#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 2.64 -0.13 3.17 1.02 -1.26 -4.83 119.74 120.35 2kr1 s LYS 2 Ca 0.00 -0.20 -0.07 0.00 0.02 0.00 0.00 55.97 55.73 2kr1 s LYS 2 Cb 0.00 -4.96 0.05 0.00 -0.52 0.00 0.00 37.83 32.40 2kr1 s LYS 2 CO 0.00 -3.19 0.30 0.50 -0.92 0.00 0.00 175.35 172.05 2kr1 s ARG 3 N 6.87 0.27 0.17 1.68 3.52 -1.26 -5.06 118.95 125.14 2kr1 s ARG 3 Ca 0.68 0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 56.78 2kr1 s ARG 3 Cb -0.07 -0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.30 2kr1 s ARG 3 CO 0.02 -0.17 1.71 0.00 -0.81 0.00 0.00 175.30 176.06 2kr1 h ALA 4 N 7.21 0.76 -0.28 6.12 0.00 -2.00 -1.64 119.26 129.45 2kr1 h ALA 4 Ca -0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2kr1 h ALA 4 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kr1 h ALA 4 CO 0.34 0.40 0.00 0.00 0.00 0.00 0.00 179.25 180.00 2kr1 h ALA 5 N 1.07 1.50 -0.04 0.00 0.00 -1.97 -1.12 119.26 118.69 2kr1 h ALA 5 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kr1 h ALA 5 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kr1 h ALA 5 CO -0.01 0.36 -0.29 0.00 0.00 0.00 0.00 179.25 179.31 2kr1 h ALA 6 N 1.61 0.10 -0.40 0.00 0.00 -1.85 -1.25 119.26 117.46 2kr1 h ALA 6 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kr1 h ALA 6 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kr1 h ALA 6 CO 0.01 0.14 0.25 -0.22 0.00 0.00 0.00 179.25 179.43 2kr1 h LYS 7 N -0.27 0.49 0.00 0.00 1.63 -1.18 -1.74 116.57 115.51 2kr1 h LYS 7 Ca -0.02 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 2kr1 h LYS 7 Cb 0.97 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2kr1 h LYS 7 CO 0.06 0.33 -0.23 0.45 -3.45 0.00 0.00 179.45 176.61 2kr1 h HIS 8 N 0.51 0.00 -0.12 1.91 3.86 -1.27 -1.21 115.15 118.82 2kr1 h HIS 8 Ca 0.15 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2kr1 h HIS 8 Cb -0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 2kr1 h HIS 8 CO -0.06 0.23 -0.13 1.25 0.86 0.00 0.00 177.93 180.08 2kr1 h LEU 9 N 0.00 0.33 -1.24 2.43 7.12 -0.75 -2.20 115.31 121.00 2kr1 h LEU 9 Ca -0.00 -0.49 -0.02 0.00 0.13 0.00 0.00 57.88 57.50 2kr1 h LEU 9 Cb 0.80 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.80 2kr1 h LEU 9 CO 0.03 0.76 0.26 0.40 -0.13 0.00 0.00 178.44 179.75 2kr1 h ILE 10 N -0.08 1.19 -0.52 4.05 2.04 -1.23 -2.17 117.51 120.79 2kr1 h ILE 10 Ca 0.02 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2kr1 h ILE 10 Cb 0.67 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2kr1 h ILE 10 CO 0.03 0.22 0.28 -0.08 0.00 0.00 0.00 178.15 178.61 2kr1 h GLU 11 N 0.78 0.71 -0.26 2.37 4.81 -1.12 -0.32 114.58 121.56 2kr1 h GLU 11 Ca 0.19 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.16 2kr1 h GLU 11 Cb 0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2kr1 h GLU 11 CO -0.02 0.53 -0.58 0.00 -0.73 0.00 0.00 179.01 178.20 2kr1 h ARG 12 N 0.72 0.83 -0.42 1.92 3.08 -0.76 -0.24 114.38 119.51 2kr1 h ARG 12 Ca 0.19 -0.55 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 2kr1 h ARG 12 Cb 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kr1 h ARG 12 CO -0.03 1.18 -0.22 