#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 3.39 0.58 2.12 2.20 -1.26 -4.94 119.74 121.84 2kr1 s LYS 2 Ca 0.00 -0.16 0.37 0.00 -0.36 0.00 0.00 55.97 55.82 2kr1 s LYS 2 Cb 0.00 -3.93 1.68 0.00 -1.51 0.00 0.00 37.83 34.07 2kr1 s LYS 2 CO 0.00 -1.06 2.10 0.07 -0.36 0.00 0.00 175.35 176.10 2kr1 h ARG 3 N 8.91 0.00 -0.05 4.03 0.11 -2.05 -2.35 114.38 122.97 2kr1 h ARG 3 Ca -0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 2kr1 h ARG 3 Cb 1.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 2kr1 h ARG 3 CO 0.93 0.01 -0.05 0.00 0.10 0.00 0.00 179.97 180.96 2kr1 h ALA 4 N 1.99 0.08 -0.62 0.08 0.00 -1.99 -0.82 119.26 117.98 2kr1 h ALA 4 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2kr1 h ALA 4 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2kr1 h ALA 4 CO 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.28 2kr1 h ALA 5 N 0.56 1.14 -0.22 0.00 0.00 -1.93 -2.58 119.26 116.22 2kr1 h ALA 5 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kr1 h ALA 5 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kr1 h ALA 5 CO 0.01 0.59 0.11 0.00 0.00 0.00 0.00 179.25 179.96 2kr1 h ALA 6 N 1.27 0.29 -0.09 0.00 0.00 -1.41 -1.08 119.26 118.24 2kr1 h ALA 6 Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kr1 h ALA 6 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kr1 h ALA 6 CO -0.00 -0.15 -0.04 -0.22 0.00 0.00 0.00 179.25 178.83 2kr1 h LYS 7 N 0.23 -0.04 -0.08 0.00 1.63 -1.05 -2.13 116.57 115.14 2kr1 h LYS 7 Ca 0.08 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2kr1 h LYS 7 Cb 0.12 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2kr1 h LYS 7 CO -0.01 -0.03 -0.32 0.45 -3.45 0.00 0.00 179.45 176.09 2kr1 h HIS 8 N -0.04 0.17 -0.25 1.91 3.86 -1.41 -2.21 115.15 117.17 2kr1 h HIS 8 Ca 0.05 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2kr1 h HIS 8 Cb 0.11 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2kr1 h HIS 8 CO -0.16 0.47 0.03 -0.07 0.86 0.00 0.00 177.93 179.06 2kr1 h LEU 9 N 0.14 0.41 -1.11 2.43 -0.00 -0.92 -0.85 115.31 115.40 2kr1 h LEU 9 Ca 0.02 -0.28 0.06 0.00 -0.00 0.00 0.00 57.88 57.68 2kr1 h LEU 9 Cb 0.65 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2kr1 h LEU 9 CO 0.05 0.58 0.60 0.40 -0.00 0.00 0.00 178.44 180.08 2kr1 h ILE 10 N 0.23 1.09 0.00 1.22 2.04 -1.13 -1.67 117.51 119.29 2kr1 h ILE 10 Ca 0.08 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2kr1 h ILE 10 Cb 0.36 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2kr1 h ILE 10 CO 0.01 0.20 -0.47 -0.33 0.00 0.00 0.00 178.15 177.55 2kr1 h GLU 11 N 1.08 0.00 -0.18 2.37 5.08 -1.11 0.10 114.58 121.92 2kr1 h GLU 11 Ca 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2kr1 h GLU 11 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kr1 h GLU 11 CO -0.14 0.47 -0.16 0.00 -1.00 0.00 0.00 179.01 178.18 2kr1 h ARG 12 N 0.00 0.43 -0.58 2.33 2.47 -0.27 -1.18 114.38 117.57 2kr1 h ARG 12 Ca -0.00 -0.22 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2kr1 h ARG 12 Cb 0.90 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 2kr1 h ARG 12 CO 0.06 0.78 0.03 1.88 0.56 0.00 0.00 179.97 