#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 3.42 0.88 3.17 2.20 -1.26 -4.98 119.74 123.17 2kr1 s LYS 2 Ca 0.00 -1.07 -0.12 0.00 -0.36 0.00 0.00 55.97 54.42 2kr1 s LYS 2 Cb 0.00 -5.32 0.12 0.00 -1.51 0.00 0.00 37.83 31.12 2kr1 s LYS 2 CO 0.00 -2.46 1.12 1.03 -0.36 0.00 0.00 175.35 174.68 2kr1 s ARG 3 N 5.29 1.38 0.13 4.03 0.52 -1.26 -4.84 118.95 124.20 2kr1 s ARG 3 Ca 0.52 0.41 -0.20 0.00 -0.52 0.00 0.00 55.73 55.94 2kr1 s ARG 3 Cb -0.01 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 2kr1 s ARG 3 CO -0.06 -2.06 1.69 0.00 0.02 0.00 0.00 175.30 174.89 2kr1 h ALA 4 N -1.40 0.09 -0.08 2.13 0.00 -1.99 -1.46 119.26 116.55 2kr1 h ALA 4 Ca -0.50 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2kr1 h ALA 4 Cb 1.31 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2kr1 h ALA 4 CO 0.61 -0.50 -0.40 0.00 0.00 0.00 0.00 179.25 178.95 2kr1 h ALA 5 N 1.14 1.17 -0.37 0.00 0.00 -1.97 0.03 119.26 119.25 2kr1 h ALA 5 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kr1 h ALA 5 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kr1 h ALA 5 CO -0.23 0.57 0.18 0.00 0.00 0.00 0.00 179.25 179.77 2kr1 h ALA 6 N 1.44 0.48 0.00 0.00 0.00 -1.81 -1.19 119.26 118.18 2kr1 h ALA 6 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2kr1 h ALA 6 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kr1 h ALA 6 CO 0.06 0.04 -0.60 -0.22 0.00 0.00 0.00 179.25 178.53 2kr1 h LYS 7 N 0.47 0.00 -0.34 0.00 3.64 -1.06 -2.52 116.57 116.76 2kr1 h LYS 7 Ca 0.13 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 2kr1 h LYS 7 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kr1 h LYS 7 CO -0.02 0.60 -0.13 0.45 -2.27 0.00 0.00 179.45 178.08 2kr1 h HIS 8 N 0.00 0.64 -0.12 1.91 3.86 -0.78 -0.92 115.15 119.74 2kr1 h HIS 8 Ca -0.01 -0.11 -0.22 0.00 -1.16 0.00 0.00 60.37 58.88 2kr1 h HIS 8 Cb 1.25 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 29.56 2kr1 h HIS 8 CO 0.00 0.69 -0.81 1.25 0.86 0.00 0.00 177.93 179.92 2kr1 h LEU 9 N 0.54 0.85 -0.75 2.43 7.12 -1.06 0.17 115.31 124.62 2kr1 h LEU 9 Ca 0.10 -0.58 0.05 0.00 0.13 0.00 0.00 57.88 57.58 2kr1 h LEU 9 Cb 0.54 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.36 2kr1 h LEU 9 CO 0.03 1.37 0.45 0.40 -0.13 0.00 0.00 178.44 180.56 2kr1 h ILE 10 N 0.47 1.02 0.00 4.05 2.04 -1.39 -2.47 117.51 121.24 2kr1 h ILE 10 Ca -0.06 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2kr1 h ILE 10 Cb 1.43 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2kr1 h ILE 10 CO 0.16 0.15 -0.49 -0.08 0.00 0.00 0.00 178.15 177.90 2kr1 h GLU 11 N 0.83 0.00 -0.39 2.37 4.57 -0.86 -0.97 114.58 120.14 2kr1 h GLU 11 Ca 0.32 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 2kr1 h GLU 11 Cb 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2kr1 h GLU 11 CO -0.16 0.49 -0.02 0.00 -1.18 0.00 0.00 179.01 178.14 2kr1 h ARG 12 N 0.00 0.69 -0.30 1.92 2.47 -0.29 -0.51 114.38 118.37 2kr1 h ARG 12 Ca -0.00 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 58.35 2kr1 h ARG 12 Cb 0.91 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2kr1 h ARG 12 CO 0.06 0.80 -0.35 1.88 0.56 0.00 