#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 3.29 0.81 3.17 2.20 -1.26 -4.85 119.74 123.11 2kr1 s LYS 2 Ca 0.00 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.70 2kr1 s LYS 2 Cb 0.00 -5.20 0.18 0.00 -1.51 0.00 0.00 37.83 31.30 2kr1 s LYS 2 CO 0.00 -2.50 1.11 0.54 -0.36 0.00 0.00 175.35 174.14 2kr1 n ARG 3 N 8.92 -0.63 -0.12 4.03 5.12 -1.26 -4.90 116.66 127.81 2kr1 n ARG 3 Ca 0.33 -2.32 -0.11 0.00 -1.93 0.00 0.00 57.85 53.81 2kr1 n ARG 3 Cb 0.50 -0.96 -0.02 0.00 -1.16 0.00 0.00 32.46 30.82 2kr1 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kr1 h ALA 4 N -1.17 0.50 -0.21 7.54 0.00 -1.99 -0.71 119.26 123.23 2kr1 h ALA 4 Ca -0.36 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2kr1 h ALA 4 Cb 1.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kr1 h ALA 4 CO 0.32 0.36 -0.44 0.00 0.00 0.00 0.00 179.25 179.48 2kr1 h ALA 5 N 0.82 0.84 -0.56 0.00 0.00 -1.98 -1.66 119.26 116.72 2kr1 h ALA 5 Ca 0.09 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2kr1 h ALA 5 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2kr1 h ALA 5 CO 0.04 0.65 0.04 0.00 0.00 0.00 0.00 179.25 179.98 2kr1 h ALA 6 N 1.10 0.75 -0.46 0.00 0.00 -1.87 -0.43 119.26 118.35 2kr1 h ALA 6 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kr1 h ALA 6 Cb 0.94 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kr1 h ALA 6 CO 0.08 0.54 0.18 0.87 0.00 0.00 0.00 179.25 180.92 2kr1 h LYS 7 N 0.84 0.69 -0.46 0.00 1.79 -1.03 -1.74 116.57 116.66 2kr1 h LYS 7 Ca 0.16 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2kr1 h LYS 7 Cb 0.48 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2kr1 h LYS 7 CO 0.02 0.62 0.22 0.45 -1.08 0.00 0.00 179.45 179.68 2kr1 h HIS 8 N 0.60 0.63 -0.23 -1.35 3.86 -1.14 -1.43 115.15 116.08 2kr1 h HIS 8 Ca 0.15 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 2kr1 h HIS 8 Cb 0.20 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kr1 h HIS 8 CO 0.00 0.47 -0.51 1.25 0.86 0.00 0.00 177.93 180.01 2kr1 h LEU 9 N 0.65 0.70 -0.83 2.43 7.12 -0.69 -0.47 115.31 124.22 2kr1 h LEU 9 Ca 0.16 -0.36 -0.08 0.00 0.13 0.00 0.00 57.88 57.74 2kr1 h LEU 9 Cb 0.07 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2kr1 h LEU 9 CO -0.02 1.08 0.04 0.40 -0.13 0.00 0.00 178.44 179.81 2kr1 h ILE 10 N 0.50 1.25 -0.06 4.05 2.04 -1.00 -2.45 117.51 121.85 2kr1 h ILE 10 Ca 0.02 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 2kr1 h ILE 10 Cb 1.06 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2kr1 h ILE 10 CO 0.10 0.37 -0.25 -0.33 0.00 0.00 0.00 178.15 178.04 2kr1 h GLU 11 N 0.85 0.10 -0.15 2.37 4.39 -0.78 -0.20 114.58 121.16 2kr1 h GLU 11 Ca 0.17 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 2kr1 h GLU 11 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kr1 h GLU 11 CO 0.02 0.34 -0.02 0.00 -1.16 0.00 0.00 179.01 178.20 2kr1 h ARG 12 N 0.09 0.28 -0.35 2.33 2.47 -0.73 -1.19 114.38 117.28 2kr1 h ARG 12 Ca 0.01 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 2kr1 h ARG 12 Cb 0.49 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2kr1 h ARG 12 CO 0.03 0.54 -0.19 1.88 0.56 0.00 0.00 179.97 