAL 43 Ca -0.00 -0.33 -0.11 0.00 -1.01 0.00 0.00 66.70 65.25 1kx7 h VAL 43 Cb 1.11 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1kx7 h VAL 43 CO 0.06 0.09 -0.23 0.11 -1.01 0.00 0.00 177.57 176.59 1kx7 h LYS 44 N 0.00 0.68 -0.65 4.17 1.79 -1.59 -2.22 116.57 118.75 1kx7 h LYS 44 Ca -0.00 -0.34 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1kx7 h LYS 44 Cb 0.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1kx7 h LYS 44 CO 0.01 0.94 0.13 1.03 -1.08 0.00 0.00 179.45 180.48 1kx7 h SER 45 N 0.42 0.99 -0.31 0.86 0.87 -1.33 -1.48 113.55 113.57 1kx7 h SER 45 Ca 0.05 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1kx7 h SER 45 Cb 0.79 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 1kx7 h SER 45 CO 0.06 0.97 0.05 0.58 -0.53 0.00 0.00 176.83 177.96 1kx7 h VAL 46 N 0.99 0.84 -0.11 2.23 2.07 -0.90 0.48 116.25 121.83 1kx7 h VAL 46 Ca 0.20 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 1kx7 h VAL 46 Cb 0.39 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1kx7 h VAL 46 CO 0.01 0.03 -0.30 0.07 0.02 0.00 0.00 177.57 177.40 1kx7 h LYS 47 N 0.16 0.21 0.00 1.57 2.10 -1.21 -0.26 116.57 119.14 1kx7 h LYS 47 Ca 0.15 -0.08 -0.15 0.00 -2.00 0.00 0.00 60.65 58.57 1kx7 h LYS 47 Cb 0.17 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1kx7 h LYS 47 CO -0.20 0.50 -0.70 1.15 -2.00 0.00 0.00 179.45 178.20 1kx7 h THR 48 N 0.19 1.47 -1.18 0.07 2.02 -0.29 0.12 112.91 115.31 1kx7 h THR 48 Ca 0.03 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1kx7 h THR 48 Cb 0.63 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1kx7 h THR 48 CO 0.05 0.69 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1kx7 n GLY 49 N 0.55 -3.42 0.00 2.16 0.00 0.16 -4.15 105.19 100.49 1kx7 n GLY 49 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.01 0.99 7.94 -0.97 -4.78 117.00 120.17 1kx7 n LEU 50 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kx7 n LEU 50 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kx7 n LEU 50 CO 0.00 0.00 -0.01 0.78 -1.11 0.00 0.00 177.39 177.05 1kx7 h ASN 51 N 0.00 0.00 1.19 1.96 2.35 -1.98 -3.36 115.58 115.74 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 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1kx7 h ASN 51 CO 0.00 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 175.92 1kx7 n ALA 52 N -2.24 2.05 -2.60 -0.83 0.00 -1.26 -4.77 120.51 110.85 1kx7 n ALA 52 Ca -0.00 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1kx7 n ALA 52 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.18 4.00 0.70 0.00 0.00 -1.26 -5.08 119.30 114.47 1kx7 s MET 53 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 55.69 55.52 1kx7 s MET 53 Cb 0.11 -3.65 0.02 0.00 0.00 0.00 0.00 34.83 31.31 1kx7 s MET 53 CO 0.52 -0.21 1.09 -1.25 0.00 0.00 0.00 175.02 175.17 1kx7 s PRO 54 N 1.86 2.67 -0.07 4.11 0.04 -1.26 -2.28 135.00 140.07 1kx7 s PRO 54 Ca 0.11 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1kx7 s PRO 54 Cb -0.16 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1kx7 s PRO 54 CO 0.10 -1.33 1.94 -1.25 0.04 0.00 0.00 177.00 176.50 1kx7 s PRO 55 N -4.47 3.85 0.00 0.56 0.04 -1.26 -2.75 135.00 130.97 1kx7 s PRO 55 Ca 0.64 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1kx7 s PRO 55 Cb -0.18 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1kx7 s PRO 55 CO 0.47 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1kx7 n GLY 56 N 4.80 1.36 5.33 0.56 0.00 0.41 -4.82 105.19 112.83 1kx7 n GLY 56 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.43 0.25 1.98 -0.02 0.00 -0.14 -2.16 105.19 104.67 1kx7 n GLY 57 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 0.55 -4.39 1.61 1.56 -1.26 -4.20 117.12 110.98 1kx7 n MET 58 Ca 0.00 -0.49 -0.20 0.00 -0.27 0.00 0.00 57.70 56.74 1kx7 n MET 58 Cb 0.00 0.17 -0.10 0.00 2.15 0.00 0.00 33.22 35.44 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 -0.60 0.00 -1.64 0.00 -1.04 -1.26 -4.63 114.28 105.10 1kx7 n THR 60 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1kx7 n THR 60 Cb 0.66 -0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.00 6.72 -4.57 8.00 8.00 -1.26 -4.90 116.55 128.54 1kx7 n ASP 61 Ca 0.00 -2.79 -0.14 0.00 0.71 0.00 0.00 54.79 52.57 1kx7 n ASP 61 