0.00 179.97 182.92 2kr1 h TYR 13 N 0.51 0.94 -0.49 3.04 0.05 -1.31 -1.13 116.97 118.57 2kr1 h TYR 13 Ca 0.11 -0.29 0.01 0.00 0.05 0.00 0.00 58.73 58.61 2kr1 h TYR 13 Cb 0.50 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 2kr1 h TYR 13 CO 0.04 1.07 0.31 -0.92 -1.05 0.00 0.00 178.16 177.61 2kr1 h TYR 14 N 0.54 0.59 0.00 4.88 3.20 -1.13 0.04 116.97 125.08 2kr1 h TYR 14 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2kr1 h TYR 14 Cb 0.94 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2kr1 h TYR 14 CO 0.07 0.36 -0.28 1.25 -1.64 0.00 0.00 178.16 177.92 2kr1 h HIS 15 N 0.63 0.00 -0.05 -3.82 2.76 -1.10 -1.97 115.15 111.61 2kr1 h HIS 15 Ca 0.19 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.12 2kr1 h HIS 15 Cb -0.03 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.94 2kr1 h HIS 15 CO -0.05 0.28 -0.92 0.37 -1.30 0.00 0.00 177.93 176.31 2kr1 h GLN 16 N 0.00 0.63 0.00 5.26 4.15 -0.09 -0.15 115.11 124.90 2kr1 h GLN 16 Ca -0.00 -0.61 -0.08 0.00 0.77 0.00 0.00 58.65 58.73 2kr1 h GLN 16 Cb 0.61 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2kr1 h GLN 16 CO 0.04 1.22 -0.38 -0.07 -1.93 0.00 0.00 178.83 177.71 2kr1 h LEU 17 N 0.38 0.00 0.00 -2.39 -0.00 -0.72 0.16 115.31 112.74 2kr1 h LEU 17 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2kr1 h LEU 17 Cb 1.55 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.20 2kr1 h LEU 17 CO 0.18 0.38 -0.93 0.35 -0.00 0.00 0.00 178.44 178.41 2kr1 n THR 18 N -3.37 1.47 -0.06 0.22 -2.24 -0.77 -4.52 114.28 105.02 2kr1 n THR 18 Ca 0.01 0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2kr1 n THR 18 Cb 0.58 -2.28 -0.01 0.00 -2.10 0.00 0.00 70.33 66.51 2kr1 n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kr1 n GLU 19 N -4.52 0.36 0.00 -0.78 -0.58 -0.15 -4.88 120.64 110.09 2kr1 n GLU 19 Ca -0.17 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2kr1 n GLU 19 Cb 0.45 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.63 0.71 0.00 0.62 0.00 -0.71 -4.18 105.19 103.26 2kr1 n GLY 20 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 2.10 3.70 0.00 0.00 -1.26 -3.08 105.19 106.65 2kr1 n GLY 22 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 1.22 3.80 0.00 1.61 5.15 -1.26 -4.97 115.26 120.82 2kr1 n ASN 23 Ca 0.00 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 2kr1 n ASN 23 Cb 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kr1 n GLU 24 N 4.34 0.00 -2.65 1.20 4.07 -1.26 -4.10 120.64 122.23 2kr1 n GLU 24 Ca 0.17 0.42 -0.43 0.00 -0.06 0.00 0.00 57.16 57.26 2kr1 n GLU 24 Cb 0.34 -1.40 -0.01 0.00 -0.06 0.00 0.00 31.44 30.31 2kr1 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kr1 s ALA 25 N -2.84 3.28 -0.35 4.31 0.00 -1.26 -4.85 121.76 120.04 2kr1 s ALA 25 Ca 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 51.96 49.08 2kr1 s ALA 25 Cb 0.00 -4.51 0.05 0.00 0.00 0.00 0.00 23.12 18.66 2kr1 s ALA 25 CO 0.00 -3.28 0.12 0.00 0.00 0.00 0.00 175.76 172.60 2kr1 n THR 27 N 4.78 5.10 -3.62 0.00 5.66 -1.26 -4.22 114.28 120.72 2kr1 n THR 27 Ca -0.11 -4.33 -0.27 0.00 -3.05 0.00 0.00 64.05 56.29 2kr1 n THR 27 Cb 0.44 -2.12 -0.17 