182.79 2kr1 h TYR 13 N 0.00 0.74 -0.01 3.04 0.05 -1.29 -0.80 116.97 118.70 2kr1 h TYR 13 Ca 0.04 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 2kr1 h TYR 13 Cb 0.42 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 2kr1 h TYR 13 CO 0.04 0.81 -0.00 -0.92 -1.05 0.00 0.00 178.16 177.04 2kr1 h TYR 14 N 0.59 0.02 0.00 4.88 3.20 -1.01 -2.25 116.97 122.40 2kr1 h TYR 14 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2kr1 h TYR 14 Cb 0.65 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2kr1 h TYR 14 CO 0.03 0.43 -0.21 1.25 -1.64 0.00 0.00 178.16 178.02 2kr1 h HIS 15 N -0.39 0.00 -0.72 -3.82 2.76 -1.23 -1.07 115.15 110.67 2kr1 h HIS 15 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2kr1 h HIS 15 Cb 0.42 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2kr1 h HIS 15 CO 0.07 0.21 0.21 0.37 -1.30 0.00 0.00 177.93 177.48 2kr1 h GLN 16 N 0.00 1.14 0.04 5.26 4.15 -0.97 0.69 115.11 125.41 2kr1 h GLN 16 Ca -0.00 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.11 2kr1 h GLN 16 Cb 0.38 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.92 2kr1 h GLN 16 CO 0.03 0.98 -0.23 -0.07 -1.93 0.00 0.00 178.83 177.61 2kr1 h LEU 17 N 1.08 0.13 0.00 -2.39 3.38 -0.79 0.70 115.31 117.42 2kr1 h LEU 17 Ca 0.23 -0.99 -0.23 0.00 0.09 0.00 0.00 57.88 56.98 2kr1 h LEU 17 Cb 0.33 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2kr1 h LEU 17 CO -0.00 1.11 -1.19 0.71 0.09 0.00 0.00 178.44 179.16 2kr1 h THR 18 N -0.83 1.46 0.00 0.22 1.35 -1.32 -3.40 112.91 110.39 2kr1 h THR 18 Ca -0.04 -3.21 -0.02 0.00 -0.55 0.00 0.00 66.41 62.59 2kr1 h THR 18 Cb 1.18 2.72 -0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2kr1 h THR 18 CO 0.04 0.83 -0.64 -0.62 -0.25 0.00 0.00 175.52 174.89 2kr1 n GLU 19 N -3.26 0.06 0.00 4.72 -0.58 -0.70 -5.06 120.64 115.81 2kr1 n GLU 19 Ca -0.05 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2kr1 n GLU 19 Cb 0.97 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 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 3.05 0.31 0.00 0.62 0.00 0.15 -4.74 105.19 104.59 2kr1 n GLY 20 Ca -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 2.89 3.66 0.00 0.00 -1.26 -5.03 105.19 105.46 2kr1 n GLY 22 Ca 0.00 -0.23 -0.53 0.00 0.00 0.00 0.00 46.02 45.26 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 0.46 2.77 -0.07 1.61 4.13 -1.26 -4.89 115.26 118.01 2kr1 n ASN 23 Ca 0.00 0.94 -0.10 0.00 1.68 0.00 0.00 54.58 57.10 2kr1 n ASN 23 Cb 0.00 -1.25 -0.04 0.00 -1.54 0.00 0.00 39.78 36.96 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 8.73 0.34 -4.43 3.52 4.57 -1.95 -3.39 114.58 121.96 2kr1 h GLU 24 Ca -0.45 -0.06 -0.72 0.00 -1.18 0.00 0.00 59.36 56.96 2kr1 h GLU 24 Cb 1.30 -0.06 -0.28 0.00 -0.16 0.00 0.00 28.75 29.55 2kr1 h GLU 24 CO 0.97 0.38 -0.46 0.00 -1.18 0.00 0.00 179.01 178.72 2kr1 s ALA 25 N -5.57 3.30 -0.03 2.92 0.00 -1.26 -4.90 121.76 116.21 2kr1 s ALA 25 Ca -0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 51.96 49.60 2kr1 s ALA 25 Cb 0.08 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2kr1 s ALA 25 CO 0.71 -1.69 0.06 0.00 0.00 0.00 0.00 175.76 174.85 2kr1 s THR 27 