#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 3.05 0.38 0.03 1.02 -1.26 -4.86 119.74 118.10 2kr1 s LYS 2 Ca 0.00 0.39 0.17 0.00 0.02 0.00 0.00 55.97 56.55 2kr1 s LYS 2 Cb 0.00 -4.23 0.74 0.00 -0.52 0.00 0.00 37.83 33.82 2kr1 s LYS 2 CO 0.00 -2.25 1.78 -0.09 -0.92 0.00 0.00 175.35 173.87 2kr1 h ARG 3 N 12.20 0.00 -0.24 1.68 9.65 -2.06 -1.93 114.38 133.68 2kr1 h ARG 3 Ca -0.27 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2kr1 h ARG 3 Cb 1.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2kr1 h ARG 3 CO 1.21 0.38 0.13 0.00 2.80 0.00 0.00 179.97 184.49 2kr1 h ALA 4 N 1.62 0.31 -0.52 2.80 0.00 -1.99 -2.05 119.26 119.42 2kr1 h ALA 4 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2kr1 h ALA 4 Cb 0.79 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kr1 h ALA 4 CO 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.24 2kr1 h ALA 5 N 1.02 1.22 -0.31 0.00 0.00 -1.90 -1.27 119.26 118.02 2kr1 h ALA 5 Ca 0.08 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2kr1 h ALA 5 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2kr1 h ALA 5 CO -0.01 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.91 2kr1 h ALA 6 N 1.35 0.37 0.00 0.00 0.00 -1.20 -1.73 119.26 118.05 2kr1 h ALA 6 Ca 0.17 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2kr1 h ALA 6 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kr1 h ALA 6 CO 0.00 -0.25 -0.43 0.87 0.00 0.00 0.00 179.25 179.44 2kr1 h LYS 7 N 0.30 0.00 -0.12 0.00 1.79 -1.02 -1.59 116.57 115.92 2kr1 h LYS 7 Ca 0.13 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.49 2kr1 h LYS 7 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2kr1 h LYS 7 CO -0.11 0.43 -0.43 0.45 -1.08 0.00 0.00 179.45 178.71 2kr1 h HIS 8 N 0.00 0.34 -0.01 -1.35 3.86 -0.86 -1.16 115.15 115.96 2kr1 h HIS 8 Ca -0.00 -0.10 -0.16 0.00 -1.16 0.00 0.00 60.37 58.95 2kr1 h HIS 8 Cb 0.79 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.20 2kr1 h HIS 8 CO 0.00 0.67 -0.61 -0.07 0.86 0.00 0.00 177.93 178.79 2kr1 h LEU 9 N 0.24 0.55 -1.02 2.43 -0.00 -0.98 -2.22 115.31 114.31 2kr1 h LEU 9 Ca 0.02 -0.75 -0.00 0.00 -0.00 0.00 0.00 57.88 57.15 2kr1 h LEU 9 Cb 0.86 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.31 2kr1 h LEU 9 CO 0.07 1.23 0.54 0.40 -0.00 0.00 0.00 178.44 180.68 2kr1 h ILE 10 N -0.07 1.25 -0.27 1.22 2.04 -1.29 -0.18 117.51 120.21 2kr1 h ILE 10 Ca -0.07 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.29 2kr1 h ILE 10 Cb 1.31 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2kr1 h ILE 10 CO 0.12 0.26 0.05 -0.08 0.00 0.00 0.00 178.15 178.49 2kr1 h GLU 11 N 1.24 0.14 -0.01 2.37 4.57 -1.24 -0.96 114.58 120.68 2kr1 h GLU 11 Ca 0.32 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.32 2kr1 h GLU 11 Cb -0.06 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2kr1 h GLU 11 CO -0.06 0.09 -0.77 0.00 -1.18 0.00 0.00 179.01 177.09 2kr1 h ARG 12 N 0.14 0.13 0.02 1.92 3.08 -0.82 -2.34 114.38 116.51 2kr1 h ARG 12 Ca 0.13 -0.12 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2kr1 h ARG 12 Cb 0.13 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.24 