#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 -0.57 -1.33 0.00 1.01 -1.26 -5.06 116.67 109.45 1kx7 s ASP -2 Ca 0.00 0.86 -0.14 0.00 0.71 0.00 0.00 52.55 53.97 1kx7 s ASP -2 Cb 0.00 1.41 -0.02 0.00 1.01 0.00 0.00 42.92 45.32 1kx7 s ASP -2 CO 0.00 -0.13 2.28 -0.11 0.21 0.00 0.00 175.17 177.42 1kx7 n LEU -1 N 4.22 6.54 -0.01 1.23 7.94 -1.26 -4.22 117.00 131.44 1kx7 n LEU -1 Ca -0.15 -3.88 0.02 0.00 -1.11 0.00 0.00 56.01 50.89 1kx7 n LEU -1 Cb 0.56 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.94 1kx7 n LEU -1 CO -0.00 0.96 -0.62 0.00 -1.11 0.00 0.00 177.39 176.62 1kx7 n GLN 1 N 5.80 0.86 -3.61 1.96 1.13 -1.26 -5.01 117.38 117.25 1kx7 n GLN 1 Ca 0.55 -0.05 -0.14 0.00 -1.94 0.00 0.00 57.00 55.42 1kx7 n GLN 1 Cb 0.36 -1.17 -0.13 0.00 0.11 0.00 0.00 30.24 29.41 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 -3.05 0.53 0.33 1.08 -1.08 -1.26 -5.04 116.67 108.18 1kx7 s ASP 2 Ca -0.03 0.42 0.12 0.00 -0.52 0.00 0.00 52.55 52.55 1kx7 s ASP 2 Cb 0.04 0.68 1.02 0.00 -1.46 0.00 0.00 42.92 43.21 1kx7 s ASP 2 CO 0.29 -0.26 1.67 0.00 0.52 0.00 0.00 175.17 177.39 1kx7 h ALA 3 N 8.28 1.85 -0.03 3.66 0.00 -1.89 0.29 119.26 131.42 1kx7 h ALA 3 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kx7 h ALA 3 Cb 1.12 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1kx7 h ALA 3 CO 0.17 -0.53 0.02 1.49 0.00 0.00 0.00 179.25 180.40 1kx7 h GLU 4 N 0.34 0.05 -0.04 0.00 4.81 -1.93 -1.54 114.58 116.26 1kx7 h GLU 4 Ca 0.70 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.85 1kx7 h GLU 4 Cb 1.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1kx7 h GLU 4 CO -0.60 0.06 -0.36 0.00 -0.73 0.00 0.00 179.01 177.37 1kx7 h ALA 5 N 0.99 1.33 0.19 2.92 0.00 -1.12 0.16 119.26 123.73 1kx7 h ALA 5 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kx7 h ALA 5 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kx7 h ALA 5 CO -0.00 0.49 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 1kx7 h ILE 6 N 0.06 0.91 -0.42 0.00 2.04 -0.40 0.18 117.51 119.88 1kx7 h ILE 6 Ca 0.01 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 1kx7 h ILE 6 Cb 0.67 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1kx7 h ILE 6 CO 0.05 0.15 -0.23 0.10 0.00 0.00 0.00 178.15 178.22 1kx7 h TYR 7 N -0.59 1.05 0.00 1.37 -0.00 -1.02 0.14 116.97 117.91 1kx7 h TYR 7 Ca -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 58.73 58.42 1kx7 h TYR 7 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.93 1kx7 h TYR 7 CO 0.03 1.06 -0.09 -0.97 -0.00 0.00 0.00 178.16 178.20 1kx7 h ASN 8 N 0.73 0.00 0.32 0.10 -1.24 -0.70 0.15 115.58 114.94 1kx7 h ASN 8 Ca 0.09 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.81 1kx7 h ASN 8 Cb 0.80 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 1kx7 h ASN 8 CO 0.07 0.09 -1.93 1.17 -1.29 0.00 0.00 177.43 175.54 1kx7 n LYS 9 N -3.27 0.65 -0.01 6.67 3.00 0.61 -4.70 118.16 121.12 1kx7 n LYS 9 Ca -0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 58.31 58.45 1kx7 n LYS 9 Cb 0.32 -1.69 -0.01 0.00 0.00 0.00 0.00 35.03 33.65 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 -2.59 1.34 -0.36 3.14 0.00 0.46 -4.65 120.51 117.84 1kx7 n ALA 10 Ca -0.21 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1kx7 