N 0.61 3.64 -0.23 0.00 2.01 -1.26 -4.46 115.64 115.96 2kr1 s THR 27 Ca -0.05 -3.73 -0.10 0.00 0.31 0.00 0.00 61.69 58.12 2kr1 s THR 27 Cb -0.07 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.20 2kr1 s THR 27 CO -0.02 -0.99 0.52 0.21 -0.69 0.00 0.00 174.62 173.65 2kr1 s ASN 28 N -0.34 -0.65 0.42 3.53 2.47 -1.26 -5.04 114.94 114.06 2kr1 s ASN 28 Ca 0.23 1.18 0.29 0.00 0.42 0.00 0.00 52.86 54.99 2kr1 s ASN 28 Cb -0.11 1.34 1.41 0.00 -1.45 0.00 0.00 41.25 42.44 2kr1 s ASN 28 CO -0.10 -0.22 1.88 1.05 -3.72 0.00 0.00 177.10 175.99 2kr1 h GLU 29 N 7.54 0.00 -0.03 0.43 4.11 -1.94 -1.89 114.58 122.80 2kr1 h GLU 29 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2kr1 h GLU 29 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kr1 h GLU 29 CO 0.18 0.00 -0.01 1.19 0.07 0.00 0.00 179.01 180.44 2kr1 n PHE 30 N -2.58 0.00 -4.40 2.06 3.72 -1.26 -4.42 117.46 110.57 2kr1 n PHE 30 Ca -0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 2kr1 n PHE 30 Cb 0.15 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.65 2.86 0.00 0.00 0.00 0.23 -3.19 121.76 121.01 2kr1 s ALA 32 Ca 0.10 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kr1 s ALA 32 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kr1 s ALA 32 CO 0.02 -0.48 0.00 0.43 0.00 0.00 0.00 175.76 175.73 2kr1 n SER 33 N -0.90 -1.63 -4.85 0.00 7.64 -1.26 -4.58 113.62 108.04 2kr1 n SER 33 Ca 0.09 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 2kr1 n SER 33 Cb 0.51 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 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 2.03 0.26 -0.62 0.00 0.11 -1.89 -2.52 132.00 129.37 2kr1 h PRO 35 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kr1 h PRO 35 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kr1 h PRO 35 CO 0.65 0.17 0.00 0.25 -0.21 0.00 0.00 178.00 178.86 2kr1 n THR 36 N -5.10 0.97 -4.30 -1.15 -2.24 -1.26 -4.87 114.28 96.33 2kr1 n THR 36 Ca 0.07 -0.58 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2kr1 n THR 36 Cb 0.28 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.71 2.90 -0.02 4.78 5.36 -0.95 -4.77 117.98 123.57 2kr1 s PHE 37 Ca 0.25 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.21 2kr1 s PHE 37 Cb 0.17 -1.56 -0.01 0.00 -0.34 0.00 0.00 43.02 41.28 2kr1 s PHE 37 CO 0.11 0.42 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.64 2kr1 s LEU 38 N -1.83 1.96 -0.14 6.12 1.43 -1.26 -4.85 118.68 120.10 2kr1 s LEU 38 Ca 0.21 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 2kr1 s LEU 38 Cb -0.11 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 2kr1 s LEU 38 CO 0.12 0.15 1.66 -0.13 0.23 0.00 0.00 176.35 178.38 2kr1 s ARG 39 N -0.17 3.95 0.49 1.70 1.81 -1.26 -5.02 118.95 120.45 2kr1 s ARG 39 Ca 0.02 1.92 -0.01 0.00 -1.72 0.00 0.00 55.73 55.94 2kr1 s ARG 39 Cb -0.07 -4.03 -0.00 0.00 -0.45 0.00 0.00 34.95 30.40 2kr1 s ARG 39 CO 0.00 -1.12 0.74 0.00 -0.68 0.00 0.00 175.30 174.24 2kr1 s MET 40 N 4.44 3.03 0.90 3.54 0.23 -1.26 -5.11 119.30 125.07 2kr1 s MET 40 Ca 0.73 -0.35 -0.11 0.00 -1.03 0.00 0.00 55.69 54.94 2kr1 s MET 40 Cb -0.29 -2.48 0.13 0.00 -1.53 0.00 0.00 34.83 30.67 