1.88 -1.07 0.00 0.00 179.97 181.70 2kr1 h TYR 13 N 0.63 0.96 -0.11 3.04 0.05 -1.23 -1.09 116.97 119.22 2kr1 h TYR 13 Ca 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 2kr1 h TYR 13 Cb 1.19 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 2kr1 h TYR 13 CO 0.07 0.98 -0.06 -0.92 -1.05 0.00 0.00 178.16 177.19 2kr1 h TYR 14 N 0.73 0.27 -0.51 4.88 3.20 -1.02 -2.63 116.97 121.88 2kr1 h TYR 14 Ca 0.10 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2kr1 h TYR 14 Cb 0.76 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 2kr1 h TYR 14 CO 0.04 0.58 0.28 1.25 -1.64 0.00 0.00 178.16 178.68 2kr1 h HIS 15 N -0.13 0.69 -0.50 -3.82 2.76 -1.06 -1.11 115.15 111.99 2kr1 h HIS 15 Ca 0.02 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2kr1 h HIS 15 Cb 0.52 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2kr1 h HIS 15 CO 0.07 0.48 0.30 0.37 -1.30 0.00 0.00 177.93 177.85 2kr1 h GLN 16 N 0.71 0.67 0.15 5.26 4.15 -1.07 0.10 115.11 125.08 2kr1 h GLN 16 Ca 0.18 -0.06 -0.21 0.00 0.77 0.00 0.00 58.65 59.34 2kr1 h GLN 16 Cb 0.02 -0.14 0.02 0.00 0.21 0.00 0.00 27.48 27.60 2kr1 h GLN 16 CO -0.03 0.48 -0.90 -0.07 -1.93 0.00 0.00 178.83 176.39 2kr1 h LEU 17 N 0.66 0.53 0.00 -2.39 3.38 -1.08 -0.30 115.31 116.12 2kr1 h LEU 17 Ca 0.18 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 2kr1 h LEU 17 Cb -0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2kr1 h LEU 17 CO -0.03 1.43 -0.23 0.71 0.09 0.00 0.00 178.44 180.40 2kr1 h THR 18 N -0.27 0.01 0.18 0.22 1.35 -1.29 -3.38 112.91 109.73 2kr1 h THR 18 Ca -0.15 -1.01 -0.26 0.00 -0.55 0.00 0.00 66.41 64.44 2kr1 h THR 18 Cb 1.70 0.01 0.03 0.00 -1.73 0.00 0.00 68.15 68.16 2kr1 h THR 18 CO 0.17 0.00 -1.14 -0.33 -0.25 0.00 0.00 175.52 173.97 2kr1 h GLU 19 N -1.00 0.45 0.00 4.72 4.39 -1.46 -3.48 114.58 118.19 2kr1 h GLU 19 Ca -0.00 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.97 2kr1 h GLU 19 Cb 0.23 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2kr1 h GLU 19 CO -0.00 1.34 0.00 0.41 -1.16 0.00 0.00 179.01 179.60 2kr1 n GLY 20 N 1.63 -0.79 0.00 -3.84 0.00 0.25 -4.66 105.19 97.79 2kr1 n GLY 20 Ca -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.05 1.80 3.76 0.00 0.00 -1.26 -4.98 105.19 104.45 2kr1 n GLY 22 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 1.46 3.78 0.00 1.61 5.15 -1.26 -4.99 115.26 121.01 2kr1 n ASN 23 Ca 0.00 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 2kr1 n ASN 23 Cb 0.00 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 37.65 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 1.15 0.00 -3.13 1.20 4.07 -1.26 -4.10 120.64 118.56 2kr1 n GLU 24 Ca 0.04 0.31 -0.44 0.00 -0.06 0.00 0.00 57.16 57.01 2kr1 n GLU 24 Cb 0.38 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 2kr1 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kr1 n ALA 25 N -1.35 4.29 -2.70 4.31 0.00 -1.26 -4.66 120.51 119.14 2kr1 n ALA 25 Ca 0.00 -4.54 -0.42 0.00 0.00 0.00 0.00 53.44 48.49 2kr1 n ALA 25 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 16.76 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 4.25 4.69 -3.65 