#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 s LYS 2 N 0.00 3.65 0.14 2.12 -0.14 -1.26 -4.95 119.74 119.30 2kr1 s LYS 2 Ca 0.00 -1.73 0.01 0.00 -1.36 0.00 0.00 55.97 52.88 2kr1 s LYS 2 Cb 0.00 -5.02 0.03 0.00 -1.68 0.00 0.00 37.83 31.16 2kr1 s LYS 2 CO 0.00 -1.85 0.19 0.54 -0.76 0.00 0.00 175.35 173.46 2kr1 n ARG 3 N 6.89 0.61 -0.22 1.68 1.74 -1.26 -4.75 116.66 121.35 2kr1 n ARG 3 Ca 0.27 -0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 56.67 2kr1 n ARG 3 Cb 0.49 -0.11 -0.09 0.00 -1.02 0.00 0.00 32.46 31.73 2kr1 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kr1 h ALA 4 N -0.21 -0.65 -0.58 7.54 0.00 -1.99 -0.07 119.26 123.29 2kr1 h ALA 4 Ca -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kr1 h ALA 4 Cb 0.24 1.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2kr1 h ALA 4 CO 0.07 -1.00 0.25 0.00 0.00 0.00 0.00 179.25 178.57 2kr1 h ALA 5 N 0.21 1.34 -0.24 0.00 0.00 -1.99 -0.99 119.26 117.59 2kr1 h ALA 5 Ca 0.11 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2kr1 h ALA 5 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kr1 h ALA 5 CO -0.70 0.50 -0.49 0.00 0.00 0.00 0.00 179.25 178.56 2kr1 h ALA 6 N 1.44 0.70 -0.31 0.00 0.00 -1.65 -2.02 119.26 117.43 2kr1 h ALA 6 Ca 0.20 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2kr1 h ALA 6 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kr1 h ALA 6 CO -0.02 0.67 -0.50 0.87 0.00 0.00 0.00 179.25 180.27 2kr1 h LYS 7 N 0.50 0.89 -0.45 0.00 1.79 -0.59 -1.34 116.57 117.37 2kr1 h LYS 7 Ca 0.02 -0.54 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 2kr1 h LYS 7 Cb 1.03 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2kr1 h LYS 7 CO 0.10 1.18 0.18 0.45 -1.08 0.00 0.00 179.45 180.28 2kr1 h HIS 8 N 0.68 0.63 -0.21 -1.35 3.86 -1.14 -0.96 115.15 116.65 2kr1 h HIS 8 Ca 0.03 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 2kr1 h HIS 8 Cb 1.11 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 2kr1 h HIS 8 CO 0.07 0.49 -0.57 -0.07 0.86 0.00 0.00 177.93 178.71 2kr1 h LEU 9 N 0.63 0.74 -0.75 2.43 -0.00 -1.12 0.12 115.31 117.37 2kr1 h LEU 9 Ca 0.16 -0.41 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 2kr1 h LEU 9 Cb 0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2kr1 h LEU 9 CO -0.02 1.15 0.22 0.40 -0.00 0.00 0.00 178.44 180.20 2kr1 h ILE 10 N 0.51 1.26 -0.47 1.22 2.04 -0.87 -1.76 117.51 119.44 2kr1 h ILE 10 Ca 0.01 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 2kr1 h ILE 10 Cb 1.14 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2kr1 h ILE 10 CO 0.11 0.37 -0.03 -0.33 0.00 0.00 0.00 178.15 178.27 2kr1 h GLU 11 N 1.12 0.79 0.06 2.37 3.07 -1.05 0.05 114.58 120.99 2kr1 h GLU 11 Ca 0.24 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2kr1 h GLU 11 Cb 0.33 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2kr1 h GLU 11 CO -0.01 0.82 -0.03 0.00 -1.40 0.00 0.00 179.01 178.40 2kr1 h ARG 12 N 0.73 -0.08 -0.33 2.33 2.47 -0.35 -1.19 114.38 117.97 2kr1 h ARG 12 Ca 0.14 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.72 2kr1 h ARG 12 Cb 0.49 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2kr1 h ARG 12 CO 0.03 -0.03 -0.35 1.88 0.56 0.00 0.00 179.97 182.05 