2kr1 s MET 40 CO 0.29 -0.39 1.10 0.34 -2.03 0.00 0.00 175.02 174.33 2kr1 s ASP 41 N -4.24 3.28 0.28 -1.18 2.15 -1.26 -4.79 116.67 110.92 2kr1 s ASP 41 Ca 0.50 1.78 -0.01 0.00 0.43 0.00 0.00 52.55 55.25 2kr1 s ASP 41 Cb -0.10 -2.40 0.41 0.00 -0.30 0.00 0.00 42.92 40.53 2kr1 s ASP 41 CO 0.40 -2.80 1.83 -0.55 -0.17 0.00 0.00 175.17 173.88 2kr1 h ASN 42 N -1.66 0.78 0.26 -0.34 -1.07 -1.99 0.92 115.58 112.47 2kr1 h ASN 42 Ca -0.47 -0.13 -0.20 0.00 0.07 0.00 0.00 56.30 55.56 2kr1 h ASN 42 Cb 1.27 -0.20 -0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2kr1 h ASN 42 CO 0.49 0.75 -0.82 0.78 0.07 0.00 0.00 177.43 178.70 2kr1 h ASN 43 N 0.81 0.54 -0.23 6.14 2.35 -1.99 -0.99 115.58 122.21 2kr1 h ASN 43 Ca 0.18 -0.39 -0.11 0.00 -0.55 0.00 0.00 56.30 55.44 2kr1 h ASN 43 Cb 0.27 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2kr1 h ASN 43 CO -0.00 1.16 -0.22 0.00 -1.65 0.00 0.00 177.43 176.71 2kr1 h ALA 44 N 0.82 0.95 0.00 -0.83 0.00 -1.82 -1.85 119.26 116.53 2kr1 h ALA 44 Ca -0.05 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2kr1 h ALA 44 Cb 1.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2kr1 h ALA 44 CO 0.14 0.61 -0.70 0.00 0.00 0.00 0.00 179.25 179.30 2kr1 h ALA 45 N 1.15 0.82 -0.00 0.00 0.00 -0.79 -1.08 119.26 119.36 2kr1 h ALA 45 Ca 0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kr1 h ALA 45 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kr1 h ALA 45 CO 0.05 0.88 -0.00 0.00 0.00 0.00 0.00 179.25 180.18 2kr1 h ALA 46 N 1.30 0.01 -0.13 0.00 0.00 -0.95 -0.38 119.26 119.11 2kr1 h ALA 46 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kr1 h ALA 46 Cb 1.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2kr1 h ALA 46 CO 0.09 -0.34 0.09 0.82 0.00 0.00 0.00 179.25 179.91 2kr1 h ILE 47 N -0.30 1.03 -0.50 0.00 1.08 -1.34 -2.73 117.51 114.76 2kr1 h ILE 47 Ca 0.00 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 64.36 2kr1 h ILE 47 Cb 0.32 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2kr1 h ILE 47 CO 0.00 0.03 0.12 0.50 -0.69 0.00 0.00 178.15 178.12 2kr1 h LYS 48 N 0.18 0.75 -0.71 2.37 1.63 -1.20 -1.00 116.57 118.60 2kr1 h LYS 48 Ca 0.05 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 2kr1 h LYS 48 Cb -0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 2kr1 h LYS 48 CO -0.01 0.68 0.36 0.00 -3.45 0.00 0.00 179.45 177.03 2kr1 h ALA 49 N 1.41 0.91 -0.35 5.00 0.00 -0.91 0.35 119.26 125.67 2kr1 h ALA 49 Ca 0.16 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2kr1 h ALA 49 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kr1 h ALA 49 CO -0.00 0.45 -0.27 -0.07 0.00 0.00 0.00 179.25 179.36 2kr1 h LEU 50 N 0.98 0.73 -0.31 0.00 -0.00 -1.11 -1.71 115.31 113.89 2kr1 h LEU 50 Ca 0.24 -0.28 -0.17 0.00 -0.00 0.00 0.00 57.88 57.68 2kr1 h LEU 50 Cb 0.09 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2kr1 h LEU 50 CO -0.03 0.96 -0.48 -0.33 -0.00 0.00 0.00 178.44 178.56 2kr1 h GLU 51 N 0.61 0.87 0.00 1.13 4.39 -0.73 -1.67 114.58 119.19 2kr1 h GLU 51 Ca 0.08 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.16 2kr1 h GLU 51 Cb 0.77 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2kr1 