0.00 5.66 -1.26 -4.75 114.28 119.22 2kr1 n THR 27 Ca 0.05 -4.18 -0.05 0.00 -3.05 0.00 0.00 64.05 56.82 2kr1 n THR 27 Cb 0.50 -1.79 -0.07 0.00 -1.55 0.00 0.00 70.33 67.42 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 0.00 -0.68 0.30 1.09 2.47 -1.26 -5.05 114.94 111.81 2kr1 s ASN 28 Ca 0.53 1.27 -0.01 0.00 0.42 0.00 0.00 52.86 55.07 2kr1 s ASN 28 Cb 0.26 1.80 0.47 0.00 -1.45 0.00 0.00 41.25 42.33 2kr1 s ASN 28 CO -0.16 -0.23 1.94 1.05 -3.72 0.00 0.00 177.10 175.98 2kr1 h GLU 29 N 8.08 1.06 -2.85 0.43 4.11 -1.95 -3.19 114.58 120.27 2kr1 h GLU 29 Ca -0.17 -0.06 -0.74 0.00 0.07 0.00 0.00 59.36 58.46 2kr1 h GLU 29 Cb 1.11 -0.24 -0.11 0.00 0.50 0.00 0.00 28.75 30.00 2kr1 h GLU 29 CO 0.11 0.70 2.50 1.19 0.07 0.00 0.00 179.01 183.58 2kr1 n PHE 30 N -4.44 2.66 -3.64 2.06 3.72 -1.26 -4.02 117.46 112.54 2kr1 n PHE 30 Ca 0.11 -2.85 -0.06 0.00 -0.05 0.00 0.00 57.45 54.61 2kr1 n PHE 30 Cb 0.10 -1.93 -0.07 0.00 -0.94 0.00 0.00 39.48 36.64 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 1.18 2.40 -0.04 0.00 0.00 -0.13 -3.10 121.76 122.08 2kr1 s ALA 32 Ca -0.07 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2kr1 s ALA 32 Cb -0.04 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kr1 s ALA 32 CO -0.14 -1.56 0.00 0.43 0.00 0.00 0.00 175.76 174.49 2kr1 n SER 33 N -3.29 -3.70 -4.40 0.00 7.64 -1.26 -3.42 113.62 105.19 2kr1 n SER 33 Ca 0.09 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 2kr1 n SER 33 Cb 0.53 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.36 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 6.21 0.00 0.00 0.00 0.13 -1.89 -2.57 132.00 133.88 2kr1 h PRO 35 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 2kr1 h PRO 35 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kr1 h PRO 35 CO 0.53 0.01 -0.27 1.79 -0.23 0.00 0.00 178.00 179.83 2kr1 h THR 36 N 0.00 0.62 -3.09 1.56 1.35 -1.91 -3.44 112.91 108.00 2kr1 h THR 36 Ca -0.00 -1.28 -0.57 0.00 -0.55 0.00 0.00 66.41 64.02 2kr1 h THR 36 Cb 0.28 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 2kr1 h THR 36 CO 0.00 0.26 0.74 0.12 -0.25 0.00 0.00 175.52 176.40 2kr1 s PHE 37 N -3.57 3.25 -0.07 4.73 5.36 -0.97 -5.00 117.98 121.70 2kr1 s PHE 37 Ca 0.01 1.35 -0.28 0.00 -0.96 0.00 0.00 56.93 57.04 2kr1 s PHE 37 Cb 0.10 -3.33 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 2kr1 s PHE 37 CO 0.65 -0.85 0.94 -1.17 -1.46 0.00 0.00 175.22 173.34 2kr1 s LEU 38 N 2.76 4.29 -0.34 6.12 2.96 -1.26 -4.95 118.68 128.26 2kr1 s LEU 38 Ca 0.50 1.49 -0.27 0.00 -0.22 0.00 0.00 54.13 55.63 2kr1 s LEU 38 Cb -0.19 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2kr1 s LEU 38 CO 0.14 -0.34 2.17 -0.13 -1.32 0.00 0.00 176.35 176.87 2kr1 s ARG 39 N 1.55 2.86 0.50 1.98 1.81 -1.26 -4.98 118.95 121.40 2kr1 s ARG 39 Ca 0.47 1.67 0.04 0.00 -1.72 0.00 0.00 55.73 56.18 2kr1 s ARG 39 Cb -0.19 -4.40 0.02 0.00 -0.45 0.00 0.00 34.95 29.93 2kr1 s ARG 39 CO 0.21 -2.42 0.69 0.00 -0.68 0.00 0.00 175.30 173.10 2kr1 s MET 40 N 6.79 2.68 0.80 3.54 0.23 -1.26 -5.12 119.30 126.97 2kr1 s MET 40 Ca 0.94 -0.92 -0.11 0.00 -1.03 0.00 0.00 55.69 54.57 2kr1 s MET 