183.29 2kr1 h TYR 13 N 0.09 1.09 -0.46 3.04 0.05 -1.32 -2.03 116.97 117.43 2kr1 h TYR 13 Ca 0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 2kr1 h TYR 13 Cb 0.69 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2kr1 h TYR 13 CO 0.08 0.96 0.26 -0.92 -1.05 0.00 0.00 178.16 177.49 2kr1 h TYR 14 N 0.90 0.62 -0.69 4.88 3.20 -0.96 -1.20 116.97 123.72 2kr1 h TYR 14 Ca 0.17 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2kr1 h TYR 14 Cb 0.50 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2kr1 h TYR 14 CO 0.04 0.45 0.46 1.25 -1.64 0.00 0.00 178.16 178.72 2kr1 h HIS 15 N 0.61 0.81 -0.00 -3.82 2.76 -1.17 -1.78 115.15 112.56 2kr1 h HIS 15 Ca 0.16 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2kr1 h HIS 15 Cb 0.03 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 2kr1 h HIS 15 CO -0.02 0.48 -0.47 0.37 -1.30 0.00 0.00 177.93 176.98 2kr1 h GLN 16 N 0.84 0.01 0.14 5.26 4.15 -0.47 -0.82 115.11 124.22 2kr1 h GLN 16 Ca 0.27 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.35 2kr1 h GLN 16 Cb 0.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 2kr1 h GLN 16 CO -0.08 0.48 -1.75 -0.07 -1.93 0.00 0.00 178.83 175.48 2kr1 h LEU 17 N 0.01 0.47 0.03 -2.39 -0.00 -1.06 0.60 115.31 112.97 2kr1 h LEU 17 Ca -0.00 -0.77 -0.24 0.00 -0.00 0.00 0.00 57.88 56.86 2kr1 h LEU 17 Cb 0.83 -0.15 0.02 0.00 -0.00 0.00 0.00 40.66 41.36 2kr1 h LEU 17 CO 0.06 1.66 -0.97 0.71 -0.00 0.00 0.00 178.44 179.91 2kr1 h THR 18 N 0.08 1.33 0.00 0.22 1.35 -1.34 -3.40 112.91 111.15 2kr1 h THR 18 Ca -0.33 -2.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.24 2kr1 h THR 18 Cb 2.06 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 71.01 2kr1 h THR 18 CO 0.15 0.68 -0.53 -0.62 -0.25 0.00 0.00 175.52 174.95 2kr1 n GLU 19 N -3.95 0.11 0.00 4.72 1.02 -0.51 -5.01 120.64 117.02 2kr1 n GLU 19 Ca -0.12 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2kr1 n GLU 19 Cb 0.85 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kr1 n GLY 20 N 2.96 0.16 0.00 0.62 0.00 -0.43 -3.96 105.19 104.54 2kr1 n GLY 20 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.73 3.58 0.00 0.00 -1.26 -4.96 105.19 104.27 2kr1 n GLY 22 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 1.86 2.80 0.06 1.61 4.05 -1.26 -4.86 115.26 119.52 2kr1 n ASN 23 Ca 0.00 -0.15 -0.09 0.00 0.45 0.00 0.00 54.58 54.79 2kr1 n ASN 23 Cb 0.00 -1.57 0.02 0.00 1.23 0.00 0.00 39.78 39.46 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 17.32 0.35 -2.96 1.20 4.11 -1.93 -3.33 114.58 129.33 2kr1 h GLU 24 Ca -0.33 -0.31 -0.72 0.00 0.07 0.00 0.00 59.36 58.08 2kr1 h GLU 24 Cb 1.25 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 2kr1 h GLU 24 CO 1.06 0.96 2.95 0.00 0.07 0.00 0.00 179.01 184.04 2kr1 n ALA 25 N -2.50 6.83 -3.64 1.06 0.00 -1.26 -4.22 120.51 116.78 2kr1 n ALA 25 Ca -0.04 -3.90 -0.35 0.00 0.00 0.00 0.00 53.44 49.15 2kr1 n ALA 25 Cb 0.73 -3.07 -0.14 0.00 0.00 0.00 0.00 19.45 16.96 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 4.74 4.76 -3.58 0.00 -2.24 -1.26 -4.61 114.28 112.09 2kr1 n THR 27 Ca -0.18 -3.66 -0.21 0.00 -2.27 0.00 0.00 64.05 