2kr1 h ARG 12 CO -0.17 0.83 -1.04 1.88 -1.07 0.00 0.00 179.97 180.40 2kr1 h TYR 13 N 0.08 1.01 0.08 3.04 0.05 -1.04 -1.79 116.97 118.40 2kr1 h TYR 13 Ca -0.02 -0.57 0.01 0.00 0.05 0.00 0.00 58.73 58.20 2kr1 h TYR 13 Cb 1.35 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2kr1 h TYR 13 CO 0.02 1.40 -0.11 -0.92 -1.05 0.00 0.00 178.16 177.50 2kr1 h TYR 14 N 0.34 -0.28 0.00 4.88 3.20 -1.16 -2.24 116.97 121.70 2kr1 h TYR 14 Ca -0.14 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2kr1 h TYR 14 Cb 1.70 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 2kr1 h TYR 14 CO 0.11 -0.17 -0.08 0.45 -1.64 0.00 0.00 178.16 176.83 2kr1 h HIS 15 N -0.23 0.00 -0.48 -3.82 3.86 -1.54 -1.08 115.15 111.87 2kr1 h HIS 15 Ca 0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2kr1 h HIS 15 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2kr1 h HIS 15 CO -0.13 0.08 0.16 0.37 0.86 0.00 0.00 177.93 179.26 2kr1 h GLN 16 N 0.00 0.71 0.13 2.45 4.15 -1.00 0.37 115.11 121.91 2kr1 h GLN 16 Ca -0.00 -0.11 -0.36 0.00 0.77 0.00 0.00 58.65 58.94 2kr1 h GLN 16 Cb 0.89 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2kr1 h GLN 16 CO 0.01 0.61 -1.95 -0.07 -1.93 0.00 0.00 178.83 175.50 2kr1 h LEU 17 N 0.69 0.43 0.05 -2.39 3.38 -1.06 -0.44 115.31 115.97 2kr1 h LEU 17 Ca 0.16 -0.95 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 2kr1 h LEU 17 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kr1 h LEU 17 CO -0.01 1.85 -0.02 0.71 0.09 0.00 0.00 178.44 181.05 2kr1 h THR 18 N 0.05 1.06 0.00 0.22 1.35 -1.31 -3.40 112.91 110.88 2kr1 h THR 18 Ca -0.41 -1.61 -0.25 0.00 -0.55 0.00 0.00 66.41 63.59 2kr1 h THR 18 Cb 2.02 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 70.34 2kr1 h THR 18 CO 0.09 0.33 -1.43 -0.62 -0.25 0.00 0.00 175.52 173.64 2kr1 n GLU 19 N -4.76 0.56 0.00 4.72 -0.58 -0.74 -4.98 120.64 114.86 2kr1 n GLU 19 Ca -0.07 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2kr1 n GLU 19 Cb 0.29 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kr1 n GLY 20 N 1.41 1.16 0.00 0.62 0.00 0.04 -4.43 105.19 103.99 2kr1 n GLY 20 Ca -0.34 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 1.77 3.69 0.00 0.00 -1.26 -4.97 105.19 104.42 2kr1 n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kr1 n GLY 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kr1 s ASN 23 N 0.00 6.90 0.18 1.61 2.47 -1.26 -4.94 114.94 119.90 2kr1 s ASN 23 Ca 0.00 2.03 -0.09 0.00 0.42 0.00 0.00 52.86 55.21 2kr1 s ASN 23 Cb 0.00 -2.56 0.08 0.00 -1.45 0.00 0.00 41.25 37.32 2kr1 s ASN 23 CO 0.00 -0.68 1.66 -0.08 -3.72 0.00 0.00 177.10 174.28 2kr1 h GLU 24 N 7.75 1.08 -4.58 0.43 4.81 -1.94 -3.34 114.58 118.78 2kr1 h GLU 24 Ca -0.37 -0.31 -0.70 0.00 -0.13 0.00 0.00 59.36 57.85 2kr1 h GLU 24 Cb 1.17 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2kr1 h GLU 24 CO 0.90 1.02 2.84 0.00 -0.73 0.00 0.00 179.01 183.04 2kr1 n ALA 25 N -2.47 4.91 -3.69 2.92 0.00 -1.26 -4.82 120.51 116.09 2kr1 n ALA 25 Ca 0.03 -3.87 -0.28 0.00 0.00 0.00 0.00 53.44 49.33 2kr1 n ALA 25 Cb 0.32 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.04 