40 Cb -0.26 -2.59 0.07 0.00 -1.53 0.00 0.00 34.83 30.53 2kr1 s MET 40 CO 0.31 -0.52 1.09 0.34 -2.03 0.00 0.00 175.02 174.21 2kr1 s ASP 41 N -4.38 4.35 0.24 -1.18 2.15 -1.26 -4.85 116.67 111.74 2kr1 s ASP 41 Ca 0.56 1.53 -0.04 0.00 0.43 0.00 0.00 52.55 55.03 2kr1 s ASP 41 Cb -0.10 -2.26 0.27 0.00 -0.30 0.00 0.00 42.92 40.52 2kr1 s ASP 41 CO 0.36 -2.09 1.74 -0.55 -0.17 0.00 0.00 175.17 174.46 2kr1 h ASN 42 N -1.17 0.85 -0.38 -0.34 7.08 -2.00 0.47 115.58 120.09 2kr1 h ASN 42 Ca -0.46 -0.20 -0.08 0.00 -3.08 0.00 0.00 56.30 52.47 2kr1 h ASN 42 Cb 1.25 -0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 37.26 2kr1 h ASN 42 CO 0.56 0.89 -0.09 -1.13 -2.08 0.00 0.00 177.43 175.58 2kr1 h ASN 43 N 0.82 0.74 -0.94 6.14 -0.73 -1.99 -1.23 115.58 118.40 2kr1 h ASN 43 Ca 0.16 -0.36 -0.00 0.00 1.87 0.00 0.00 56.30 57.97 2kr1 h ASN 43 Cb 0.45 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 2kr1 h ASN 43 CO 0.02 0.93 0.58 0.00 -0.37 0.00 0.00 177.43 178.59 2kr1 h ALA 44 N 0.83 1.25 0.00 1.57 0.00 -1.87 -0.95 119.26 120.10 2kr1 h ALA 44 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kr1 h ALA 44 Cb 0.61 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2kr1 h ALA 44 CO 0.04 0.65 -0.51 0.00 0.00 0.00 0.00 179.25 179.43 2kr1 h ALA 45 N 1.35 0.87 -0.14 0.00 0.00 -0.80 -1.06 119.26 119.48 2kr1 h ALA 45 Ca 0.34 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 2kr1 h ALA 45 Cb -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kr1 h ALA 45 CO -0.07 0.64 -0.80 0.00 0.00 0.00 0.00 179.25 179.02 2kr1 h ALA 46 N 1.49 0.32 0.03 0.00 0.00 -0.72 -0.10 119.26 120.29 2kr1 h ALA 46 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kr1 h ALA 46 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kr1 h ALA 46 CO 0.07 0.69 -0.01 0.82 0.00 0.00 0.00 179.25 180.82 2kr1 h ILE 47 N 0.51 1.12 0.00 0.00 1.08 -1.09 -2.72 117.51 116.40 2kr1 h ILE 47 Ca -0.06 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 2kr1 h ILE 47 Cb 1.42 1.42 -0.00 0.00 -3.07 0.00 0.00 36.82 36.59 2kr1 h ILE 47 CO 0.16 0.12 -0.11 0.50 -0.69 0.00 0.00 178.15 178.13 2kr1 h LYS 48 N -0.24 0.00 -0.46 2.37 1.63 -1.24 -0.90 116.57 117.73 2kr1 h LYS 48 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2kr1 h LYS 48 Cb 0.22 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 2kr1 h LYS 48 CO 0.01 0.11 0.17 0.00 -3.45 0.00 0.00 179.45 176.28 2kr1 h ALA 49 N 1.89 0.60 -0.20 5.00 0.00 -0.86 -0.53 119.26 125.16 2kr1 h ALA 49 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 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 0.01 0.23 -0.44 -0.07 0.00 0.00 0.00 179.25 178.98 2kr1 h LEU 50 N 0.60 0.51 0.58 0.00 -0.00 -1.01 -1.39 115.31 114.60 2kr1 h LEU 50 Ca 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2kr1 h LEU 50 Cb 0.23 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.75 2kr1 h LEU 50 CO -0.01 0.89 -0.28 -0.33 -0.00 0.00 0.00 178.44 178.71 2kr1 h GLU 51 N 0.39 -0.75 0.00 1.13 4.39 -1.09 -2.73 114.58 115.93 2kr1 h GLU 51 Ca 0.03 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2kr1 h GLU 51 Cb 0.93 