Cb 0.00 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.46 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 15.55 4.45 0.50 0.00 -4.23 -1.26 -4.84 115.64 125.82 1kx7 s THR 63 Ca 0.87 1.88 0.34 0.00 -1.18 0.00 0.00 61.69 63.60 1kx7 s THR 63 Cb -0.09 -4.20 0.53 0.00 1.34 0.00 0.00 72.50 70.07 1kx7 s THR 63 CO 0.12 0.22 1.75 0.44 -0.54 0.00 0.00 174.62 176.61 1kx7 h ASP 64 N 6.17 0.12 0.25 3.99 5.19 -1.97 0.27 116.42 130.45 1kx7 h ASP 64 Ca -0.42 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1kx7 h ASP 64 Cb 1.21 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 1kx7 h ASP 64 CO 0.75 -0.00 -0.50 -0.33 -3.12 0.00 0.00 179.24 176.03 1kx7 h GLU 65 N 0.09 -0.80 -0.08 3.56 4.39 -1.99 0.27 114.58 120.04 1kx7 h GLU 65 Ca 0.64 0.05 -0.20 0.00 0.34 0.00 0.00 59.36 60.20 1kx7 h GLU 65 Cb 2.30 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 31.13 1kx7 h GLU 65 CO -0.11 -0.53 -0.78 -0.44 -1.16 0.00 0.00 179.01 175.99 1kx7 h ASP 66 N -0.83 0.58 0.59 1.42 5.19 -0.99 -1.44 116.42 120.94 1kx7 h ASP 66 Ca -0.02 -0.39 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1kx7 h ASP 66 Cb 0.79 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1kx7 h ASP 66 CO -0.20 1.15 -0.50 1.88 -3.12 0.00 0.00 179.24 178.45 1kx7 h TYR 67 N 0.32 -1.37 -0.26 4.55 0.05 -0.65 -0.91 116.97 118.70 1kx7 h TYR 67 Ca -0.04 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.77 1kx7 h TYR 67 Cb 1.37 0.52 -0.03 0.00 1.01 0.00 0.00 36.73 39.60 1kx7 h TYR 67 CO 0.05 -0.69 0.09 1.57 -1.05 0.00 0.00 178.16 178.13 1kx7 h LYS 68 N -1.06 0.20 -0.11 4.88 2.10 -0.40 0.39 116.57 122.56 1kx7 h LYS 68 Ca -0.08 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1kx7 h LYS 68 Cb 0.90 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1kx7 h LYS 68 CO -0.01 0.13 0.28 0.00 -2.00 0.00 0.00 179.45 177.85 1kx7 h ALA 69 N 1.16 1.53 -0.00 0.07 0.00 -1.24 0.15 119.26 120.94 1kx7 h ALA 69 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kx7 h ALA 69 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kx7 h ALA 69 CO -0.12 -0.34 -0.89 0.00 0.00 0.00 0.00 179.25 177.90 1kx7 n ALA 70 N -2.09 4.49 -0.13 0.00 0.00 0.12 -3.00 120.51 119.90 1kx7 n ALA 70 Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.72 1kx7 n ALA 70 Cb 0.37 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 1kx7 n ALA 70 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1kx7 n ILE 71 N -1.41 1.48 -0.26 0.00 0.00 -0.38 -4.48 119.36 114.31 1kx7 n ILE 71 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 62.75 62.20 1kx7 n ILE 71 Cb 0.30 -1.30 0.25 0.00 0.00 0.00 0.00 39.64 38.89 1kx7 n ILE 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1kx7 h GLU 72 N 0.00 0.99 -1.01 9.51 -0.00 -0.88 -2.12 114.58 121.08 1kx7 h GLU 72 Ca -0.58 -0.06 0.23 0.00 -0.00 0.00 0.00 59.36 58.95 1kx7 h GLU 72 Cb 1.94 -0.22 -0.10 0.00 -0.00 0.00 0.00 28.75 30.37 1kx7 h GLU 72 CO -0.07 0.65 0.62 0.35 -0.00 0.00 0.00 179.01 180.56 1kx7 h PHE 73 N 1.02 0.90 0.02 2.06 3.04 -1.75 -3.01 116.94 119.22 1kx7 h PHE 73 Ca 0.33 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.31 1kx7 h PHE 73 Cb 0.04 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1kx7 h PHE 73 CO -0.00 0.13 -0.01 0.52 -2.02 0.00 0.00 178.31 176.93 1kx7 h MET 74 N 0.58 -0.02 0.00 1.11 2.86 -1.63 -3.47 114.93 114.36 1kx7 h MET 74 Ca 0.59 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.15 1kx7 h MET 74 Cb 1.18 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.76 1kx7 h MET 74 CO -0.37 -0.01 -0.18 0.45 1.06 0.00 0.00 176.91 177.86 1kx7 n SER 75 N -3.36 -0.62 -4.39 1.22 2.88 -1.07 -4.91 113.62 103.36 1kx7 n SER 75 Ca -0.00 -1.41 -0.35 0.00 -1.33 0.00 0.00 58.87 55.78 1kx7 n SER 75 Cb 0.01 0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.00 -0.87 0.00 -1.46 2.85 -1.14 -4.82 118.16 112.72 1kx7 n LYS 76 Ca -0.17 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1kx7 n LYS 76 Cb 0.56 -3.94 0.00 0.00 -0.65 0.00 0.00 35.03 31.00 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 -4.42 1.53 0.06 0.58 0.00 -1.26 -4.36 120.51 112.65 1kx7 n ALA 77 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1kx7 n ALA 77 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86