#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 3.11 0.33 3.17 2.20 -1.26 -4.93 119.74 122.36 2kr1 s LYS 2 Ca 0.00 -0.98 0.26 0.00 -0.36 0.00 0.00 55.97 54.89 2kr1 s LYS 2 Cb 0.00 -4.14 1.13 0.00 -1.51 0.00 0.00 37.83 33.30 2kr1 s LYS 2 CO 0.00 -1.32 1.77 0.00 -0.36 0.00 0.00 175.35 175.44 2kr1 h ARG 3 N 9.06 0.00 -0.04 4.03 -0.00 -2.05 -1.26 114.38 124.12 2kr1 h ARG 3 Ca -0.28 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.03 2kr1 h ARG 3 Cb 1.09 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.07 2kr1 h ARG 3 CO 1.01 0.00 -0.65 0.00 0.00 0.00 0.00 179.97 180.33 2kr1 h ALA 4 N 2.17 0.14 -0.20 0.04 0.00 -1.98 -0.56 119.26 118.87 2kr1 h ALA 4 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2kr1 h ALA 4 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kr1 h ALA 4 CO 0.00 0.43 -0.40 0.00 0.00 0.00 0.00 179.25 179.28 2kr1 h ALA 5 N 0.40 0.93 -0.23 0.00 0.00 -1.85 -1.02 119.26 117.48 2kr1 h ALA 5 Ca -0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2kr1 h ALA 5 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kr1 h ALA 5 CO 0.13 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.96 2kr1 h ALA 6 N 1.19 0.32 -0.62 0.00 0.00 -1.30 -1.43 119.26 117.42 2kr1 h ALA 6 Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kr1 h ALA 6 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kr1 h ALA 6 CO 0.07 0.11 0.18 -0.22 0.00 0.00 0.00 179.25 179.39 2kr1 h LYS 7 N 0.18 0.98 -0.16 0.00 1.63 -0.99 -1.36 116.57 116.85 2kr1 h LYS 7 Ca 0.06 -0.22 -0.10 0.00 -0.85 0.00 0.00 60.65 59.54 2kr1 h LYS 7 Cb 0.51 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2kr1 h LYS 7 CO 0.02 0.88 -0.34 0.45 -3.45 0.00 0.00 179.45 177.01 2kr1 h HIS 8 N 0.90 0.38 -0.22 1.91 3.86 -1.21 0.88 115.15 121.66 2kr1 h HIS 8 Ca 0.20 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2kr1 h HIS 8 Cb 0.32 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2kr1 h HIS 8 CO 0.02 0.64 -0.11 1.25 0.86 0.00 0.00 177.93 180.60 2kr1 h LEU 9 N 0.29 0.48 -1.19 2.43 7.12 -0.87 -0.82 115.31 122.74 2kr1 h LEU 9 Ca 0.03 -0.41 -0.05 0.00 0.13 0.00 0.00 57.88 57.58 2kr1 h LEU 9 Cb 0.75 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 2kr1 h LEU 9 CO 0.06 0.78 -0.02 0.40 -0.13 0.00 0.00 178.44 179.53 2kr1 h ILE 10 N 0.17 1.20 -0.63 4.05 2.04 -1.19 -2.57 117.51 120.59 2kr1 h ILE 10 Ca 0.05 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2kr1 h ILE 10 Cb 0.60 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2kr1 h ILE 10 CO 0.03 0.28 0.29 -0.08 0.00 0.00 0.00 178.15 178.67 2kr1 h GLU 11 N 0.51 0.91 -0.17 2.37 4.22 -0.53 -0.74 114.58 121.15 2kr1 h GLU 11 Ca 0.11 -0.14 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 2kr1 h GLU 11 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kr1 h GLU 11 CO 0.01 0.74 -0.37 0.00 -2.18 0.00 0.00 179.01 177.22 2kr1 h ARG 12 N 0.86 0.37 -0.21 1.92 3.08 -0.85 0.11 114.38 119.66 2kr1 h ARG 12 Ca 0.21 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 2kr1 h ARG 12 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2kr1 h ARG 12 CO -0.02 0.69 -0.42 1.88 -1.07 