#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 -0.62 -1.25 0.00 2.15 -1.26 -5.07 116.67 110.62 1kx7 s ASP -2 Ca 0.00 0.96 -0.15 0.00 0.43 0.00 0.00 52.55 53.79 1kx7 s ASP -2 Cb 0.00 1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 43.92 1kx7 s ASP -2 CO 0.00 -0.15 2.23 -0.11 -0.17 0.00 0.00 175.17 176.98 1kx7 n LEU -1 N 4.04 6.22 -0.00 -1.34 7.94 -1.26 -4.33 117.00 128.26 1kx7 n LEU -1 Ca -0.17 -3.74 0.05 0.00 -1.11 0.00 0.00 56.01 51.03 1kx7 n LEU -1 Cb 0.57 -1.46 -0.07 0.00 0.53 0.00 0.00 43.42 42.99 1kx7 n LEU -1 CO 0.00 0.80 -0.59 1.67 -1.11 0.00 0.00 177.39 178.16 1kx7 n GLN 1 N 5.88 0.40 0.00 1.96 -0.06 -1.26 -5.03 117.38 119.27 1kx7 n GLN 1 Ca 0.54 -0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 1kx7 n GLN 1 Cb 0.35 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.32 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 -1.80 0.00 0.00 1.69 2.03 -1.26 -5.11 116.55 112.10 1kx7 n ASP 2 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1kx7 n ASP 2 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 1.78 -0.06 -1.67 0.00 -1.26 -4.70 120.51 111.60 1kx7 n ALA 3 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1kx7 n ALA 3 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 -0.05 0.00 0.00 4.81 -1.92 -0.57 114.58 116.85 1kx7 h GLU 4 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1kx7 h GLU 4 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1kx7 h GLU 4 CO 0.00 -0.03 -0.40 0.00 -0.73 0.00 0.00 179.01 177.85 1kx7 h ALA 5 N 1.18 1.32 0.15 2.92 0.00 -1.92 0.17 119.26 123.08 1kx7 h ALA 5 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1kx7 h ALA 5 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1kx7 h ALA 5 CO -0.29 0.50 -0.07 0.82 0.00 0.00 0.00 179.25 180.21 1kx7 h ILE 6 N 0.00 0.99 -0.43 0.00 5.03 -1.72 0.17 117.51 121.56 1kx7 h ILE 6 Ca -0.00 -0.88 -0.12 0.00 -0.12 0.00 0.00 64.86 63.74 1kx7 h ILE 6 Cb 0.72 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 36.00 1kx7 h ILE 6 CO 0.05 0.20 -0.19 0.10 -0.68 0.00 0.00 178.15 177.63 1kx7 h TYR 7 N -0.65 1.01 0.00 1.37 -0.00 -0.85 0.15 116.97 118.01 1kx7 h TYR 7 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 58.73 58.44 1kx7 h TYR 7 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.97 1kx7 h TYR 7 CO 0.06 1.03 -0.13 -0.97 -0.00 0.00 0.00 178.16 178.15 1kx7 h ASN 8 N 0.71 0.00 0.43 0.10 -1.24 -0.69 0.64 115.58 115.52 1kx7 h ASN 8 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.81 1kx7 h ASN 8 Cb 0.75 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 1kx7 h ASN 8 CO 0.06 0.13 -1.80 1.17 -1.29 0.00 0.00 177.43 175.70 1kx7 n LYS 9 N -3.37 0.64 -0.01 6.67 3.00 0.05 -4.71 118.16 120.43 1kx7 n LYS 9 Ca -0.01 0.25 -0.02 0.00 -0.00 0.00 0.00 58.31 58.53 1kx7 n LYS 9 Cb 0.32 -1.75 -0.01 0.00 0.00 0.00 0.00 35.03 33.59 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 -2.57 1.70 -0.52 3.14 0.00 0.53 -4.63 120.51 118.15 1kx7 n ALA 10 Ca -0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1kx7 n ALA 10 Cb 1.06 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 20.52 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 1.88 0.00 -0.09 0.00 5.66 -1.13 -3.57 114.28 117.03 1kx7 n THR 12 Ca 0.10 -0.44 -0.14 0.00 -3.05 0.00 0.00 64.05 60.52 1kx7 n THR 12 Cb 0.50 1.04 -0.08 0.00 -1.55 0.00 0.00 70.33 70.24 1kx7 n THR 12 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1kx7 n VAL 13 N -0.60 1.06 -0.04 1.08 0.24 -1.26 -4.37 118.33 114.44 1kx7 n VAL 13 Ca 0.00 -0.38 -0.02 0.00 -2.04 0.00 0.00 64.34 61.90 1kx7 n VAL 13 Cb 0.01 -1.27 -0.01 0.00 -1.47 0.00 0.00 33.84 31.10 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kx7 h HIS 15 N -0.61 0.00 0.12 0.00 3.86 -1.83 0.40 115.15 117.09 1kx7 h HIS 15 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kx7 h HIS 15 Cb 0.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1kx7 h HIS 15 CO -0.09 0.58 -0.07 1.03 0.86 0.00 0.00 177.93 180.24 1kx7 h SER 16 N 0.00 -0.18 0.00 2.45 0.87 -1.76 -3.28 113.55 111.65 1kx7 h SER 16 Ca -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1kx7 h SER 16 Cb 1.15 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1kx7 h SER 16 CO 0.08 -0.12 -1.86 0.23 -0.53 0.00 0.00 176.83 174.63 1kx7 n MET 17 N -5.18 0.60 -1.40 2.24 2.81 -1.23 -4.91 117.12 110.05 1kx7 n MET 17 Ca -0.08 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1kx7 n MET 17 Cb 0.11 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.37 0.48 3.98 3.03 0.00 0.12 -5.04 105.19 109.13 1kx7 n GLY 18 Ca -0.03 -0.34 -0.20 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 -2.39 4.57 -2.12 1.61 1.01 0.26 -4.31 120.40 119.03 1kx7 s VAL 19 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1kx7 s VAL 19 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1kx7 s VAL 19 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.85 1kx7 n ALA 20 N -1.59 -0.30 -0.94 5.51 0.00 -1.26 -0.73 120.51 121.20 1kx7 n ALA 20 Ca -0.04 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1kx7 n ALA 20 Cb 0.58 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.34 0.53 3.77 0.00 0.00 -1.26 -5.01 105.19 102.87 1kx7 n GLY 21 Ca -0.20 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.11 0.44 4.61 0.00 0.09 -5.02 121.76 123.00 1kx7 s ALA 22 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 1kx7 s ALA 22 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1kx7 s ALA 22 CO 0.00 -0.66 0.92 -1.25 0.00 0.00 0.00 175.76 174.78 1kx7 s PRO 23 N -2.41 4.08 -0.05 0.00 0.04 -1.26 -4.37 135.00 131.02 1kx7 s PRO 23 Ca 0.59 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 1kx7 s PRO 23 Cb -0.32 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1kx7 s PRO 23 CO 0.40 -0.09 0.09 0.15 0.04 0.00 0.00 177.00 177.60 1kx7 s LYS 24 N -3.49 3.19 -0.73 4.56 3.01 -1.26 -4.64 119.74 120.37 1kx7 s LYS 24 Ca 0.59 -0.36 -0.07 0.00 -1.01 0.00 0.00 55.97 55.12 1kx7 s LYS 24 Cb -0.10 -2.96 -0.15 0.00 -1.01 0.00 0.00 37.83 33.62 1kx7 s LYS 24 CO 0.21 0.69 2.91 -1.13 0.51 0.00 0.00 175.35 178.54 1kx7 n SER 25 N 1.52 6.05 0.00 2.83 3.41 -1.26 -3.72 113.62 122.45 1kx7 n SER 25 Ca -0.15 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1kx7 n SER 25 Cb 0.53 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1kx7 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx7 n HIS 26 N 3.21 -0.49 -2.34 7.33 1.44 -1.26 -5.00 115.22 118.11 1kx7 n HIS 26 Ca 0.53 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.89 