n ALA 10 Cb 1.05 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.53 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 1.56 0.25 -0.09 0.00 5.66 -1.13 -3.78 114.28 116.75 1kx7 n THR 12 Ca 0.00 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.33 1kx7 n THR 12 Cb 0.40 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.13 1.17 -0.04 1.08 0.31 -1.25 -4.43 118.33 115.04 1kx7 n VAL 13 Ca 0.00 -0.15 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 1kx7 n VAL 13 Cb 0.15 -1.86 -0.01 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 h HIS 15 N -0.75 0.00 -0.34 0.00 3.86 -1.85 0.33 115.15 116.40 1kx7 h HIS 15 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1kx7 h HIS 15 Cb 0.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1kx7 h HIS 15 CO -0.07 0.27 0.21 0.77 0.86 0.00 0.00 177.93 179.97 1kx7 h SER 16 N 0.00 0.35 0.00 2.45 0.02 -1.77 -2.98 113.55 111.61 1kx7 h SER 16 Ca -0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1kx7 h SER 16 Cb 0.90 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1kx7 h SER 16 CO 0.04 0.25 -1.57 0.80 -1.14 0.00 0.00 176.83 175.21 1kx7 n MET 17 N -4.88 0.77 -0.94 3.45 0.00 -1.21 -4.82 117.12 109.48 1kx7 n MET 17 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.62 1kx7 n MET 17 Cb 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 1.96 0.80 3.89 -5.12 0.00 0.93 -5.07 105.19 102.58 1kx7 n GLY 18 Ca -0.05 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.46 4.55 -2.07 1.61 1.01 0.04 -4.44 120.40 118.64 1kx7 s VAL 19 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1kx7 s VAL 19 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1kx7 s VAL 19 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 174.80 1kx7 n ALA 20 N -1.33 -0.38 -1.12 5.51 0.00 -1.26 -0.65 120.51 121.28 1kx7 n ALA 20 Ca -0.07 0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 1kx7 n ALA 20 Cb 0.58 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.51 0.69 3.77 0.00 0.00 -1.26 -5.01 105.19 102.87 1kx7 n GLY 21 Ca -0.21 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.04 3.12 0.25 4.61 0.00 0.17 -4.99 121.76 122.88 1kx7 s ALA 22 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1kx7 s ALA 22 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1kx7 s ALA 22 CO 0.00 -0.78 1.05 -1.25 0.00 0.00 0.00 175.76 174.78 1kx7 s PRO 23 N -2.42 4.70 0.46 0.00 0.04 -1.26 -4.54 135.00 131.98 1kx7 s PRO 23 Ca 0.60 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1kx7 s PRO 23 Cb -0.35 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 30.88 1kx7 s PRO 23 CO 0.43 0.27 1.36 0.15 0.04 0.00 0.00 177.00 179.26 1kx7 s LYS 24 N -1.14 3.64 0.42 4.56 1.02 -1.26 -4.74 119.74 122.24 1kx7 s LYS 24 Ca 0.44 2.27 0.21 0.00 0.02 0.00 0.00 55.97 58.91 1kx7 s LYS 24 Cb -0.30 -2.58 1.17 0.00 -0.52 0.00 0.00 37.83 35.61 1kx7 s LYS 24 CO 0.37 -0.80 1.78 1.03 -0.92 0.00 0.00 175.35 176.81 1kx7 h SER 25 N 2.20 0.37 -1.60 2.83 0.87 -1.84 -3.12 113.55 113.27 1kx7 h SER 25 Ca -0.50 0.07 -0.43 0.00 -1.23 0.00 0.00 61.79 59.69 1kx7 h SER 25 Cb 1.27 0.01 -0.37 0.00 -0.44 0.00 0.00 62.40 62.86 1kx7 h SER 25 CO 0.61 0.08 -1.12 0.00 -0.53 0.00 0.00 176.83 175.86 1kx7 n HIS 26 N -4.55 