0.00 0.00 179.97 181.03 2kr1 h TYR 13 N 0.31 0.83 -0.45 3.04 0.05 -1.25 -1.05 116.97 118.46 2kr1 h TYR 13 Ca 0.03 -0.30 -0.14 0.00 0.05 0.00 0.00 58.73 58.38 2kr1 h TYR 13 Cb 0.79 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2kr1 h TYR 13 CO 0.02 1.07 -0.26 -0.92 -1.05 0.00 0.00 178.16 177.02 2kr1 h TYR 14 N 0.36 1.12 -0.65 4.88 3.20 -0.98 -2.23 116.97 122.67 2kr1 h TYR 14 Ca 0.01 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 2kr1 h TYR 14 Cb 1.02 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2kr1 h TYR 14 CO 0.09 1.11 0.21 1.25 -1.64 0.00 0.00 178.16 179.18 2kr1 h HIS 15 N 0.82 1.04 -0.64 -3.82 2.76 -0.84 -1.81 115.15 112.68 2kr1 h HIS 15 Ca 0.10 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kr1 h HIS 15 Cb 0.84 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2kr1 h HIS 15 CO 0.05 0.84 0.39 0.37 -1.30 0.00 0.00 177.93 178.29 2kr1 h GLN 16 N 0.94 0.85 -0.02 5.26 4.15 -0.94 0.57 115.11 125.94 2kr1 h GLN 16 Ca 0.21 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.40 2kr1 h GLN 16 Cb 0.28 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.80 2kr1 h GLN 16 CO -0.01 0.59 -0.63 -0.07 -1.93 0.00 0.00 178.83 176.78 2kr1 h LEU 17 N 0.87 0.58 0.00 -2.39 3.38 -1.07 0.11 115.31 116.79 2kr1 h LEU 17 Ca 0.23 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kr1 h LEU 17 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kr1 h LEU 17 CO -0.05 1.24 -0.00 0.71 0.09 0.00 0.00 178.44 180.43 2kr1 h THR 18 N -0.02 0.25 0.02 0.22 1.35 -1.18 -3.37 112.91 110.18 2kr1 h THR 18 Ca -0.07 -1.19 -0.38 0.00 -0.55 0.00 0.00 66.41 64.21 2kr1 h THR 18 Cb 1.32 0.48 -0.05 0.00 -1.73 0.00 0.00 68.15 68.17 2kr1 h THR 18 CO 0.12 0.09 -2.21 -0.62 -0.25 0.00 0.00 175.52 172.65 2kr1 n GLU 19 N -4.76 0.64 0.00 4.72 1.02 0.01 -4.88 120.64 117.39 2kr1 n GLU 19 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2kr1 n GLU 19 Cb 0.07 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 1.74 1.01 0.00 0.62 0.00 -0.17 -4.41 105.19 103.98 2kr1 n GLY 20 Ca -0.44 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 2.36 3.54 0.00 0.00 -1.26 -4.99 105.19 104.84 2kr1 n GLY 22 Ca 0.00 -0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.49 2kr1 n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kr1 n ASN 23 N 0.98 2.77 -0.04 1.61 4.13 -1.26 -4.90 115.26 118.55 2kr1 n ASN 23 Ca 0.00 0.38 -0.09 0.00 1.68 0.00 0.00 54.58 56.54 2kr1 n ASN 23 Cb 0.00 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 36.81 2kr1 n ASN 23 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2kr1 h GLU 24 N 13.25 -0.32 -1.73 3.52 4.57 -1.94 -2.97 114.58 128.95 2kr1 h GLU 24 Ca -0.35 0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 57.14 2kr1 h GLU 24 Cb 1.28 0.07 -0.32 0.00 -0.16 0.00 0.00 28.75 29.63 2kr1 h GLU 24 CO 0.99 -0.22 0.49 0.00 -1.18 0.00 0.00 179.01 179.09 2kr1 n ALA 25 N -2.89 6.06 -1.77 2.92 0.00 -1.26 -4.69 120.51 118.88 2kr1 n ALA 25 Ca -0.02 -4.11 -0.40 0.00 0.00 0.00 0.00 53.44 48.91 2kr1 n ALA 25 Cb 0.33 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 0.85 2.51 -3.59 0.00 5.66 -1.26 -4.33 114.28 114.13 2kr1 n THR 27 Ca -0.00 -5.07 -0.01 0.00 -3.05 0.00 0.00 64.05 55.92 2kr1 n THR 27 Cb 0.43 -2.26 -0.04 0.00 -1.55 0.00 0.00 70.33 66.91 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 -1.02 -0.97 0.32 1.09 2.47 -1.26 -5.05 114.94 110.52 2kr1 s ASN 28 Ca 0.28 1.36 0.25 0.00 0.42 0.00 0.00 52.86 55.17 2kr1 s ASN 28 Cb -0.03 2.04 1.10 0.00 -1.45 0.00 0.00 41.25 42.92 2kr1 s ASN 28 CO -0.12 -0.19 1.76 1.05 -3.72 0.00 0.00 177.10 175.87 2kr1 h GLU 29 N 7.74 0.00 -0.66 0.43 4.11 -1.94 -1.88 114.58 122.38 2kr1 h GLU 29 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2kr1 h GLU 29 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kr1 h GLU 29 CO 0.10 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.37 2kr1 n PHE 30 N -2.37 1.47 -4.64 2.06 3.72 -1.26 -4.20 117.46 112.23 2kr1 n PHE 30 Ca 0.01 -0.59 -0.23 0.00 -0.05 0.00 0.00 57.45 56.59 2kr1 n PHE 30 Cb 0.20 -0.23 -0.16 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.03 2.55 -0.34 0.00 0.00 0.36 -3.24 121.76 121.12 2kr1 s ALA 32 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2kr1 s ALA 32 Cb -0.09 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kr1 s ALA 32 CO 0.01 -1.39 0.00 0.45 0.00 0.00 0.00 175.76 174.84 2kr1 n SER 33 N -3.24 -4.75 -4.84 0.00 2.88 -1.26 -4.15 113.62 98.26 2kr1 n SER 33 Ca 0.08 0.08 -0.36 0.00 -1.33 0.00 0.00 58.87 57.33 2kr1 n SER 33 Cb 0.54 -2.53 -0.07 0.00 -0.75 0.00 0.00 64.21 61.40 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 4.95 0.00 -0.01 0.00 0.13 -1.88 -2.95 132.00 132.25 2kr1 h PRO 35 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kr1 h PRO 35 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kr1 h PRO 35 CO 0.58 0.20 -0.06 0.25 -0.23 0.00 0.00 178.00 178.73 2kr1 n THR 36 N -4.15 0.00 -2.63 1.56 -2.24 -1.26 -4.87 114.28 100.69 2kr1 n THR 36 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2kr1 n THR 36 Cb 0.27 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.24 3.44 -0.27 4.78 5.36 -1.12 -4.65 117.98 123.27 2kr1 s PHE 37 Ca 0.35 1.50 -0.23 0.00 -0.96 0.00 0.00 56.93 57.59 2kr1 s PHE 37 Cb 0.21 -3.25 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 2kr1 s PHE 37 CO 0.42 -0.49 0.78 -1.17 -1.46 0.00 0.00 175.22 173.29 2kr1 s LEU 38 N 2.01 4.08 0.72 6.12 2.96 -1.26 -5.00 118.68 128.30 2kr1 s LEU 38 Ca 0.50 0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 55.09 2kr1 s LEU 38 Cb -0.20 -3.08 0.03 0.00 0.50 0.00 0.00 46.19 43.44 2kr1 s LEU 38 CO 0.19 -0.53 1.14 -0.13 -1.32 0.00 0.00 176.35 175.70 2kr1 s ARG 39 N 2.84 2.38 0.20 1.98 3.00 -1.26 -5.05 118.95 123.03 2kr1 s ARG 39 Ca 0.32 1.48 -0.01 0.00 0.00 0.00 0.00 55.73 57.52 2kr1 s ARG 39 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 34.95 32.87 2kr1 s ARG 39 CO 0.10 -1.59 0.11 0.00 0.00 0.00 0.00 175.30 173.92 2kr1 s MET 40 N -4.21 1.20 0.61 3.54 0.23 -1.26 -5.14 119.30 114.27 2kr1 s MET 40 Ca 0.68 -1.63 -0.05 0.00 -1.03 0.00 0.00 55.69 53.66 2kr1 s MET 40 Cb -0.23 0.17 0.03 0.00 -1.53 0.00 0.00 34.83 33.28 2kr1 s MET 40 CO 0.46 -0.36 0.91 0.34 -2.03 0.00 0.00 175.02 174.34 2kr1 s