1kx7 n HIS 26 Cb 0.48 0.28 -0.01 0.00 0.12 0.00 0.00 29.99 30.86 1kx7 n HIS 26 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1kx7 s ASN 27 N -3.23 6.00 -0.13 4.39 6.03 -1.24 -4.98 114.94 121.77 1kx7 s ASN 27 Ca 0.00 2.13 0.15 0.00 -1.03 0.00 0.00 52.86 54.11 1kx7 s ASN 27 Cb 0.00 -2.58 -0.24 0.00 -3.03 0.00 0.00 41.25 35.40 1kx7 s ASN 27 CO 0.00 -1.03 0.33 1.07 -2.03 0.00 0.00 177.10 175.44 1kx7 n THR 28 N -1.02 1.50 0.25 0.54 5.66 -1.26 -4.28 114.28 115.67 1kx7 n THR 28 Ca 0.10 -0.82 0.08 0.00 -3.05 0.00 0.00 64.05 60.36 1kx7 n THR 28 Cb 0.51 -0.77 0.64 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.95 1.80 0.00 1.79 0.00 -1.99 0.36 119.26 122.17 1kx7 h ALA 29 Ca -0.43 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 1kx7 h ALA 29 Cb 2.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1kx7 h ALA 29 CO 0.05 0.08 -0.86 0.22 0.00 0.00 0.00 179.25 178.74 1kx7 h ASP 30 N 0.00 0.13 0.45 0.00 1.82 -1.95 -3.35 116.42 113.52 1kx7 h ASP 30 Ca -0.00 -0.11 -0.30 0.00 -0.39 0.00 0.00 57.03 56.23 1kx7 h ASP 30 Cb 0.12 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.05 1kx7 h ASP 30 CO 0.01 0.92 -1.72 -0.50 -1.61 0.00 0.00 179.24 176.34 1kx7 h TRP 31 N 0.05 0.11 -0.19 0.28 4.06 -1.29 -3.40 115.95 115.57 1kx7 h TRP 31 Ca -0.03 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 60.89 1kx7 h TRP 31 Cb 1.50 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.58 1kx7 h TRP 31 CO 0.01 1.16 -0.44 0.93 -3.56 0.00 0.00 178.44 176.54 1kx7 h GLU 32 N 0.02 -0.45 0.00 0.49 5.08 -0.50 0.61 114.58 119.82 1kx7 h GLU 32 Ca -0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1kx7 h GLU 32 Cb 2.01 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1kx7 h GLU 32 CO 0.09 -0.30 0.00 -0.35 -1.00 0.00 0.00 179.01 177.45 1kx7 n PRO 33 N -5.43 0.25 -0.11 2.33 -0.04 -1.26 -1.83 135.00 128.91 1kx7 n PRO 33 Ca -0.04 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 1kx7 n PRO 33 Cb 0.36 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.07 0.53 0.13 0.54 5.12 -0.30 -4.41 116.66 117.20 1kx7 n ARG 34 Ca 0.06 0.22 0.09 0.00 -1.93 0.00 0.00 57.85 56.29 1kx7 n ARG 34 Cb 0.04 -1.40 0.46 0.00 -1.16 0.00 0.00 32.46 30.39 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 -4.30 0.44 0.06 0.55 4.77 0.05 -2.23 117.00 116.34 1kx7 n LEU 35 Ca -0.32 0.70 -0.21 0.00 -0.03 0.00 0.00 56.01 56.15 1kx7 n LEU 35 Cb 0.67 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1kx7 n LEU 35 CO 0.12 -0.85 -0.54 0.00 -1.33 0.00 0.00 177.39 174.78 1kx7 h ALA 36 N 2.00 0.24 -0.01 -1.18 0.00 -1.59 -3.35 119.26 115.38 1kx7 h ALA 36 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 1kx7 h ALA 36 Cb 0.00 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1kx7 h ALA 36 CO 0.00 1.11 -0.45 0.87 0.00 0.00 0.00 179.25 180.78 1kx7 h LYS 37 N 0.09 0.32 0.00 0.00 1.79 -1.69 -3.51 116.57 113.57 1kx7 h LYS 37 Ca -0.34 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1kx7 h LYS 37 Cb 2.07 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.81 1kx7 h LYS 37 CO 0.16 1.02 0.00 0.41 -1.08 0.00 0.00 179.45 179.96 1kx7 n GLY 38 N 1.01 -0.54 1.98 3.86 0.00 -0.95 -5.01 105.19 105.55 1kx7 n GLY 38 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.02 -0.40 1.61 0.31 -1.26 -3.85 118.33 114.75 1kx7 n VAL 39 Ca 0.00 0.01 0.33 0.00 -0.01 0.00 0.00 64.34 64.66 1kx7 n VAL 39 Cb 0.00 -0.52 0.60 0.00 -0.91 0.00 0.00 33.84 33.01 1kx7 n VAL 39 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1kx7 h ASP 40 N 0.00 0.31 -0.94 4.52 2.03 -1.97 0.49 116.42 120.86 1kx7 h ASP 40 Ca 0.00 0.14 0.27 0.00 -0.73 0.00 0.00 57.03 56.72 1kx7 h ASP 40 Cb 0.00 0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 38.59 1kx7 h ASP 40 CO 0.00 -0.15 0.85 0.78 -1.03 0.00 0.00 179.24 179.68 1kx7 h ASN 41 N 0.15 0.00 0.00 4.15 2.35 -1.92 0.81 115.58 121.13 1kx7 h ASN 41 Ca 0.78 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 56.15 1kx7 h ASN 41 Cb 2.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 40.58 1kx7 h ASN 41 CO -0.45 0.00 -2.43 0.18 -1.65 0.00 0.00 177.43 173.08 1kx7 n LEU 42 N -3.76 2.53 -0.27 1.61 7.99 0.15 -3.85 117.00 121.39 1kx7 n LEU 42 Ca 0.20 -0.12 0.14 0.00 -0.01 0.00 0.00 56.01 56.22 1kx7 n LEU 42 Cb 1.16 -0.68 0.41 0.00 -0.11 0.00 0.00 43.42 44.20 1kx7 n LEU 42 CO 0.32 0.86 1.22 1.62 -1.51 0.00 0.00 177.39 179.90 1kx7 h VAL 43 N 0.00 0.78 -0.45 4.08 3.04 -1.05 0.80 116.25 123.46 1kx7 h VAL 43 Ca -0.56 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.88 1kx7 h VAL 43 Cb 1.93 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1kx7 h VAL 43 CO -0.07 0.11 0.15 0.07 -1.01 0.00 0.00 177.57 176.83 1kx7 h LYS 44 N 0.62 0.68 -0.29 4.17 2.10 -1.07 -1.68 116.57 121.10 1kx7 h LYS 44 Ca 0.46 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.92 1kx7 h LYS 44 Cb 0.85 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1kx7 h LYS 44 CO -0.21 0.65 -0.06 0.77 -2.00 0.00 0.00 179.45 178.59 1kx7 h SER 45 N 0.58 0.43 0.45 7.07 0.02 -1.18 -2.16 113.55 118.76 1kx7 h SER 45 Ca 0.15 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1kx7 h SER 45 Cb 0.24 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1kx7 h SER 45 CO -0.01 0.55 -0.22 0.58 -1.14 0.00 0.00 176.83 176.59 1kx7 h VAL 46 N 0.44 0.55 -0.86 2.27 2.07 -0.76 -1.38 116.25 118.57 1kx7 h VAL 46 Ca 0.09 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1kx7 h VAL 46 Cb 0.38 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1kx7 h VAL 46 CO 0.02 0.04 0.56 0.07 0.02 0.00 0.00 177.57 178.27 1kx7 h LYS 47 N -0.72 0.69 -0.14 1.57 2.10 -1.16 -0.97 116.57 117.93 1kx7 h LYS 47 Ca -0.06 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.40 1kx7 h LYS 47 Cb 0.52 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1kx7 h LYS 47 CO 0.10 0.45 -0.55 1.15 -2.00 0.00 0.00 179.45 178.61 1kx7 h THR 48 N 0.71 1.34 -2.44 0.07 2.02 -1.19 -1.77 112.91 111.65 1kx7 h THR 48 Ca 0.42 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1kx7 h THR 48 Cb 0.62 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1kx7 h THR 48 CO -0.18 0.55 -0.23 0.61 0.37 0.00 0.00 175.52 176.64 1kx7 n GLY 49 N 0.20 -3.65 0.17 2.16 0.00 -0.54 -4.54 105.19 98.99 1kx7 n GLY 49 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 0.44 0.00 0.27 0.99 7.94 -1.10 -4.82 117.00 120.72 1kx7 n LEU 50 Ca 0.00 -0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.73 1kx7 n LEU 50 Cb 0.00 -0.05 -0.05 0.00 0.53 0.00 0.00 43.42 43.85 1kx7 n LEU 50 CO 0.00 -1.11 