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 5.09 0.00 -2.74 0.00 -2.24 -1.26 -4.60 114.28 108.53 2kr1 n THR 27 Ca -0.08 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2kr1 n THR 27 Cb 0.46 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.50 6.65 0.58 3.42 2.47 -1.26 -4.92 114.94 119.38 2kr1 s ASN 28 Ca 0.28 0.48 0.35 0.00 0.42 0.00 0.00 52.86 54.39 2kr1 s ASN 28 Cb 0.20 -2.49 1.77 0.00 -1.45 0.00 0.00 41.25 39.28 2kr1 s ASN 28 CO 0.48 -1.01 2.16 1.05 -3.72 0.00 0.00 177.10 176.06 2kr1 h GLU 29 N 8.78 0.00 -0.98 0.43 9.09 -1.87 -2.49 114.58 127.55 2kr1 h GLU 29 Ca -0.23 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.99 2kr1 h GLU 29 Cb 1.07 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.06 2kr1 h GLU 29 CO 1.04 0.05 0.25 1.19 0.05 0.00 0.00 179.01 181.58 2kr1 n PHE 30 N -3.35 1.26 -3.88 2.06 3.72 -1.26 -4.03 117.46 111.98 2kr1 n PHE 30 Ca -0.02 -0.98 -0.12 0.00 -0.05 0.00 0.00 57.45 56.28 2kr1 n PHE 30 Cb 0.19 -0.51 -0.14 0.00 -0.94 0.00 0.00 39.48 38.07 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 0.08 2.26 0.00 0.00 0.00 -0.19 -3.42 121.76 120.48 2kr1 s ALA 32 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2kr1 s ALA 32 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kr1 s ALA 32 CO -0.00 -1.69 0.00 0.43 0.00 0.00 0.00 175.76 174.49 2kr1 n SER 33 N -3.43 -1.38 -4.83 0.00 7.64 -1.26 -3.66 113.62 106.70 2kr1 n SER 33 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 2kr1 n SER 33 Cb 0.55 -0.98 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 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 5.13 1.00 -0.28 0.00 0.11 -1.88 -2.82 132.00 133.26 2kr1 h PRO 35 Ca -0.53 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.52 2kr1 h PRO 35 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2kr1 h PRO 35 CO 0.58 0.66 0.00 0.25 -0.21 0.00 0.00 178.00 179.29 2kr1 n THR 36 N -4.52 0.37 -2.88 -1.15 -2.24 -1.26 -4.90 114.28 97.69 2kr1 n THR 36 Ca 0.16 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 2kr1 n THR 36 Cb 0.25 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.63 3.93 -0.30 4.78 5.36 -1.07 -4.80 117.98 124.26 2kr1 s PHE 37 Ca 0.26 1.75 -0.11 0.00 -0.96 0.00 0.00 56.93 57.86 2kr1 s PHE 37 Cb 0.14 -2.87 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 2kr1 s PHE 37 CO 0.19 0.46 0.19 -1.17 -1.46 0.00 0.00 175.22 173.43 2kr1 s LEU 38 N -1.03 4.12 0.10 6.12 2.96 -1.26 -5.02 118.68 124.66 2kr1 s LEU 38 Ca 0.39 -0.21 -0.32 0.00 -0.22 0.00 0.00 54.13 53.76 2kr1 s LEU 38 Cb -0.24 -2.09 -0.12 0.00 0.50 0.00 0.00 46.19 44.24 2kr1 s LEU 38 CO 0.28 -0.12 1.78 0.54 -1.32 0.00 0.00 176.35 177.51 2kr1 n ARG 39 N 5.05 2.53 -3.82 1.98 5.12 -1.26 -5.01 116.66 121.25 2kr1 n ARG 39 Ca -0.14 0.92 -0.24 0.00 -1.93 0.00 0.00 57.85 56.46 2kr1 n ARG 39 Cb 0.51 -2.77 -0.17 0.00 -1.16 0.00 0.00 32.46 28.86 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 2.46 0.94 0.33 5.56 0.23 -1.26 -5.11 119.30 122.46 2kr1 s MET 40 Ca 0.83 -0.03 -0.01 0.00 -1.03 0.00 0.00 55.69 55.46 2kr1 s MET 40 Cb -0.57 -1.20 0.07 0.00 -1.53 0.00 0.00 34.83 31.60 2kr1 s MET 40 CO 0.40 -0.29 0.45 -0.25 -2.03 0.00 0.00 175.02 173.30 2kr1 n ASP 41 N 5.07 0.55 -0.30 -1.18 8.00 -1.26 -4.01 116.55 123.42 2kr1 n ASP 41 Ca -0.09 -1.48 0.06 0.00 0.71 0.00 0.00 54.79 54.00 2kr1 n ASP 41 Cb 0.50 -0.30 0.16 0.00 -0.02 0.00 0.00 41.12 41.46 2kr1 n ASP 41 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kr1 h ASN 42 N -0.31 -0.59 -0.02 -2.24 7.08 -1.96 0.22 115.58 117.76 2kr1 h ASN 42 Ca -0.15 0.24 -0.01 0.00 -3.08 0.00 0.00 56.30 53.30 2kr1 h ASN 42 Cb 0.54 0.47 -0.00 0.00 -2.08 0.00 0.00 38.32 37.24 2kr1 h ASN 42 CO 0.15 -0.27 -0.04 0.78 -2.08 0.00 0.00 177.43 175.98 2kr1 h ASN 43 N 0.03 0.07 0.19 6.14 4.21 -1.99 -1.60 115.58 122.62 2kr1 h ASN 43 Ca 0.45 -0.55 -0.07 0.00 1.21 0.00 0.00 56.30 57.35 2kr1 h ASN 43 Cb 0.79 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.96 2kr1 h ASN 43 CO -0.83 0.61 -0.26 0.00 -1.29 0.00 0.00 177.43 175.66 2kr1 h ALA 44 N 0.47 1.43 0.00 -0.83 0.00 -1.52 -2.70 119.26 116.11 2kr1 h ALA 44 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2kr1 h ALA 44 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kr1 h ALA 44 CO 0.01 0.41 -1.05 0.00 0.00 0.00 0.00 179.25 178.62 2kr1 h ALA 45 N 1.62 0.64 -0.12 0.00 0.00 -0.65 -2.22 119.26 118.52 2kr1 h ALA 45 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2kr1 h ALA 45 Cb 0.53 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kr1 h ALA 45 CO 0.04 0.83 -0.06 0.00 0.00 0.00 0.00 179.25 180.06 2kr1 h ALA 46 N 1.42 0.17 -0.02 0.00 0.00 -1.08 0.37 119.26 120.13 2kr1 h ALA 46 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kr1 h ALA 46 Cb 1.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kr1 h ALA 46 CO 0.06 -0.05 -0.01 0.82 0.00 0.00 0.00 179.25 180.07 2kr1 h ILE 47 N -0.09 0.97 0.00 0.00 1.08 -1.55 -2.73 117.51 115.19 2kr1 h ILE 47 Ca 0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 2kr1 h ILE 47 Cb 0.51 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2kr1 h ILE 47 CO 0.02 0.00 -0.13 0.50 -0.69 0.00 0.00 178.15 177.85 2kr1 h LYS 48 N -0.01 0.00 -0.34 2.37 1.63 -1.44 -2.26 116.57 116.53 2kr1 h LYS 48 Ca 0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2kr1 h LYS 48 Cb 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2kr1 h LYS 48 CO -0.02 0.13 0.13 0.00 -3.45 0.00 0.00 179.45 176.24 2kr1 h ALA 49 N 1.87 0.44 -0.60 5.00 0.00 -0.61 -0.65 119.26 124.72 2kr1 h ALA 49 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2kr1 h ALA 49 Cb 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2kr1 h ALA 49 CO 0.02 0.05 0.03 -0.07 0.00 0.00 0.00 179.25 179.28 2kr1 h LEU 50 N 0.40 0.99 0.35 0.00 -0.00 -1.28 -1.64 115.31 114.13 2kr1 h LEU 50 Ca 0.11 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 2kr1 h LEU 50 Cb 0.20 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2kr1 h LEU 50 CO -0.01 1.02 -0.17 -0.33 -0.00 0.00 0.00 178.44 178.96 2kr1 h GLU 51 N 0.94 -0.45 0.00 1.13 4.39 -1.25 -1.73 114.58 117.61 2kr1 h GLU 51 Ca 0.17 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2kr1 h GLU 51 Cb 0.51 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2kr1 h GLU 51 CO 0.02 -0.27 