0.08 -1.84 2.24 -0.00 -1.26 -4.77 115.22 105.11 1kx7 n HIS 26 Ca 0.25 -3.44 -0.30 0.00 -0.00 0.00 0.00 57.72 54.23 1kx7 n HIS 26 Cb 0.91 -0.21 0.06 0.00 -0.00 0.00 0.00 29.99 30.76 1kx7 n HIS 26 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kx7 s ASN 27 N -2.45 5.17 -0.14 4.39 0.01 -1.18 -5.03 114.94 115.70 1kx7 s ASN 27 Ca 0.36 1.09 0.05 0.00 -0.71 0.00 0.00 52.86 53.65 1kx7 s ASN 27 Cb 0.37 -1.83 -0.12 0.00 0.41 0.00 0.00 41.25 40.07 1kx7 s ASN 27 CO -0.05 -1.52 -0.06 0.35 -1.51 0.00 0.00 177.10 174.30 1kx7 n THR 28 N -3.11 0.87 0.21 1.60 -2.24 -1.26 -4.41 114.28 105.94 1kx7 n THR 28 Ca 0.07 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1kx7 n THR 28 Cb 0.58 -0.90 0.31 0.00 -2.10 0.00 0.00 70.33 68.22 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kx7 h ALA 29 N 0.25 0.93 0.00 6.98 0.00 -1.99 0.31 119.26 125.73 1kx7 h ALA 29 Ca -0.34 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1kx7 h ALA 29 Cb 1.63 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1kx7 h ALA 29 CO -0.02 0.20 -1.04 0.22 0.00 0.00 0.00 179.25 178.61 1kx7 h ASP 30 N 0.00 0.00 0.07 0.00 1.82 -1.97 -3.37 116.42 112.97 1kx7 h ASP 30 Ca -0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 1kx7 h ASP 30 Cb 0.93 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.88 1kx7 h ASP 30 CO 0.02 0.34 -2.30 0.79 -1.61 0.00 0.00 179.24 176.48 1kx7 n TRP 31 N -2.89 0.33 -0.34 0.28 7.02 -1.03 -4.54 117.44 116.26 1kx7 n TRP 31 Ca -0.04 0.08 -0.11 0.00 -1.02 0.00 0.00 57.50 56.41 1kx7 n TRP 31 Cb 0.71 -1.05 -0.10 0.00 -2.42 0.00 0.00 31.31 28.46 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 0.01 -0.11 0.00 -0.99 5.08 -0.55 0.20 114.58 118.23 1kx7 h GLU 32 Ca -0.52 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kx7 h GLU 32 Cb 2.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1kx7 h GLU 32 CO -0.01 -0.07 0.00 -0.35 -1.00 0.00 0.00 179.01 177.58 1kx7 n PRO 33 N -5.29 0.03 -0.12 2.33 -0.04 -1.26 -1.58 135.00 129.07 1kx7 n PRO 33 Ca 0.01 0.43 -0.25 0.00 -0.04 0.00 0.00 63.50 63.64 1kx7 n PRO 33 Cb 0.29 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.64 0.61 0.23 0.54 3.00 0.09 -4.22 116.66 115.27 1kx7 n ARG 34 Ca 0.01 0.33 0.16 0.00 -0.01 0.00 0.00 57.85 58.34 1kx7 n ARG 34 Cb 0.08 -1.58 0.74 0.00 0.00 0.00 0.00 32.46 31.69 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1kx7 h LEU 35 N -0.77 0.00 0.18 0.55 6.46 -0.39 -1.49 115.31 119.85 1kx7 h LEU 35 Ca -0.57 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 56.87 1kx7 h LEU 35 Cb 1.61 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.55 1kx7 h LEU 35 CO -0.28 0.00 -1.52 0.00 -0.62 0.00 0.00 178.44 176.02 1kx7 h ALA 36 N 2.07 0.06 -0.01 1.25 0.00 -1.50 -3.30 119.26 117.83 1kx7 h ALA 36 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 54.91 53.91 1kx7 h ALA 36 Cb 0.26 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kx7 h ALA 36 CO 0.00 0.93 -0.00 0.87 0.00 0.00 0.00 179.25 181.05 1kx7 h LYS 37 N 0.11 0.02 0.00 0.00 1.79 -1.61 -3.50 116.57 113.38 1kx7 h LYS 37 Ca -0.25 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1kx7 h LYS 37 Cb 2.08 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.73 1kx7 h LYS 37 CO 0.21 