ASP 41 N -3.17 5.32 0.30 -1.18 2.15 -1.26 -4.93 116.67 113.91 2kr1 s ASP 41 Ca 0.37 0.53 0.02 0.00 0.43 0.00 0.00 52.55 53.90 2kr1 s ASP 41 Cb 0.07 -1.42 0.49 0.00 -0.30 0.00 0.00 42.92 41.76 2kr1 s ASP 41 CO 0.11 -1.22 1.83 -0.55 -0.17 0.00 0.00 175.17 175.17 2kr1 h ASN 42 N -0.25 0.61 -0.27 -0.34 -1.07 -2.02 0.43 115.58 112.66 2kr1 h ASN 42 Ca -0.45 -0.12 -0.15 0.00 0.07 0.00 0.00 56.30 55.64 2kr1 h ASN 42 Cb 1.28 -0.16 -0.00 0.00 -2.07 0.00 0.00 38.32 37.37 2kr1 h ASN 42 CO 0.59 0.67 -0.43 0.78 0.07 0.00 0.00 177.43 179.11 2kr1 h ASN 43 N 0.61 0.85 -0.53 6.14 2.35 -1.99 -1.76 115.58 121.25 2kr1 h ASN 43 Ca 0.13 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 2kr1 h ASN 43 Cb 0.37 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2kr1 h ASN 43 CO 0.01 1.20 0.21 0.00 -1.65 0.00 0.00 177.43 177.20 2kr1 h ALA 44 N 0.67 1.28 -0.11 -0.83 0.00 -1.86 -1.75 119.26 116.66 2kr1 h ALA 44 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2kr1 h ALA 44 Cb 1.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kr1 h ALA 44 CO 0.10 0.52 -0.67 0.00 0.00 0.00 0.00 179.25 179.21 2kr1 h ALA 45 N 1.40 0.63 0.03 0.00 0.00 -0.87 -0.74 119.26 119.70 2kr1 h ALA 45 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kr1 h ALA 45 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kr1 h ALA 45 CO -0.01 0.73 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 2kr1 h ALA 46 N 0.95 -0.04 0.12 0.00 0.00 -0.99 -1.24 119.26 118.05 2kr1 h ALA 46 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kr1 h ALA 46 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kr1 h ALA 46 CO 0.12 -0.43 -0.06 0.82 0.00 0.00 0.00 179.25 179.70 2kr1 h ILE 47 N -0.23 0.90 -0.88 0.00 1.08 -1.35 -2.89 117.51 114.13 2kr1 h ILE 47 Ca -0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2kr1 h ILE 47 Cb 0.21 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 2kr1 h ILE 47 CO 0.01 0.01 0.57 0.50 -0.69 0.00 0.00 178.15 178.54 2kr1 h LYS 48 N -0.18 1.18 -0.64 2.37 1.63 -1.12 -0.43 116.57 119.39 2kr1 h LYS 48 Ca -0.02 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2kr1 h LYS 48 Cb 0.14 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2kr1 h LYS 48 CO 0.03 0.80 0.37 0.00 -3.45 0.00 0.00 179.45 177.20 2kr1 h ALA 49 N 1.31 0.81 -0.35 5.00 0.00 -1.21 -0.12 119.26 124.71 2kr1 h ALA 49 Ca 0.32 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2kr1 h ALA 49 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2kr1 h ALA 49 CO -0.07 0.30 -0.18 -0.07 0.00 0.00 0.00 179.25 179.23 2kr1 h LEU 50 N 0.86 0.64 -0.24 0.00 -0.00 -1.14 -1.40 115.31 114.04 2kr1 h LEU 50 Ca 0.23 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2kr1 h LEU 50 Cb -0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2kr1 h LEU 50 CO -0.04 0.83 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.79 2kr1 h GLU 51 N 0.58 0.50 0.00 1.13 4.39 -0.59 -1.51 114.58 119.08 2kr1 h GLU 51 Ca 0.09 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kr1 h GLU 51 Cb 0.63 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2kr1 h GLU 51 CO 0.04 0.76 