2kr1 h TYR 13 N -0.10 0.98 0.26 3.04 0.05 -1.30 -1.27 116.97 118.63 2kr1 h TYR 13 Ca -0.01 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.46 2kr1 h TYR 13 Cb 0.08 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2kr1 h TYR 13 CO -0.07 1.09 -0.13 -0.92 -1.05 0.00 0.00 178.16 177.08 2kr1 h TYR 14 N 0.59 -0.33 0.00 4.88 3.20 -0.91 -1.11 116.97 123.29 2kr1 h TYR 14 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kr1 h TYR 14 Cb 0.94 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2kr1 h TYR 14 CO 0.07 -0.19 0.00 0.45 -1.64 0.00 0.00 178.16 176.85 2kr1 h HIS 15 N -0.38 0.00 -0.42 -3.82 3.86 -1.31 -0.96 115.15 112.13 2kr1 h HIS 15 Ca -0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 2kr1 h HIS 15 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2kr1 h HIS 15 CO -0.05 0.00 -0.03 0.37 0.86 0.00 0.00 177.93 179.08 2kr1 h GLN 16 N 0.00 0.77 0.00 2.45 4.15 -0.62 0.99 115.11 122.85 2kr1 h GLN 16 Ca 0.00 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.04 2kr1 h GLN 16 Cb 0.61 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2kr1 h GLN 16 CO 0.00 0.86 -0.57 -0.07 -1.93 0.00 0.00 178.83 177.12 2kr1 h LEU 17 N 0.60 0.00 0.00 -2.39 -0.00 -0.52 0.05 115.31 113.04 2kr1 h LEU 17 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 2kr1 h LEU 17 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2kr1 h LEU 17 CO 0.03 0.57 -0.91 0.35 -0.00 0.00 0.00 178.44 178.47 2kr1 n THR 18 N -3.28 1.46 -0.04 0.22 -2.24 -0.43 -4.43 114.28 105.54 2kr1 n THR 18 Ca 0.01 0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 2kr1 n THR 18 Cb 0.74 -2.28 -0.13 0.00 -2.10 0.00 0.00 70.33 66.56 2kr1 n THR 18 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kr1 h GLU 19 N -1.00 0.16 0.00 -0.78 4.39 -1.32 -3.46 114.58 112.57 2kr1 h GLU 19 Ca -0.12 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2kr1 h GLU 19 Cb 0.84 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2kr1 h GLU 19 CO -0.07 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.32 2kr1 n GLY 20 N 1.73 1.19 0.00 -3.84 0.00 0.19 -4.21 105.19 100.25 2kr1 n GLY 20 Ca -0.31 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kr1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kr1 n GLY 22 N 0.00 1.05 3.56 0.00 0.00 -1.26 -4.97 105.19 103.57 2kr1 n GLY 22 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 2kr1 n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kr1 n ASN 23 N 2.04 2.63 -0.02 1.61 4.05 -1.26 -4.89 115.26 119.41 2kr1 n ASN 23 Ca 0.00 0.62 -0.09 0.00 0.45 0.00 0.00 54.58 55.56 2kr1 n ASN 23 Cb 0.00 -1.31 0.06 0.00 1.23 0.00 0.00 39.78 39.77 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 2kr1 h GLU 24 N 11.18 0.63 -1.80 1.20 4.11 -1.93 -3.21 114.58 124.75 2kr1 h GLU 24 Ca -0.37 -0.35 -0.51 0.00 0.07 0.00 0.00 59.36 58.21 2kr1 h GLU 24 Cb 1.30 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.38 2kr1 h GLU 24 CO 0.99 0.96 0.52 0.00 0.07 0.00 0.00 179.01 181.54 2kr1 n ALA 25 N -2.52 6.14 -1.59 1.06 0.00 -1.26 -4.80 120.51 117.55 2kr1 n ALA 25 Ca -0.02 -2.88 -0.30 0.00 0.00 0.00 0.00 53.44 50.23 2kr1 n ALA 25 Cb 0.55 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 18.16 