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 1kx7 n GLY 38 N -0.01 -0.54 1.90 3.86 0.00 -0.61 -5.04 105.19 104.74 1kx7 n GLY 38 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.05 0.23 1.61 0.31 -1.26 -3.94 118.33 115.34 1kx7 n VAL 39 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1kx7 n VAL 39 Cb 0.00 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.93 2.92 -0.04 4.52 8.00 -1.26 -2.77 116.55 124.99 1kx7 n ASP 40 Ca 0.00 -1.70 -0.09 0.00 0.71 0.00 0.00 54.79 53.71 1kx7 n ASP 40 Cb 0.03 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 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 1.09 1.16 0.08 -2.24 3.02 -1.26 -4.46 115.26 112.66 1kx7 n ASN 41 Ca 0.00 0.19 -0.09 0.00 -0.03 0.00 0.00 54.58 54.65 1kx7 n ASN 41 Cb 0.36 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.45 0.23 -1.28 3.41 -0.00 -1.72 -1.72 115.31 113.79 1kx7 h LEU 42 Ca -0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1kx7 h LEU 42 Cb 0.88 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1kx7 h LEU 42 CO -0.10 1.04 0.00 1.62 -0.00 0.00 0.00 178.44 181.00 1kx7 h VAL 43 N 0.08 0.00 0.02 1.22 3.04 -1.84 0.18 116.25 118.95 1kx7 h VAL 43 Ca -0.05 -0.10 -0.16 0.00 -1.01 0.00 0.00 66.70 65.38 1kx7 h VAL 43 Cb 1.60 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1kx7 h VAL 43 CO 0.14 0.00 -0.85 0.11 -1.01 0.00 0.00 177.57 175.96 1kx7 h LYS 44 N 0.00 0.03 -0.91 4.17 1.79 -1.58 -3.30 116.57 116.78 1kx7 h LYS 44 Ca 0.00 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1kx7 h LYS 44 Cb 0.15 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1kx7 h LYS 44 CO 0.00 1.03 0.60 0.77 -1.08 0.00 0.00 179.45 180.77 1kx7 h SER 45 N -0.90 0.98 -0.62 0.86 0.02 -0.59 0.16 113.55 113.44 1kx7 h SER 45 Ca -0.22 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1kx7 h SER 45 Cb 1.27 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1kx7 h SER 45 CO -0.10 0.66 0.32 1.62 -1.14 0.00 0.00 176.83 178.19 1kx7 h VAL 46 N 1.13 1.21 0.01 2.27 3.04 -0.85 0.65 116.25 123.70 1kx7 h VAL 46 Ca 0.37 -0.56 -0.19 0.00 -1.01 0.00 0.00 66.70 65.31 1kx7 h VAL 46 Cb 0.04 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 1kx7 h VAL 46 CO -0.11 0.23 -0.91 0.07 -1.01 0.00 0.00 177.57 175.84 1kx7 h LYS 47 N 0.85 0.03 0.00 4.17 2.10 -1.48 -1.34 116.57 120.90 1kx7 h LYS 47 Ca 0.22 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.75 1kx7 h LYS 47 Cb 0.08 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1kx7 h LYS 47 CO -0.03 0.91 -0.40 1.15 -2.00 0.00 0.00 179.45 179.08 1kx7 h THR 48 N 0.01 0.83 -1.41 0.07 2.02 -0.39 0.80 112.91 114.83 1kx7 h THR 48 Ca -0.02 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1kx7 h THR 48 Cb 1.59 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1kx7 h THR 48 CO 0.12 0.39 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1kx7 n GLY 49 N 0.55 -3.03 0.00 2.16 0.00 0.19 -4.52 105.19 100.54 1kx7 n GLY 49 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.76 0.99 7.94 -1.18 -4.82 117.00 115.17 1kx7 n LEU 50 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 1kx7 n LEU 50 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1kx7 n LEU 50 CO 0.00 0.00 0.64 0.20 -1.11 0.00 0.00 177.39 177.12 1kx7 s ASN 51 N -0.42 7.52 -1.68 1.96 -0.87 -1.26 -3.85 114.94 116.33 1kx7 s ASN 51 Ca 0.00 1.89 0.00 0.00 -1.57 0.00 0.00 52.86 53.18 1kx7 s ASN 51 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1kx7 s ASN 51 CO 0.00 0.08 0.00 0.00 -2.57 0.00 0.00 177.10 174.61 1kx7 n ALA 52 N 1.14 -0.35 -3.69 0.60 0.00 -1.26 -4.92 120.51 112.04 1kx7 n ALA 52 Ca -0.01 0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 1kx7 n ALA 52 Cb 0.48 -1.