57.74 2kr1 n THR 27 Cb 0.50 -2.17 -0.15 0.00 -2.10 0.00 0.00 70.33 66.41 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2kr1 s ASN 28 N 0.89 1.52 0.50 3.42 2.47 -1.26 -5.02 114.94 117.46 2kr1 s ASN 28 Ca 0.59 -0.19 0.22 0.00 0.42 0.00 0.00 52.86 53.90 2kr1 s ASN 28 Cb 0.21 0.12 1.30 0.00 -1.45 0.00 0.00 41.25 41.42 2kr1 s ASN 28 CO -0.09 -0.31 2.05 1.05 -3.72 0.00 0.00 177.10 176.08 2kr1 h GLU 29 N 8.37 0.00 -1.44 0.43 4.11 -1.87 -3.05 114.58 121.13 2kr1 h GLU 29 Ca -0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.01 2kr1 h GLU 29 Cb 1.14 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.27 2kr1 h GLU 29 CO 0.24 0.14 0.34 1.19 0.07 0.00 0.00 179.01 180.99 2kr1 n PHE 30 N -3.94 1.33 -3.71 2.06 3.72 -1.26 -4.57 117.46 111.09 2kr1 n PHE 30 Ca -0.02 -1.65 -0.13 0.00 -0.05 0.00 0.00 57.45 55.60 2kr1 n PHE 30 Cb 0.23 -0.81 -0.09 0.00 -0.94 0.00 0.00 39.48 37.87 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 0.27 3.18 0.00 0.00 0.00 0.19 -3.85 121.76 121.56 2kr1 s ALA 32 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kr1 s ALA 32 Cb -0.03 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2kr1 s ALA 32 CO 0.00 -0.83 0.00 0.43 0.00 0.00 0.00 175.76 175.37 2kr1 n SER 33 N -2.68 -0.66 -4.87 0.00 7.64 -1.25 -4.11 113.62 107.69 2kr1 n SER 33 Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 2kr1 n SER 33 Cb 0.57 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 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 3.33 0.14 -0.51 0.00 0.11 -1.82 -2.48 132.00 130.78 2kr1 h PRO 35 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kr1 h PRO 35 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kr1 h PRO 35 CO 0.68 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 2kr1 n THR 36 N -4.48 0.63 -4.23 -1.15 -2.24 -1.26 -4.86 114.28 96.70 2kr1 n THR 36 Ca 0.03 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 2kr1 n THR 36 Cb 0.26 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.64 3.21 0.02 4.78 5.36 -0.93 -4.65 117.98 124.12 2kr1 s PHE 37 Ca 0.19 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.30 2kr1 s PHE 37 Cb 0.12 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.85 2kr1 s PHE 37 CO 0.10 0.33 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.67 2kr1 s LEU 38 N -0.34 3.46 -0.14 6.12 2.01 -1.26 -4.95 118.68 123.57 2kr1 s LEU 38 Ca 0.08 -0.06 -0.29 0.00 0.01 0.00 0.00 54.13 53.87 2kr1 s LEU 38 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 46.19 44.00 2kr1 s LEU 38 CO 0.02 0.26 1.82 -0.13 1.01 0.00 0.00 176.35 179.33 2kr1 s ARG 39 N -1.69 3.80 0.29 1.70 1.81 -1.26 -5.00 118.95 118.59 2kr1 s ARG 39 Ca 0.20 2.03 0.09 0.00 -1.72 0.00 0.00 55.73 56.33 2kr1 s ARG 39 Cb -0.11 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.22 2kr1 s ARG 39 CO 0.11 -1.32 0.06 0.00 -0.68 0.00 0.00 175.30 173.48 2kr1 s MET 40 N 4.87 2.40 0.91 3.54 0.23 -1.26 -5.15 119.30 124.84 2kr1 s MET 40 Ca 0.81 -1.41 -0.12 0.00 -1.03 0.00 0.00 55.69 53.95 2kr1 s MET 40 Cb -0.32 -2.21 0.13 0.00 -1.53 0.00 0.00 34.83 30.90 2kr1 s MET 40 CO 0.33 0.30 1.11 -0.51 -2.03 0.00 0.00 175.02 