2kr1 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kr1 n THR 27 N -3.27 -0.50 -3.59 0.00 5.66 -1.26 -4.99 114.28 106.33 2kr1 n THR 27 Ca 0.07 -4.01 -0.02 0.00 -3.05 0.00 0.00 64.05 57.04 2kr1 n THR 27 Cb 0.55 -1.91 -0.05 0.00 -1.55 0.00 0.00 70.33 67.37 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2kr1 s ASN 28 N -1.03 -0.85 0.26 1.09 3.84 -1.26 -5.06 114.94 111.93 2kr1 s ASN 28 Ca 0.35 1.24 0.01 0.00 0.21 0.00 0.00 52.86 54.66 2kr1 s ASN 28 Cb 0.14 1.72 0.34 0.00 -0.55 0.00 0.00 41.25 42.89 2kr1 s ASN 28 CO -0.12 -0.18 1.68 1.05 -2.79 0.00 0.00 177.10 176.74 2kr1 h GLU 29 N 7.26 0.53 -4.37 0.43 9.09 -1.96 -3.26 114.58 122.30 2kr1 h GLU 29 Ca -0.22 -0.22 -0.75 0.00 0.05 0.00 0.00 59.36 58.22 2kr1 h GLU 29 Cb 1.15 -0.02 -0.18 0.00 -1.65 0.00 0.00 28.75 28.05 2kr1 h GLU 29 CO 0.13 0.76 1.46 1.19 0.05 0.00 0.00 179.01 182.60 2kr1 n PHE 30 N -4.10 4.47 -3.55 2.06 3.72 -1.26 -3.90 117.46 114.90 2kr1 n PHE 30 Ca -0.01 -3.24 -0.01 0.00 -0.05 0.00 0.00 57.45 54.14 2kr1 n PHE 30 Cb 0.43 -2.09 -0.05 0.00 -0.94 0.00 0.00 39.48 36.83 2kr1 n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kr1 s ALA 32 N 1.92 2.17 -0.71 0.00 0.00 -0.02 -3.21 121.76 121.91 2kr1 s ALA 32 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2kr1 s ALA 32 Cb -0.05 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kr1 s ALA 32 CO -0.17 -1.81 0.00 0.43 0.00 0.00 0.00 175.76 174.21 2kr1 n SER 33 N -3.54 -5.17 -4.44 0.00 7.64 -1.26 -3.96 113.62 102.89 2kr1 n SER 33 Ca 0.08 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.81 2kr1 n SER 33 Cb 0.54 -3.25 -0.14 0.00 -1.01 0.00 0.00 64.21 60.35 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kr1 h PRO 35 N 5.19 0.00 0.00 0.00 0.13 -1.88 -1.98 132.00 133.46 2kr1 h PRO 35 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kr1 h PRO 35 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kr1 h PRO 35 CO 0.49 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.51 2kr1 n THR 36 N -2.93 0.31 -4.89 1.56 -2.24 -1.26 -4.74 114.28 100.08 2kr1 n THR 36 Ca 0.00 0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 2kr1 n THR 36 Cb 0.24 -0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 67.63 2kr1 n THR 36 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kr1 s PHE 37 N -2.75 2.12 -0.07 4.78 5.36 -0.75 -4.71 117.98 121.96 2kr1 s PHE 37 Ca 0.18 -0.87 -0.18 0.00 -0.96 0.00 0.00 56.93 55.09 2kr1 s PHE 37 Cb 0.16 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.33 2kr1 s PHE 37 CO 0.39 -0.38 0.50 -0.51 -1.46 0.00 0.00 175.22 173.76 2kr1 s LEU 38 N 0.54 4.34 0.52 6.12 1.02 -1.26 -4.71 118.68 125.26 2kr1 s LEU 38 Ca -0.16 0.94 -0.22 0.00 0.02 0.00 0.00 54.13 54.71 2kr1 s LEU 38 Cb -0.17 -2.75 -0.07 0.00 0.02 0.00 0.00 46.19 43.23 2kr1 s LEU 38 CO 0.06 0.07 1.19 0.54 0.02 0.00 0.00 176.35 178.23 2kr1 n ARG 39 N 3.15 1.48 -4.18 1.70 5.12 -1.26 -5.06 116.66 117.60 2kr1 n ARG 39 Ca -0.08 0.54 -0.15 0.00 -1.93 0.00 0.00 57.85 56.23 2kr1 n ARG 39 Cb 0.52 -2.36 -0.11 0.00 -1.16 0.00 0.00 32.46 29.35 2kr1 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kr1 s MET 40 N -2.60 0.85 0.91 5.56 0.23 -1.26 -5.17 119.30 117.81 2kr1 s MET 40 Ca 0.70 -1.14 -0.12 0.00 -1.03 0.00 0.00 55.69 54.10 2kr1 s MET 40 Cb -0.45 -0.59 0.13 0.00 -1.53 0.00 0.00 34.83 32.39 2kr1 s MET 40 CO 0.51 0.10 1.10 0.16 -2.03 0.00 0.00 175.02 174.86 2kr1 s ASP 41 N -2.36 3.46 0.44 -1.18 -4.77 -1.26 -4.79 116.67 106.21 2kr1 s ASP 41 Ca 0.05 1.24 0.21 0.00 -3.30 0.00 0.00 52.55 50.75 2kr1 s ASP 41 Cb -0.04 -1.91 0.99 0.00 -1.09 0.00 0.00 42.92 40.88 2kr1 s ASP 41 CO 0.01 -2.61 1.89 0.78 0.70 0.00 0.00 175.17 175.93 2kr1 h ASN 42 N -1.53 0.00 -0.09 2.11 2.35 -1.97 0.59 115.58 117.04 2kr1 h ASN 42 Ca -0.51 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.16 2kr1 h ASN 42 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2kr1 h ASN 42 CO 0.58 0.26 -0.25 -1.13 -1.65 0.00 0.00 177.43 175.24 2kr1 h ASN 43 N 0.00 0.38 0.04 5.81 -1.24 -1.99 -1.47 115.58 117.11 2kr1 h ASN 43 Ca -0.00 -0.59 -0.07 0.00 0.71 0.00 0.00 56.30 56.35 2kr1 h ASN 43 Cb 0.63 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 2kr1 h ASN 43 CO 0.03 0.91 -0.19 0.00 -1.29 0.00 0.00 177.43 176.89 2kr1 h ALA 44 N 0.49 1.36 -0.00 1.57 0.00 -1.85 -2.54 119.26 118.29 2kr1 h ALA 44 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2kr1 h ALA 44 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kr1 h ALA 44 CO 0.05 0.44 -0.75 0.00 0.00 0.00 0.00 179.25 178.99 2kr1 h ALA 45 N 1.54 0.76 -0.21 0.00 0.00 -0.86 -1.42 119.26 119.06 2kr1 h ALA 45 Ca 0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2kr1 h ALA 45 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kr1 h ALA 45 CO 0.03 0.91 -0.32 0.00 0.00 0.00 0.00 179.25 179.87 2kr1 h ALA 46 N 1.23 0.33 0.29 0.00 0.00 -1.01 -0.43 119.26 119.66 2kr1 h ALA 46 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kr1 h ALA 46 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kr1 h ALA 46 CO 0.10 0.36 -0.14 0.82 0.00 0.00 0.00 179.25 180.40 2kr1 h ILE 47 N 0.28 0.73 0.00 0.00 1.08 -1.46 -2.93 117.51 115.20 2kr1 h ILE 47 Ca 0.02 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2kr1 h ILE 47 Cb 0.90 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 2kr1 h ILE 47 CO 0.07 0.01 -0.11 0.50 -0.69 0.00 0.00 178.15 177.93 2kr1 h LYS 48 N -0.40 0.00 0.26 2.37 1.63 -1.27 -0.61 116.57 118.53 2kr1 h LYS 48 Ca -0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2kr1 h LYS 48 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2kr1 h LYS 48 CO 0.06 0.11 -0.13 0.00 -3.45 0.00 0.00 179.45 176.05 2kr1 h ALA 49 N 1.89 -0.35 0.00 5.00 0.00 -0.91 -1.36 119.26 123.53 2kr1 h ALA 49 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2kr1 h ALA 49 Cb 0.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kr1 h ALA 49 CO 0.01 -0.70 -0.50 -0.07 0.00 0.00 0.00 179.25 178.00 2kr1 h LEU 50 N -0.35 0.00 0.18 0.00 -0.00 -1.14 -0.75 115.31 113.24 2kr1 h LEU 50 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kr1 h LEU 50 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2kr1 h LEU 50 CO 0.05 0.50 -0.08 -0.33 -0.00 0.00 0.00 178.44 178.58 2kr1 h GLU 51 N 0.00 -0.23 0.00 1.13 4.39 -1.05 -2.17 114.58 116.64 2kr1 h GLU 51 Ca -0.00 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2kr1 h GLU 51 Cb 0.97 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2kr1 