0.32 0.78 -1.11 0.00 0.00 177.39 176.27 1kx7 h ASN 51 N -1.19 -0.62 -0.46 1.96 2.35 -1.98 -3.24 115.58 112.39 1kx7 h ASN 51 Ca -0.02 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1kx7 h ASN 51 Cb 0.06 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1kx7 h ASN 51 CO 0.01 -0.26 -0.17 0.00 -1.65 0.00 0.00 177.43 175.36 1kx7 h ALA 52 N -1.30 0.64 -2.18 -0.83 0.00 -1.95 -3.45 119.26 110.19 1kx7 h ALA 52 Ca -0.07 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1kx7 h ALA 52 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1kx7 h ALA 52 CO 0.12 0.59 0.89 1.41 0.00 0.00 0.00 179.25 182.27 1kx7 s MET 53 N -4.71 4.24 0.79 0.00 0.00 -1.22 -5.02 119.30 113.38 1kx7 s MET 53 Ca -0.12 1.72 -0.13 0.00 0.00 0.00 0.00 55.69 57.16 1kx7 s MET 53 Cb 0.12 -3.75 0.07 0.00 0.00 0.00 0.00 34.83 31.27 1kx7 s MET 53 CO 0.85 -0.68 1.16 -1.25 0.00 0.00 0.00 175.02 175.11 1kx7 s PRO 54 N 3.34 1.86 0.41 4.11 0.04 -1.26 -2.70 135.00 140.80 1kx7 s PRO 54 Ca 0.57 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1kx7 s PRO 54 Cb -0.23 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1kx7 s PRO 54 CO 0.17 -2.01 1.35 -0.35 0.04 0.00 0.00 177.00 176.20 1kx7 n PRO 55 N -3.29 2.16 -1.56 0.56 -0.04 -1.26 -1.77 135.00 129.80 1kx7 n PRO 55 Ca 0.12 0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1kx7 n PRO 55 Cb 0.51 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.69 1.09 2.42 0.55 0.00 -0.44 -3.06 105.19 106.44 1kx7 n GLY 56 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.27 -0.44 2.13 -0.02 0.00 -0.73 -0.77 105.19 104.10 1kx7 n GLY 57 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.62 -0.39 -3.55 1.61 1.56 -1.17 -4.45 117.12 108.11 1kx7 n MET 58 Ca -0.09 0.52 -0.27 0.00 -0.27 0.00 0.00 57.70 57.59 1kx7 n MET 58 Cb 0.55 -4.27 -0.03 0.00 2.15 0.00 0.00 33.22 31.62 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 -0.99 0.00 -2.33 0.00 -1.04 -1.26 -4.70 114.28 103.96 1kx7 n THR 60 Ca -0.04 0.46 -0.19 0.00 -2.04 0.00 0.00 64.05 62.24 1kx7 n THR 60 Cb 0.54 -0.97 0.02 0.00 -1.82 0.00 0.00 70.33 68.11 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 -0.39 3.95 -4.69 8.00 2.03 -1.26 -5.09 116.55 119.10 1kx7 n ASP 61 Ca 0.00 -3.33 -0.44 0.00 0.52 0.00 0.00 54.79 51.55 1kx7 n ASP 61 Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 n THR 63 N 4.28 0.00 0.09 0.00 -1.04 -1.26 -4.98 114.28 111.37 1kx7 n THR 63 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1kx7 n THR 63 Cb 0.34 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1kx7 n THR 63 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 64 N -0.90 -1.37 -0.30 8.00 8.00 -1.26 -4.81 116.55 123.92 1kx7 n ASP 64 Ca 0.00 0.33 0.08 0.00 0.71 0.00 0.00 54.79 55.90 1kx7 n ASP 64 Cb 0.00 1.53 0.23 0.00 -0.02 0.00 0.00 41.12 42.86 1kx7 n ASP 64 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1kx7 h GLU 65 N 0.00 0.59 -0.05 -1.24 4.11 -1.98 0.26 114.58 116.27 1kx7 h GLU 65 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1kx7 h GLU 65 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1kx7 h GLU 65 CO 0.00 0.39 -0.19 -0.44 0.07 0.00 0.00 179.01 178.85 1kx7 h ASP 66 N 0.61 0.25 0.26 3.06 5.19 -1.92 -1.94 116.42 121.93 1kx7 h ASP 66 Ca 0.47 -0.63 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1kx7 h ASP 66 Cb 0.68 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1kx7 h ASP 66 CO -0.37 0.84 -0.12 0.22 -3.12 0.00 0.00 179.24 176.68 1kx7 h TYR 67 N -0.33 -0.32 -0.44 4.55 5.03 -1.66 -0.18 116.97 123.63 1kx7 h TYR 67 Ca -0.01 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1kx7 h TYR 67 Cb 0.83 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1kx7 h TYR 67 CO 0.13 -0.15 -0.06 0.87 -1.32 0.00 0.00 178.16 177.63 1kx7 h LYS 68 N -0.41 0.81 -0.80 1.82 1.57 -0.64 0.00 116.57 118.93 1kx7 h LYS 68 Ca -0.04 -0.29 0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1kx7 h LYS 68 Cb 0.31 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1kx7 h LYS 68 CO 0.06 0.91 0.52 0.00 -0.57 0.00 0.00 179.45 180.37 1kx7 h ALA 69 N 0.88 1.97 -0.06 3.86 0.00 -1.15 0.45 119.26 125.21 1kx7 h ALA 69 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1kx7 h ALA 69 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kx7 h ALA 69 CO 0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 179.25 178.89 1kx7 h ALA 70 N 1.63 0.10 -0.59 0.00 0.00 -0.29 -2.00 119.26 118.10 1kx7 h ALA 70 Ca 0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1kx7 h ALA 70 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1kx7 h ALA 70 CO -0.15 0.08 0.17 0.82 0.00 0.00 0.00 179.25 180.17 1kx7 h ILE 71 N -0.28 1.23 -0.01 0.00 2.04 -0.58 -2.61 117.51 117.30 1kx7 h ILE 71 Ca -0.01 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.92 1kx7 h ILE 71 Cb 0.86 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1kx7 h ILE 71 CO 0.05 0.31 -0.57 1.05 0.00 0.00 0.00 178.15 178.98 1kx7 h GLU 72 N 0.88 0.03 -0.66 2.37 4.11 -0.17 -2.27 114.58 118.87 1kx7 h GLU 72 Ca 0.19 -0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.80 1kx7 h GLU 72 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1kx7 h GLU 72 CO -0.01 0.59 0.47 0.35 0.07 0.00 0.00 179.01 180.49 1kx7 h PHE 73 N 0.02 0.01 0.00 2.06 3.04 -0.95 -3.31 116.94 117.81 1kx7 h PHE 73 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1kx7 h PHE 73 Cb 1.02 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1kx7 h PHE 73 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 178.31 174.97 1kx7 n MET 74 N -4.34 0.00 -2.31 1.11 2.81 -0.98 -4.96 117.12 108.45 1kx7 n MET 74 Ca 0.13 0.18 -0.03 0.00 -1.81 0.00 0.00 57.70 56.17 1kx7 n MET 74 Cb 0.73 -0.61 0.08 0.00 -0.71 0.00 0.00 33.22 32.71 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 -1.91 -1.15 -4.15 7.83 2.88 -1.07 -4.93 113.62 111.11 1kx7 n SER 75 Ca 0.00 -2.16 -0.41 0.00 -1.33 0.00 0.00 58.87 54.97 1kx7 n SER 75 Cb 0.00 0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.14 -0.56 0.00 -1.46 2.85 -0.89 -4.71 118.16 112.25 1kx7 n LYS 76 Ca -0.18 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1kx7 n LYS 76 Cb 0.84 -2.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 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 -4.89 0.03 1.32 0.58 0.00 -1.26 -4.78 120.51 111.51 1kx7 n ALA 77 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1kx7 n ALA 77 Cb 0.61 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.43 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86