174.22 2kr1 s ASP 41 N -3.74 3.48 0.24 -1.18 1.01 -1.26 -4.84 116.67 110.37 2kr1 s ASP 41 Ca 0.33 1.22 0.05 0.00 0.71 0.00 0.00 52.55 54.87 2kr1 s ASP 41 Cb -0.05 -1.88 0.25 0.00 1.01 0.00 0.00 42.92 42.24 2kr1 s ASP 41 CO 0.21 -2.60 1.56 0.78 0.21 0.00 0.00 175.17 175.33 2kr1 h ASN 42 N -1.53 0.22 0.21 0.27 2.35 -2.00 0.11 115.58 115.21 2kr1 h ASN 42 Ca -0.51 -0.13 -0.17 0.00 -0.55 0.00 0.00 56.30 54.95 2kr1 h ASN 42 Cb 1.31 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 2kr1 h ASN 42 CO 0.58 0.78 -0.64 0.78 -1.65 0.00 0.00 177.43 177.28 2kr1 h ASN 43 N 0.14 0.48 0.07 5.81 4.21 -1.99 -1.32 115.58 122.97 2kr1 h ASN 43 Ca -0.01 -0.29 -0.10 0.00 1.21 0.00 0.00 56.30 57.12 2kr1 h ASN 43 Cb 1.13 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 2kr1 h ASN 43 CO 0.09 1.00 -0.31 0.00 -1.29 0.00 0.00 177.43 176.92 2kr1 h ALA 44 N 1.00 1.14 0.00 -0.83 0.00 -1.86 -1.85 119.26 116.86 2kr1 h ALA 44 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2kr1 h ALA 44 Cb 1.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kr1 h ALA 44 CO 0.11 0.55 -0.68 0.00 0.00 0.00 0.00 179.25 179.24 2kr1 h ALA 45 N 1.36 0.78 -0.22 0.00 0.00 -0.68 -0.89 119.26 119.61 2kr1 h ALA 45 Ca 0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2kr1 h ALA 45 Cb 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kr1 h ALA 45 CO 0.05 0.84 -0.26 0.00 0.00 0.00 0.00 179.25 179.88 2kr1 h ALA 46 N 1.32 0.33 -0.35 0.00 0.00 -1.01 0.12 119.26 119.68 2kr1 h ALA 46 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kr1 h ALA 46 Cb 1.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2kr1 h ALA 46 CO 0.09 0.32 0.22 0.82 0.00 0.00 0.00 179.25 180.70 2kr1 h ILE 47 N 0.27 1.06 -0.07 0.00 1.08 -1.30 -2.79 117.51 115.75 2kr1 h ILE 47 Ca 0.03 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 64.27 2kr1 h ILE 47 Cb 0.83 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2kr1 h ILE 47 CO 0.06 0.08 -0.31 0.50 -0.69 0.00 0.00 178.15 177.79 2kr1 h LYS 48 N 0.44 0.13 -0.50 2.37 1.63 -1.12 -0.81 116.57 118.72 2kr1 h LYS 48 Ca 0.13 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2kr1 h LYS 48 Cb -0.02 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2kr1 h LYS 48 CO -0.05 0.44 0.32 0.00 -3.45 0.00 0.00 179.45 176.71 2kr1 h ALA 49 N 1.57 0.63 -0.15 5.00 0.00 -0.75 -0.92 119.26 124.63 2kr1 h ALA 49 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2kr1 h ALA 49 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kr1 h ALA 49 CO 0.04 0.05 -0.47 -0.07 0.00 0.00 0.00 179.25 178.81 2kr1 h LEU 50 N 0.65 0.42 0.30 0.00 -0.00 -1.17 -1.49 115.31 114.02 2kr1 h LEU 50 Ca 0.19 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2kr1 h LEU 50 Cb -0.05 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.49 2kr1 h LEU 50 CO -0.05 0.83 -0.19 -0.33 -0.00 0.00 0.00 178.44 178.69 2kr1 h GLU 51 N 0.31 -0.45 0.00 1.13 4.39 -0.76 -2.37 114.58 116.83 2kr1 h GLU 51 Ca 0.02 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2kr1 h GLU 51 Cb 0.94 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2kr1 h GLU 51 CO 0.08 -0.30 