h GLU 51 CO 0.06 0.03 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.56 2kr1 h LEU 52 N -0.48 0.00 -0.00 1.33 3.38 -1.22 -2.75 115.31 115.58 2kr1 h LEU 52 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kr1 h LEU 52 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kr1 h LEU 52 CO 0.04 0.32 -0.00 0.22 0.09 0.00 0.00 178.44 179.10 2kr1 h TYR 53 N 0.00 0.01 -0.02 1.13 3.20 -1.09 -0.63 116.97 119.57 2kr1 h TYR 53 Ca -0.00 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 2kr1 h TYR 53 Cb 0.75 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2kr1 h TYR 53 CO 0.00 0.46 -0.77 1.57 -1.64 0.00 0.00 178.16 177.78 2kr1 h LYS 54 N -0.44 0.18 0.00 1.82 2.10 -1.33 -2.42 116.57 116.48 2kr1 h LYS 54 Ca 0.00 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2kr1 h LYS 54 Cb 0.46 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2kr1 h LYS 54 CO 0.00 0.86 -0.08 0.44 -2.00 0.00 0.00 179.45 178.67 2kr1 n ILE 55 N -3.73 0.50 -3.33 0.07 -5.35 -1.04 -4.97 119.36 101.51 2kr1 n ILE 55 Ca -0.03 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.04 2kr1 n ILE 55 Cb 0.73 -0.51 0.04 0.00 -1.74 0.00 0.00 39.64 38.17 2kr1 n ILE 55 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2kr1 n ASN 56 N -2.16 -6.57 -4.85 7.28 2.85 -0.83 -5.02 115.26 105.95 2kr1 n ASN 56 Ca 0.05 -0.63 -0.29 0.00 -0.11 0.00 0.00 54.58 53.60 2kr1 n ASN 56 Cb 0.42 -4.64 0.10 0.00 1.24 0.00 0.00 39.78 36.90 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kr1 s ALA 57 N -3.28 2.34 0.07 5.20 0.00 -0.31 -4.99 121.76 120.79 2kr1 s ALA 57 Ca 0.32 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 2kr1 s ALA 57 Cb -0.07 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2kr1 s ALA 57 CO 0.78 -1.84 1.86 -1.59 0.00 0.00 0.00 175.76 174.97 2kr1 s LYS 58 N -5.42 4.15 0.05 0.00 -2.85 -1.26 -4.97 119.74 109.43 2kr1 s LYS 58 Ca 0.62 2.55 0.01 0.00 -1.00 0.00 0.00 55.97 58.15 2kr1 s LYS 58 Cb -0.13 -3.84 -0.04 0.00 -2.06 0.00 0.00 37.83 31.76 2kr1 s LYS 58 CO 0.51 -0.88 0.15 -1.17 0.10 0.00 0.00 175.35 174.07 2kr1 s LEU 59 N 3.49 4.14 -0.58 2.77 2.96 -1.26 -4.88 118.68 125.31 2kr1 s LEU 59 Ca 0.83 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2kr1 s LEU 59 Cb -0.43 -2.70 0.44 0.00 0.50 0.00 0.00 46.19 44.00 2kr1 s LEU 59 CO 0.38 0.19 1.77 0.00 -1.32 0.00 0.00 176.35 177.37 2kr1 s ASP 61 N -2.29 5.65 0.03 0.00 -4.77 -1.26 -4.92 116.67 109.11 2kr1 s ASP 61 Ca 0.59 1.36 -0.33 0.00 -3.30 0.00 0.00 52.55 50.87 2kr1 s ASP 61 Cb 0.47 -2.27 -0.12 0.00 -1.09 0.00 0.00 42.92 39.91 2kr1 s ASP 61 CO -0.05 -1.24 1.80 -0.81 0.70 0.00 0.00 175.17 175.58 2kr1 n PRO 62 N -2.97 2.37 -2.51 2.11 -0.04 -1.26 -4.96 135.00 127.75 2kr1 n PRO 62 Ca 0.07 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 63.96 2kr1 n PRO 62 Cb 0.55 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.28 2kr1 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kr1 s HIS 63 N 2.99 2.99 -2.00 0.54 3.76 -1.26 -5.27 115.29 117.04 2kr1 s HIS 63 Ca 0.86 1.13 0.12 0.00 -0.15 0.00 0.00 55.06 57.03 2kr1 s HIS 63 Cb -0.62 -3.51 0.74 0.00 1.11 0.00 0.00 32.58 30.30 2kr1 s HIS 63 CO 0.44 -1.29 1.17 -2.30 -0.85 0.00 0.00 174.74 171.91