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2kr1 h GLU 51 CO 0.08 -0.44 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.42 2kr1 h LEU 52 N -1.07 0.00 0.53 1.33 3.38 -1.16 -1.88 115.31 116.44 2kr1 h LEU 52 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2kr1 h LEU 52 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2kr1 h LEU 52 CO 0.13 0.01 -0.26 0.22 0.09 0.00 0.00 178.44 178.63 2kr1 h TYR 53 N 0.00 -0.66 -0.01 1.13 3.20 -1.20 -1.06 116.97 118.36 2kr1 h TYR 53 Ca -0.00 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 2kr1 h TYR 53 Cb 0.02 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2kr1 h TYR 53 CO 0.00 -0.34 -0.85 1.57 -1.64 0.00 0.00 178.16 176.91 2kr1 h LYS 54 N -0.97 0.25 -0.00 1.82 2.10 -1.15 -2.77 116.57 115.84 2kr1 h LYS 54 Ca -0.07 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2kr1 h LYS 54 Cb 0.62 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2kr1 h LYS 54 CO 0.12 0.96 -0.05 0.44 -2.00 0.00 0.00 179.45 178.91 2kr1 n ILE 55 N -3.71 0.00 -3.42 0.07 -5.35 -0.74 -4.95 119.36 101.27 2kr1 n ILE 55 Ca -0.04 -0.01 -0.18 0.00 -0.27 0.00 0.00 62.75 62.26 2kr1 n ILE 55 Cb 0.78 -0.38 0.07 0.00 -1.74 0.00 0.00 39.64 38.37 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 -1.33 -3.54 -2.84 7.28 5.03 -0.85 -5.02 115.26 114.00 2kr1 n ASN 56 Ca 0.11 -0.69 -0.12 0.00 0.87 0.00 0.00 54.58 54.75 2kr1 n ASN 56 Cb 0.29 -4.94 0.09 0.00 -1.02 0.00 0.00 39.78 34.20 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kr1 n ALA 57 N -3.86 -0.90 -2.10 5.41 0.00 -0.46 -4.94 120.51 113.65 2kr1 n ALA 57 Ca -0.21 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 2kr1 n ALA 57 Cb 0.65 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -4.16 3.10 0.16 0.00 1.02 -1.26 -4.99 119.74 113.61 2kr1 s LYS 58 Ca 0.31 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 2kr1 s LYS 58 Cb -0.01 -4.24 -0.07 0.00 -0.52 0.00 0.00 37.83 32.99 2kr1 s LYS 58 CO 0.22 -2.15 1.01 -0.51 -0.92 0.00 0.00 175.35 173.00 2kr1 s LEU 59 N 7.41 4.53 -0.06 3.17 1.43 -1.26 -4.94 118.68 128.97 2kr1 s LEU 59 Ca 0.70 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.77 2kr1 s LEU 59 Cb -0.16 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 2kr1 s LEU 59 CO 0.28 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.79 2kr1 s ASP 61 N -3.90 6.13 0.29 0.00 1.11 -1.26 -4.98 116.67 114.06 2kr1 s ASP 61 Ca -0.04 2.28 -0.30 0.00 0.18 0.00 0.00 52.55 54.67 2kr1 s ASP 61 Cb 0.02 -2.60 -0.11 0.00 1.07 0.00 0.00 42.92 41.30 2kr1 s ASP 61 CO 0.21 -0.94 1.58 -2.16 1.18 0.00 0.00 175.17 175.03 2kr1 s PRO 62 N -2.78 4.14 -0.50 8.23 0.04 -1.26 -5.00 135.00 137.87 2kr1 s PRO 62 Ca 0.65 2.54 0.01 0.00 0.04 0.00 0.00 61.00 64.24 2kr1 s PRO 62 Cb -0.28 -3.03 0.13 0.00 0.04 0.00 0.00 34.50 31.36 2kr1 s PRO 62 CO 0.33 -0.61 0.26 -1.58 0.04 0.00 0.00 177.00 175.45 2kr1 s HIS 63 N 0.00 3.40 -2.00 0.56 2.46 -1.26 -5.09 115.29 113.37 2kr1 s HIS 63 Ca 0.63 -2.93 0.09 0.00 0.47 0.00 0.00 55.06 53.32 2kr1 s HIS 63 Cb -0.47 -2.99 0.54 0.00 -0.13 0.00 0.00 32.58 29.53 2kr1 s HIS 63 CO 0.47 -0.84 0.99 -2.30 -2.47 0.00 0.00 174.74 170.60