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.22 2kr1 h LEU 52 N -0.47 0.00 0.11 1.33 3.38 -1.20 -2.46 115.31 116.01 2kr1 h LEU 52 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kr1 h LEU 52 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kr1 h LEU 52 CO 0.03 0.34 -0.05 0.22 0.09 0.00 0.00 178.44 179.06 2kr1 h TYR 53 N 0.00 -0.14 -0.00 1.13 3.20 -1.17 -0.31 116.97 119.68 2kr1 h TYR 53 Ca -0.00 -0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.64 2kr1 h TYR 53 Cb 0.92 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2kr1 h TYR 53 CO 0.00 0.12 -0.94 1.57 -1.64 0.00 0.00 178.16 177.28 2kr1 h LYS 54 N -0.40 0.41 0.00 1.82 2.10 -1.33 -2.99 116.57 116.18 2kr1 h LYS 54 Ca -0.02 -0.44 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2kr1 h LYS 54 Cb 0.33 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2kr1 h LYS 54 CO 0.03 1.10 -0.32 0.44 -2.00 0.00 0.00 179.45 178.69 2kr1 n ILE 55 N -3.74 0.27 -3.39 0.07 -5.35 -0.94 -4.98 119.36 101.29 2kr1 n ILE 55 Ca -0.07 -0.16 -0.19 0.00 -0.27 0.00 0.00 62.75 62.06 2kr1 n ILE 55 Cb 0.83 -0.23 0.06 0.00 -1.74 0.00 0.00 39.64 38.56 2kr1 n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kr1 n ASN 56 N -1.90 -5.38 -3.84 7.28 3.02 -0.26 -5.01 115.26 109.17 2kr1 n ASN 56 Ca 0.05 -0.77 -0.30 0.00 -0.03 0.00 0.00 54.58 53.53 2kr1 n ASN 56 Cb 0.40 -4.76 0.23 0.00 -0.61 0.00 0.00 39.78 35.03 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kr1 s ALA 57 N -3.42 1.16 -0.54 5.41 0.00 -0.40 -4.88 121.76 119.08 2kr1 s ALA 57 Ca 0.37 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 2kr1 s ALA 57 Cb -0.07 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 2kr1 s ALA 57 CO 0.77 -3.25 2.30 0.15 0.00 0.00 0.00 175.76 175.73 2kr1 s LYS 58 N -5.63 2.16 -0.18 0.00 -0.14 -1.26 -4.95 119.74 109.74 2kr1 s LYS 58 Ca 0.73 1.16 -0.18 0.00 -1.36 0.00 0.00 55.97 56.32 2kr1 s LYS 58 Cb -0.07 -4.57 -0.03 0.00 -1.68 0.00 0.00 37.83 31.48 2kr1 s LYS 58 CO 0.55 -3.28 0.52 -1.17 -0.76 0.00 0.00 175.35 171.21 2kr1 s LEU 59 N 11.82 4.17 0.00 3.17 2.96 -1.26 -4.96 118.68 134.58 2kr1 s LEU 59 Ca 0.91 0.71 0.13 0.00 -0.22 0.00 0.00 54.13 55.66 2kr1 s LEU 59 Cb -0.16 -2.72 0.50 0.00 0.50 0.00 0.00 46.19 44.31 2kr1 s LEU 59 CO 0.23 -0.15 1.36 0.00 -1.32 0.00 0.00 176.35 176.47 2kr1 s ASP 61 N -1.25 7.24 0.27 0.00 1.11 -1.26 -5.00 116.67 117.78 2kr1 s ASP 61 Ca 0.22 2.28 -0.30 0.00 0.18 0.00 0.00 52.55 54.94 2kr1 s ASP 61 Cb 0.12 -2.63 -0.13 0.00 1.07 0.00 0.00 42.92 41.34 2kr1 s ASP 61 CO 0.17 -0.17 1.28 -2.65 1.18 0.00 0.00 175.17 174.98 2kr1 n PRO 62 N 1.24 1.84 -3.98 8.23 -0.02 -1.26 -5.02 135.00 136.03 2kr1 n PRO 62 Ca -0.01 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 2kr1 n PRO 62 Cb 0.45 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 2kr1 n PRO 62 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2kr1 s HIS 63 N -0.50 3.42 -2.00 6.00 3.76 -1.26 -5.26 115.29 119.44 2kr1 s HIS 63 Ca 0.64 0.35 0.13 0.00 -0.15 0.00 0.00 55.06 56.02 2kr1 s HIS 63 Cb -0.66 -1.97 0.77 0.00 1.11 0.00 0.00 32.58 31.82 2kr1 s HIS 63 CO 0.55 0.51 1.19 -2.30 -0.85 0.00 0.00 174.74 173.84