0.00 -1.55 0.00 0.00 70.33 66.93 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 0.44 2.62 0.62 1.09 2.47 -1.26 -5.00 114.94 115.91 2kr1 s ASN 28 Ca 0.52 -0.75 0.39 0.00 0.42 0.00 0.00 52.86 53.43 2kr1 s ASN 28 Cb 0.17 -0.32 2.03 0.00 -1.45 0.00 0.00 41.25 41.68 2kr1 s ASN 28 CO -0.08 -0.36 2.25 1.05 -3.72 0.00 0.00 177.10 176.24 2kr1 h GLU 29 N 8.39 0.00 -0.91 0.43 9.09 -1.88 -2.53 114.58 127.16 2kr1 h GLU 29 Ca -0.16 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.15 2kr1 h GLU 29 Cb 1.12 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.16 2kr1 h GLU 29 CO 0.32 0.02 0.13 1.19 0.05 0.00 0.00 179.01 180.72 2kr1 n PHE 30 N -3.24 1.03 -3.77 2.06 3.72 -1.26 -4.48 117.46 111.52 2kr1 n PHE 30 Ca -0.02 -0.66 -0.13 0.00 -0.05 0.00 0.00 57.45 56.59 2kr1 n PHE 30 Cb 0.14 -0.40 -0.11 0.00 -0.94 0.00 0.00 39.48 38.17 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 0.33 3.17 0.00 0.00 0.00 0.55 -3.55 121.76 122.26 2kr1 s ALA 32 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2kr1 s ALA 32 Cb -0.03 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2kr1 s ALA 32 CO -0.01 -0.35 0.00 0.45 0.00 0.00 0.00 175.76 175.85 2kr1 n SER 33 N -1.98 -2.19 -4.86 0.00 2.88 -1.26 -4.24 113.62 101.98 2kr1 n SER 33 Ca 0.05 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.27 2kr1 n SER 33 Cb 0.54 -1.70 -0.06 0.00 -0.75 0.00 0.00 64.21 62.24 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kr1 h PRO 35 N 2.36 0.31 -0.15 0.00 0.13 -1.90 -2.55 132.00 130.20 2kr1 h PRO 35 Ca -0.47 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kr1 h PRO 35 Cb 1.17 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kr1 h PRO 35 CO 0.67 0.45 0.00 0.25 -0.23 0.00 0.00 178.00 179.14 2kr1 n THR 36 N -4.25 0.19 -3.44 1.56 -2.24 -1.26 -4.87 114.28 99.98 2kr1 n THR 36 Ca -0.00 -0.31 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 2kr1 n THR 36 Cb 0.29 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.81 3.40 -0.05 4.78 5.36 -0.96 -4.55 117.98 124.14 2kr1 s PHE 37 Ca 0.31 0.60 -0.11 0.00 -0.96 0.00 0.00 56.93 56.78 2kr1 s PHE 37 Cb 0.17 -2.46 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 2kr1 s PHE 37 CO 0.25 0.07 0.28 -1.17 -1.46 0.00 0.00 175.22 173.20 2kr1 s LEU 38 N 1.02 4.43 0.59 6.12 2.96 -1.26 -4.88 118.68 127.67 2kr1 s LEU 38 Ca 0.18 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 2kr1 s LEU 38 Cb -0.14 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 2kr1 s LEU 38 CO 0.07 0.36 1.10 -0.13 -1.32 0.00 0.00 176.35 176.43 2kr1 s ARG 39 N -1.07 3.16 -0.08 1.98 3.00 -1.26 -5.06 118.95 119.62 2kr1 s ARG 39 Ca 0.20 1.43 -0.22 0.00 0.00 0.00 0.00 55.73 57.14 2kr1 s ARG 39 Cb -0.14 -2.00 0.05 0.00 0.00 0.00 0.00 34.95 32.86 2kr1 s ARG 39 CO 0.09 -0.97 0.50 0.00 0.00 0.00 0.00 175.30 174.93 2kr1 s MET 40 N -3.75 0.80 1.02 3.54 0.23 -1.26 -5.18 119.30 114.70 2kr1 s MET 40 Ca 0.68 0.22 -0.17 0.00 -1.03 0.00 0.00 55.69 55.39 2kr1 s MET 40 Cb -0.20 0.37 0.22 0.00 -1.53 0.00 0.00 34.83 33.69 2kr1 s MET 40 CO 0.34 -0.21 1.28 0.16 -2.03 0.00 0.00 175.02 174.56 2kr1 s ASP 41 N -0.85 2.59 0.34 -1.18 -4.77 -1.26 -4.77 116.67 106.77 2kr1 s ASP 41 Ca -0.09 0.33 0.07 0.00 -3.30 0.00 0.00 52.55 49.56 2kr1 s ASP 41 Cb -0.03 -0.40 0.62 0.00 -1.09 0.00 0.00 42.92 42.01 2kr1 s ASP 41 CO 0.05 -3.07 1.83 -0.55 0.70 0.00 0.00 175.17 174.13 2kr1 h ASN 42 N -1.87 0.31 -0.12 2.11 7.08 -1.99 -0.45 115.58 120.66 2kr1 h ASN 42 Ca -0.44 -0.08 -0.08 0.00 -3.08 0.00 0.00 56.30 52.61 2kr1 h ASN 42 Cb 1.24 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 2kr1 h ASN 42 CO 0.36 0.53 -0.26 0.78 -2.08 0.00 0.00 177.43 176.77 2kr1 h ASN 43 N 0.30 0.42 -0.59 6.14 -0.26 -1.99 -0.98 115.58 118.62 2kr1 h ASN 43 Ca 0.05 -0.57 -0.05 0.00 -0.56 0.00 0.00 56.30 55.18 2kr1 h ASN 43 Cb 0.52 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 2kr1 h ASN 43 CO 0.03 0.92 0.20 0.00 -1.06 0.00 0.00 177.43 177.52 2kr1 h ALA 44 N 0.52 1.18 -0.13 -0.83 0.00 -1.90 -2.01 119.26 116.09 2kr1 h ALA 44 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2kr1 h ALA 44 Cb 0.85 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kr1 h ALA 44 CO 0.06 0.58 -0.35 0.00 0.00 0.00 0.00 179.25 179.54 2kr1 h ALA 45 N 1.30 1.17 0.00 0.00 0.00 -1.05 -1.24 119.26 119.44 2kr1 h ALA 45 Ca 0.21 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kr1 h ALA 45 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kr1 h ALA 45 CO -0.01 0.55 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 2kr1 h ALA 46 N 1.41 -0.00 -0.35 0.00 0.00 -0.81 -0.99 119.26 118.52 2kr1 h ALA 46 Ca 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kr1 h ALA 46 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kr1 h ALA 46 CO 0.06 -0.24 0.20 0.82 0.00 0.00 0.00 179.25 180.08 2kr1 h ILE 47 N -0.52 1.13 -0.13 0.00 1.08 -1.37 -2.64 117.51 115.06 2kr1 h ILE 47 Ca -0.00 -0.32 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 2kr1 h ILE 47 Cb 0.52 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2kr1 h ILE 47 CO 0.00 0.13 -0.19 0.50 -0.69 0.00 0.00 178.15 177.90 2kr1 h LYS 48 N 0.45 0.21 -0.51 2.37 1.63 -1.28 -1.56 116.57 117.87 2kr1 h LYS 48 Ca 0.12 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2kr1 h LYS 48 Cb 0.04 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2kr1 h LYS 48 CO -0.02 0.40 0.30 0.00 -3.45 0.00 0.00 179.45 176.68 2kr1 h ALA 49 N 1.61 0.65 -0.40 5.00 0.00 -0.83 -0.32 119.26 124.98 2kr1 h ALA 49 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2kr1 h ALA 49 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kr1 h ALA 49 CO 0.03 0.15 -0.14 -0.07 0.00 0.00 0.00 179.25 179.21 2kr1 h LEU 50 N 0.68 0.83 -0.15 0.00 -0.00 -1.16 -1.56 115.31 113.94 2kr1 h LEU 50 Ca 0.18 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.67 2kr1 h LEU 50 Cb 0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.43 2kr1 h LEU 50 CO -0.03 1.02 0.07 -0.33 -0.00 0.00 0.00 178.44 179.17 2kr1 h GLU 51 N 0.62 0.22 0.00 1.13 4.39 -1.12 -2.00 114.58 117.82 2kr1 h GLU 51 Ca 0.10 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 2kr1 h GLU 51 Cb 0.69 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2kr1 h GLU 51 CO 0.05 0.28 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.72 