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.31 2kr1 h LEU 52 N 0.22 0.00 -0.01 1.33 3.38 -1.01 -2.38 115.31 116.83 2kr1 h LEU 52 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kr1 h LEU 52 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kr1 h LEU 52 CO 0.03 0.27 -0.03 0.22 0.09 0.00 0.00 178.44 179.02 2kr1 h TYR 53 N 0.00 0.05 -0.10 1.13 3.20 -1.05 -0.39 116.97 119.81 2kr1 h TYR 53 Ca -0.00 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 2kr1 h TYR 53 Cb 0.53 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2kr1 h TYR 53 CO 0.00 0.63 -0.60 1.57 -1.64 0.00 0.00 178.16 178.11 2kr1 h LYS 54 N -0.53 0.35 0.00 1.82 2.10 -1.19 -2.78 116.57 116.34 2kr1 h LYS 54 Ca -0.00 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2kr1 h LYS 54 Cb 0.62 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2kr1 h LYS 54 CO 0.01 0.85 -0.41 -0.84 -2.00 0.00 0.00 179.45 177.05 2kr1 h ILE 55 N 0.26 0.00 -5.37 0.07 3.07 -1.56 -3.49 117.51 110.49 2kr1 h ILE 55 Ca -0.01 -0.87 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 2kr1 h ILE 55 Cb 1.12 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 2kr1 h ILE 55 CO 0.10 0.00 -0.02 0.59 -1.05 0.00 0.00 178.15 177.77 2kr1 n ASN 56 N -2.74 -7.78 -2.07 2.16 3.02 -0.69 -5.06 115.26 102.10 2kr1 n ASN 56 Ca 0.03 -0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 2kr1 n ASN 56 Cb 0.51 -5.31 0.01 0.00 -0.61 0.00 0.00 39.78 34.38 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kr1 n ALA 57 N -1.80 -0.04 -1.88 5.41 0.00 -0.24 -4.95 120.51 117.01 2kr1 n ALA 57 Ca -0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 2kr1 n ALA 57 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.95 2.37 -0.55 0.00 -0.14 -1.26 -4.93 119.74 112.27 2kr1 s LYS 58 Ca 0.03 0.56 -0.24 0.00 -1.36 0.00 0.00 55.97 54.96 2kr1 s LYS 58 Cb -0.00 -4.63 0.04 0.00 -1.68 0.00 0.00 37.83 31.56 2kr1 s LYS 58 CO 0.02 -3.21 0.92 -1.17 -0.76 0.00 0.00 175.35 171.15 2kr1 s LEU 59 N 10.69 4.17 -1.07 3.17 2.96 -1.26 -4.92 118.68 132.41 2kr1 s LEU 59 Ca 0.78 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 54.07 2kr1 s LEU 59 Cb -0.12 -2.79 0.08 0.00 0.50 0.00 0.00 46.19 43.86 2kr1 s LEU 59 CO 0.15 -1.22 1.45 0.00 -1.32 0.00 0.00 176.35 175.41 2kr1 s ASP 61 N 4.41 5.85 -0.40 0.00 -4.77 -1.26 -4.87 116.67 115.63 2kr1 s ASP 61 Ca 0.45 1.46 -0.29 0.00 -3.30 0.00 0.00 52.55 50.88 2kr1 s ASP 61 Cb -0.00 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 2kr1 s ASP 61 CO -0.06 -1.12 1.50 -2.16 0.70 0.00 0.00 175.17 174.04 2kr1 s PRO 62 N -5.15 3.51 0.14 2.11 0.04 -1.26 -5.02 135.00 129.37 2kr1 s PRO 62 Ca 0.56 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.73 2kr1 s PRO 62 Cb -0.12 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2kr1 s PRO 62 CO 0.54 -1.65 -0.17 -3.38 0.04 0.00 0.00 177.00 172.39 2kr1 s HIS 63 N 5.79 2.53 -2.00 0.56 -3.43 -1.26 -5.28 115.29 112.20 2kr1 s HIS 63 Ca 0.65 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.66 2kr1 s HIS 63 Cb -0.16 -1.31 0.04 0.00 -1.43 0.00 0.00 32.58 29.73 2kr1 s HIS 63 CO 0.33 0.43 0.54 -0.35 -2.00 0.00 0.00 174.74 173.68