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.41 2kr1 h LEU 52 N -0.52 0.00 0.02 1.33 3.38 -1.13 -2.69 115.31 115.70 2kr1 h LEU 52 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 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 0.08 0.13 -0.01 0.22 0.09 0.00 0.00 178.44 178.95 2kr1 h TYR 53 N 0.00 -0.03 -0.12 1.13 3.20 -1.18 -0.39 116.97 119.58 2kr1 h TYR 53 Ca -0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2kr1 h TYR 53 Cb 0.62 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2kr1 h TYR 53 CO 0.00 0.63 -0.46 1.57 -1.64 0.00 0.00 178.16 178.26 2kr1 h LYS 54 N -0.73 0.30 0.00 1.82 2.10 -1.19 -2.40 116.57 116.46 2kr1 h LYS 54 Ca -0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2kr1 h LYS 54 Cb 0.67 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2kr1 h LYS 54 CO 0.01 0.70 -0.29 0.44 -2.00 0.00 0.00 179.45 178.31 2kr1 n ILE 55 N -3.99 0.47 -3.08 0.07 -5.35 -1.03 -4.98 119.36 101.47 2kr1 n ILE 55 Ca -0.02 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.07 2kr1 n ILE 55 Cb 0.52 -0.36 0.06 0.00 -1.74 0.00 0.00 39.64 38.11 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 -2.17 -6.36 -4.04 7.28 5.03 -0.91 -5.05 115.26 109.05 2kr1 n ASN 56 Ca 0.05 -0.59 -0.30 0.00 0.87 0.00 0.00 54.58 54.61 2kr1 n ASN 56 Cb 0.43 -4.83 0.20 0.00 -1.02 0.00 0.00 39.78 34.56 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kr1 s ALA 57 N -3.32 2.07 -0.42 5.41 0.00 -0.17 -4.96 121.76 120.36 2kr1 s ALA 57 Ca 0.38 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 2kr1 s ALA 57 Cb -0.05 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2kr1 s ALA 57 CO 0.68 -2.60 1.94 0.15 0.00 0.00 0.00 175.76 175.93 2kr1 s LYS 58 N -5.88 2.95 0.04 0.00 -0.14 -1.26 -4.98 119.74 110.47 2kr1 s LYS 58 Ca 0.75 1.26 -0.22 0.00 -1.36 0.00 0.00 55.97 56.40 2kr1 s LYS 58 Cb -0.04 -4.32 -0.06 0.00 -1.68 0.00 0.00 37.83 31.74 2kr1 s LYS 58 CO 0.54 -2.31 0.67 -1.17 -0.76 0.00 0.00 175.35 172.31 2kr1 s LEU 59 N 8.35 4.46 0.00 3.17 2.96 -1.26 -4.90 118.68 131.47 2kr1 s LEU 59 Ca 0.81 1.32 0.17 0.00 -0.22 0.00 0.00 54.13 56.20 2kr1 s LEU 59 Cb -0.20 -3.06 0.71 0.00 0.50 0.00 0.00 46.19 44.14 2kr1 s LEU 59 CO 0.29 0.11 1.50 0.00 -1.32 0.00 0.00 176.35 176.93 2kr1 n ASP 61 N -0.04 3.59 -4.59 0.00 2.03 -1.26 -4.87 116.55 111.41 2kr1 n ASP 61 Ca 0.13 0.97 -0.42 0.00 0.52 0.00 0.00 54.79 55.99 2kr1 n ASP 61 Cb 0.22 -1.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.18 2kr1 n ASP 61 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2kr1 s PRO 62 N 3.91 3.27 0.34 -0.67 0.04 -1.26 -5.00 135.00 135.64 2kr1 s PRO 62 Ca 0.91 1.15 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2kr1 s PRO 62 Cb -0.64 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.68 2kr1 s PRO 62 CO 0.49 -1.94 0.54 -1.01 0.04 0.00 0.00 177.00 175.12 2kr1 s HIS 63 N 6.89 3.49 -1.99 0.56 3.76 -1.26 -5.30 115.29 121.43 2kr1 s HIS 63 Ca 0.73 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 2kr1 s HIS 63 Cb -0.18 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.62 2kr1 s HIS 63 CO 0.31 0.13 0.50 -0.35 -0.85 0.00 0.00 174.74 174.48