2kr1 h LEU 52 N 0.12 0.00 0.09 1.33 3.38 -1.10 -2.29 115.31 116.84 2kr1 h LEU 52 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kr1 h LEU 52 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kr1 h LEU 52 CO -0.01 0.39 -0.04 0.22 0.09 0.00 0.00 178.44 179.09 2kr1 h TYR 53 N 0.00 -0.11 -0.01 1.13 3.20 -1.13 -0.51 116.97 119.54 2kr1 h TYR 53 Ca -0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2kr1 h TYR 53 Cb 0.89 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2kr1 h TYR 53 CO 0.00 0.27 -0.61 1.57 -1.64 0.00 0.00 178.16 177.75 2kr1 h LYS 54 N -0.52 0.03 0.00 1.82 2.10 -1.24 -2.21 116.57 116.55 2kr1 h LYS 54 Ca -0.01 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2kr1 h LYS 54 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2kr1 h LYS 54 CO 0.02 0.63 -0.51 0.44 -2.00 0.00 0.00 179.45 178.03 2kr1 n ILE 55 N -3.82 0.30 -3.17 0.07 -5.35 -0.87 -5.00 119.36 101.51 2kr1 n ILE 55 Ca -0.01 -0.21 -0.09 0.00 -0.27 0.00 0.00 62.75 62.17 2kr1 n ILE 55 Cb 0.61 -0.12 0.04 0.00 -1.74 0.00 0.00 39.64 38.43 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 -1.99 -7.15 -2.96 7.28 5.15 -0.62 -5.04 115.26 109.93 2kr1 n ASN 56 Ca 0.04 -0.43 -0.15 0.00 -0.60 0.00 0.00 54.58 53.45 2kr1 n ASN 56 Cb 0.41 -5.23 0.11 0.00 -0.53 0.00 0.00 39.78 34.54 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kr1 n ALA 57 N -2.58 -0.88 -1.87 5.20 0.00 -0.30 -4.95 120.51 115.12 2kr1 n ALA 57 Ca -0.04 -0.86 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 2kr1 n ALA 57 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2kr1 n ALA 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kr1 s LYS 58 N -4.43 2.97 -0.13 0.00 -0.14 -1.26 -4.98 119.74 111.78 2kr1 s LYS 58 Ca 0.37 1.37 -0.02 0.00 -1.36 0.00 0.00 55.97 56.34 2kr1 s LYS 58 Cb -0.01 -4.33 -0.03 0.00 -1.68 0.00 0.00 37.83 31.79 2kr1 s LYS 58 CO 0.26 -2.29 -0.05 -1.17 -0.76 0.00 0.00 175.35 171.35 2kr1 s LEU 59 N 8.37 3.20 -0.22 3.17 2.96 -1.26 -4.90 118.68 130.01 2kr1 s LEU 59 Ca 0.84 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 2kr1 s LEU 59 Cb -0.22 -1.75 -0.21 0.00 0.50 0.00 0.00 46.19 44.52 2kr1 s LEU 59 CO 0.30 0.23 -0.06 0.00 -1.32 0.00 0.00 176.35 175.50 2kr1 n ASP 61 N -3.08 -3.93 -4.77 0.00 8.00 -1.26 -4.94 116.55 106.58 2kr1 n ASP 61 Ca -0.40 0.77 -0.41 0.00 0.71 0.00 0.00 54.79 55.46 2kr1 n ASP 61 Cb 1.06 -1.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 2kr1 n ASP 61 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kr1 s PRO 62 N -4.71 4.23 0.35 -0.24 0.04 -1.26 -4.67 135.00 128.73 2kr1 s PRO 62 Ca 0.00 2.40 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 2kr1 s PRO 62 Cb 0.00 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 2kr1 s PRO 62 CO 0.00 -0.40 1.15 -3.38 0.04 0.00 0.00 177.00 174.41 2kr1 s HIS 63 N -0.81 3.26 -1.44 0.56 -3.43 -1.18 -5.07 115.29 107.19 2kr1 s HIS 63 Ca 0.54 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 56.39 2kr1 s HIS 63 Cb -0.43 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.35 2kr1 s HIS 63 CO 0.54 -1.05 0.36 -2.30 -2.00 0.00 0.00 174.74 170.29