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.74 0.09 0.48 0.00 0.00 -1.25 -5.12 119.30 109.76 1kx7 s MET 53 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 55.69 56.04 1kx7 s MET 53 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 34.83 34.58 1kx7 s MET 53 CO 0.00 -0.26 1.09 -1.25 0.00 0.00 0.00 175.02 174.61 1kx7 s PRO 54 N 1.97 3.75 -0.16 4.11 0.04 -1.26 -3.10 135.00 140.34 1kx7 s PRO 54 Ca -0.01 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1kx7 s PRO 54 Cb -0.12 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1kx7 s PRO 54 CO -0.07 -0.51 1.99 -1.25 0.04 0.00 0.00 177.00 177.20 1kx7 s PRO 55 N -2.98 3.55 0.00 0.56 0.04 -1.26 -0.67 135.00 134.24 1kx7 s PRO 55 Ca 0.66 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1kx7 s PRO 55 Cb -0.22 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1kx7 s PRO 55 CO 0.27 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1kx7 n GLY 56 N 5.18 1.19 3.48 0.56 0.00 0.27 -4.69 105.19 111.18 1kx7 n GLY 56 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.53 -0.36 4.63 -0.02 0.00 0.16 -2.93 105.19 106.14 1kx7 n GLY 57 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.19 0.00 -1.72 1.61 1.56 -1.26 -4.80 117.12 108.32 1kx7 n MET 58 Ca -0.28 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.84 1kx7 n MET 58 Cb 0.67 -0.04 0.03 0.00 2.15 0.00 0.00 33.22 36.03 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 -2.90 0.08 -1.08 0.00 -2.24 -1.26 -4.38 114.28 102.49 1kx7 n THR 60 Ca 0.07 0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.87 1kx7 n THR 60 Cb 0.54 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kx7 n ASP 61 N -2.58 6.51 -4.60 3.42 2.03 -1.26 -4.91 116.55 115.16 1kx7 n ASP 61 Ca -0.00 -2.48 -0.42 0.00 0.52 0.00 0.00 54.79 52.41 1kx7 n ASP 61 Cb 0.01 -1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 38.95 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 3.11 5.14 0.46 0.00 2.01 -1.26 -4.91 115.64 120.19 1kx7 s THR 63 Ca 0.33 0.96 0.32 0.00 0.31 0.00 0.00 61.69 63.61 1kx7 s THR 63 Cb -0.13 -3.83 0.51 0.00 0.01 0.00 0.00 72.50 69.06 1kx7 s THR 63 CO 0.15 0.25 1.67 0.44 -0.69 0.00 0.00 174.62 176.43 1kx7 h ASP 64 N 7.11 0.21 -0.20 3.53 5.19 -1.96 0.38 116.42 130.68 1kx7 h ASP 64 Ca -0.37 0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.15 1kx7 h ASP 64 Cb 1.17 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 1kx7 h ASP 64 CO 0.75 -0.08 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.27 1kx7 h GLU 65 N 0.12 -0.08 0.00 3.56 5.08 -1.99 0.19 114.58 121.46 1kx7 h GLU 65 Ca 0.76 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.99 1kx7 h GLU 65 Cb 2.50 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.74 1kx7 h GLU 65 CO -0.28 -0.05 -0.63 -0.44 -1.00 