h GLU 51 CO 0.06 1.16 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.57 2kr1 h LEU 52 N 0.66 0.00 0.21 1.33 3.38 -0.95 -2.63 115.31 117.31 2kr1 h LEU 52 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kr1 h LEU 52 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kr1 h LEU 52 CO 0.11 0.43 -0.10 0.22 0.09 0.00 0.00 178.44 179.19 2kr1 h TYR 53 N 0.00 -0.26 -0.77 1.13 3.20 -1.16 -1.13 116.97 117.99 2kr1 h TYR 53 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2kr1 h TYR 53 Cb 0.86 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 2kr1 h TYR 53 CO 0.00 0.13 0.35 1.57 -1.64 0.00 0.00 178.16 178.58 2kr1 h LYS 54 N -0.76 1.11 0.00 1.82 2.10 -1.28 -2.38 116.57 117.17 2kr1 h LYS 54 Ca -0.03 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2kr1 h LYS 54 Cb 0.51 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2kr1 h LYS 54 CO 0.05 0.87 -0.18 -0.84 -2.00 0.00 0.00 179.45 177.35 2kr1 h ILE 55 N 1.08 0.01 -5.59 0.07 3.07 -1.60 -3.49 117.51 111.06 2kr1 h ILE 55 Ca 0.26 -1.01 -0.09 0.00 1.55 0.00 0.00 64.86 65.58 2kr1 h ILE 55 Cb 0.14 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2kr1 h ILE 55 CO -0.03 0.00 -0.36 0.59 -1.05 0.00 0.00 178.15 177.30 2kr1 n ASN 56 N -3.03 -7.34 -2.34 2.16 4.13 -0.67 -5.06 115.26 103.11 2kr1 n ASN 56 Ca 0.03 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2kr1 n ASN 56 Cb 0.54 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.12 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kr1 n ALA 57 N -1.33 0.00 -2.01 5.41 0.00 -0.52 -4.93 120.51 117.14 2kr1 n ALA 57 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2kr1 n ALA 57 Cb 0.52 0.00 -0.04 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 -2.16 2.54 0.06 0.00 -0.14 -1.26 -4.96 119.74 113.81 2kr1 s LYS 58 Ca 0.00 0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.58 2kr1 s LYS 58 Cb 0.00 -4.68 -0.05 0.00 -1.68 0.00 0.00 37.83 31.42 2kr1 s LYS 58 CO 0.00 -3.08 1.02 -1.17 -0.76 0.00 0.00 175.35 171.36 2kr1 s LEU 59 N 9.82 4.42 -0.89 3.17 2.96 -1.26 -4.87 118.68 132.02 2kr1 s LEU 59 Ca 0.71 1.79 -0.15 0.00 -0.22 0.00 0.00 54.13 56.26 2kr1 s LEU 59 Cb -0.10 -3.58 0.20 0.00 0.50 0.00 0.00 46.19 43.21 2kr1 s LEU 59 CO 0.12 -0.24 0.90 0.00 -1.32 0.00 0.00 176.35 175.81 2kr1 s ASP 61 N 2.44 6.55 -0.37 0.00 1.11 -1.26 -5.00 116.67 120.14 2kr1 s ASP 61 Ca 0.23 2.04 -0.28 0.00 0.18 0.00 0.00 52.55 54.72 2kr1 s ASP 61 Cb -0.09 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 2kr1 s ASP 61 CO -0.09 -0.64 1.80 -2.16 1.18 0.00 0.00 175.17 175.27 2kr1 s PRO 62 N -2.75 3.24 -0.49 8.23 0.04 -1.26 -4.98 135.00 137.03 2kr1 s PRO 62 Ca 0.61 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2kr1 s PRO 62 Cb -0.21 -4.22 0.07 0.00 0.04 0.00 0.00 34.50 30.18 2kr1 s PRO 62 CO 0.26 -1.98 0.47 -1.01 0.04 0.00 0.00 177.00 174.78 2kr1 s HIS 63 N 7.20 3.18 -2.00 0.56 3.76 -1.26 -5.28 115.29 121.44 2kr1 s HIS 63 Ca 0.78 -0.81 0.16 0.00 -0.15 0.00 0.00 55.06 55.04 2kr1 s HIS 63 Cb -0.21 -3.30 0.94 0.00 1.11 0.00 0.00 32.58 31.12 2kr1 s HIS 63 CO 0.32 -0.88 1.35 -2.30 -0.85 0.00 0.00 174.74 172.38