0.00 0.00 179.01 176.60 1kx7 h ASP 66 N -0.08 0.00 0.25 1.42 3.32 -0.76 -1.48 116.42 119.10 1kx7 h ASP 66 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1kx7 h ASP 66 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1kx7 h ASP 66 CO -0.23 0.63 -0.12 0.22 -1.72 0.00 0.00 179.24 178.02 1kx7 h TYR 67 N 0.00 -0.32 -0.17 4.55 5.03 -0.79 0.37 116.97 125.65 1kx7 h TYR 67 Ca -0.01 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1kx7 h TYR 67 Cb 1.17 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 1kx7 h TYR 67 CO 0.00 -0.16 -0.02 0.87 -1.32 0.00 0.00 178.16 177.54 1kx7 h LYS 68 N -0.39 0.31 -1.05 1.82 1.57 -0.64 -1.21 116.57 116.98 1kx7 h LYS 68 Ca -0.03 -0.11 0.30 0.00 -1.87 0.00 0.00 60.65 58.94 1kx7 h LYS 68 Cb 0.30 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1kx7 h LYS 68 CO 0.06 0.55 0.77 0.00 -0.57 0.00 0.00 179.45 180.26 1kx7 h ALA 69 N 0.75 2.98 0.14 3.86 0.00 -1.14 0.44 119.26 126.28 1kx7 h ALA 69 Ca 0.05 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1kx7 h ALA 69 Cb 0.42 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kx7 h ALA 69 CO 0.01 -1.31 -1.56 0.00 0.00 0.00 0.00 179.25 176.39 1kx7 h ALA 70 N 1.44 0.23 0.06 0.00 0.00 -0.21 -3.04 119.26 117.75 1kx7 h ALA 70 Ca 0.50 -1.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1kx7 h ALA 70 Cb 2.04 0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1kx7 h ALA 70 CO -0.01 1.10 -0.54 0.82 0.00 0.00 0.00 179.25 180.62 1kx7 h ILE 71 N 0.08 1.54 -0.94 0.00 2.04 -0.44 -3.32 117.51 116.46 1kx7 h ILE 71 Ca -0.26 -2.40 0.22 0.00 1.00 0.00 0.00 64.86 63.42 1kx7 h ILE 71 Cb 2.04 3.15 -0.07 0.00 -0.74 0.00 0.00 36.82 41.19 1kx7 h ILE 71 CO 0.17 0.63 0.62 1.05 0.00 0.00 0.00 178.15 180.62 1kx7 h GLU 72 N -0.72 0.35 -1.02 2.37 -0.00 -0.34 -1.35 114.58 113.87 1kx7 h GLU 72 Ca -0.11 -0.02 0.34 0.00 -0.00 0.00 0.00 59.36 59.56 1kx7 h GLU 72 Cb 1.32 -0.08 -0.15 0.00 -0.00 0.00 0.00 28.75 29.84 1kx7 h GLU 72 CO 0.03 0.23 0.58 0.35 -0.00 0.00 0.00 179.01 180.21 1kx7 h PHE 73 N 0.36 0.90 0.00 2.06 3.04 -1.63 -3.13 116.94 118.54 1kx7 h PHE 73 Ca 0.49 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.48 1kx7 h PHE 73 Cb 1.31 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1kx7 h PHE 73 CO -0.00 -0.20 0.00 -1.33 -2.02 0.00 0.00 178.31 174.76 1kx7 n MET 74 N -5.04 0.00 -1.37 1.11 2.81 -0.51 -4.93 117.12 109.19 1kx7 n MET 74 Ca 0.33 0.42 -0.05 0.00 -1.81 0.00 0.00 57.70 56.58 1kx7 n MET 74 Cb 1.04 -0.92 -0.02 0.00 -0.71 0.00 0.00 33.22 32.61 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 -2.00 -1.04 -4.04 7.83 2.88 -1.19 -4.99 113.62 111.07 1kx7 n SER 75 Ca 0.00 -1.93 -0.37 0.00 -1.33 0.00 0.00 58.87 55.23 1kx7 n SER 75 Cb 0.00 0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.36 -0.46 0.04 -1.46 2.85 -1.19 -4.79 118.16 112.79 1kx7 n LYS 76 Ca -0.24 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 1kx7 n LYS 76 Cb 0.72 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 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 -4.38 2.54 -1.18 0.58 0.00 -1.26 -4.62 120.51 112.19 1kx7 n ALA 77 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1kx7 n ALA 77 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86