#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 n LYS 2 N 0.00 0.31 -0.09 0.03 4.81 -1.26 -2.94 118.16 119.02 2kr1 n LYS 2 Ca 0.00 0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.38 2kr1 n LYS 2 Cb 0.00 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 2kr1 n LYS 2 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2kr1 h ARG 3 N 0.00 0.42 -0.40 1.64 1.12 -2.05 0.11 114.38 115.22 2kr1 h ARG 3 Ca 0.00 -0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.74 2kr1 h ARG 3 Cb 0.28 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 2kr1 h ARG 3 CO 0.00 0.43 0.00 0.00 -3.11 0.00 0.00 179.97 177.29 2kr1 h ALA 4 N 0.97 0.54 -0.40 2.80 0.00 -1.96 -1.42 119.26 119.78 2kr1 h ALA 4 Ca 0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2kr1 h ALA 4 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kr1 h ALA 4 CO -0.01 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 2kr1 h ALA 5 N 0.89 1.19 -0.20 0.00 0.00 -1.54 0.06 119.26 119.66 2kr1 h ALA 5 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2kr1 h ALA 5 Cb 0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kr1 h ALA 5 CO 0.02 0.53 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 2kr1 h ALA 6 N 1.34 0.28 -0.72 0.00 0.00 -0.70 -0.68 119.26 118.79 2kr1 h ALA 6 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kr1 h ALA 6 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2kr1 h ALA 6 CO 0.02 0.16 0.45 -0.22 0.00 0.00 0.00 179.25 179.66 2kr1 h LYS 7 N 0.13 0.97 -0.33 0.00 3.64 -1.03 -0.67 116.57 119.26 2kr1 h LYS 7 Ca 0.04 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2kr1 h LYS 7 Cb 0.66 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2kr1 h LYS 7 CO 0.04 0.67 -0.44 0.45 -2.27 0.00 0.00 179.45 177.90 2kr1 h HIS 8 N 0.99 1.04 -0.38 1.91 3.86 -0.86 -1.58 115.15 120.12 2kr1 h HIS 8 Ca 0.26 -0.33 -0.14 0.00 -1.16 0.00 0.00 60.37 59.00 2kr1 h HIS 8 Cb -0.06 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2kr1 h HIS 8 CO 0.00 1.14 -0.32 -0.07 0.86 0.00 0.00 177.93 179.54 2kr1 h LEU 9 N 0.69 0.94 -0.88 2.43 -0.00 -0.66 0.14 115.31 117.97 2kr1 h LEU 9 Ca 0.04 -0.45 -0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2kr1 h LEU 9 Cb 1.02 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 2kr1 h LEU 9 CO 0.10 1.19 0.53 0.40 -0.00 0.00 0.00 178.44 180.66 2kr1 h ILE 10 N 0.69 1.24 -0.69 1.22 2.04 -1.16 -1.68 117.51 119.18 2kr1 h ILE 10 Ca 0.07 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2kr1 h ILE 10 Cb 0.90 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2kr1 h ILE 10 CO 0.08 0.25 0.18 -0.08 0.00 0.00 0.00 178.15 178.58 2kr1 h GLU 11 N 1.21 1.09 -0.27 2.37 4.22 -1.00 -1.45 114.58 120.75 2kr1 h GLU 11 Ca 0.32 -0.26 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 2kr1 h GLU 11 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2kr1 h GLU 11 CO -0.06 0.96 0.05 0.00 -2.18 0.00 0.00 179.01 177.79 2kr1 h ARG 12 N 1.02 0.43 -0.20 1.92 2.47 -0.17 0.82 114.38 120.68 2kr1 h ARG 12 Ca 0.22 -0.11 -0.17 0.00 -1.26 0.00 0.00 59.98 58.65 2kr1 h ARG 12 Cb 0.35 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2kr1 h ARG 12 CO 0.00 0.54 -0.58 1.88 0.56 0.00 0.00 179.97 182.37 2kr1 h TYR 13 N 0.26 0.82 -0.59 3.04 0.05 -1.35 -1.41 116.97 117.78 2kr1 h TYR 13 Ca 0.08 -0.30 -0.10 0.00 0.05 0.00 0.00 58.73 58.46 2kr1 h TYR 13 Cb 0.31 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2kr1 h TYR 13 CO 0.02 1.07 -0.04 -0.92 -1.05 0.00 0.00 178.16 177.24 2kr1 h TYR 14 N 0.49 1.18 -0.45 4.88 3.20 -1.15 -1.24 116.97 123.87 2kr1 h TYR 14 Ca 0.00 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.59 2kr1 h TYR 14 Cb 1.15 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2kr1 h TYR 14 CO 0.06 1.05 0.01 1.25 -1.64 0.00 0.00 178.16 178.89 2kr1 h HIS 15 N 0.97 0.77 -0.35 -3.82 2.76 -0.81 -1.63 115.15 113.04 2kr1 h HIS 15 Ca 0.16 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2kr1 h HIS 15 Cb 0.61 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2kr1 h HIS 15 CO 0.04 0.71 0.00 0.37 -1.30 0.00 0.00 177.93 177.76 2kr1 h GLN 16 N 0.69 0.62 -0.42 5.26 4.15 -0.92 -0.97 115.11 123.52 2kr1 h GLN 16 Ca 0.14 -0.20 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 2kr1 h GLN 16 Cb 0.41 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2kr1 h GLN 16 CO 0.02 0.73 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.29 2kr1 h LEU 17 N 0.43 0.94 0.00 -2.39 -0.00 -0.95 0.43 115.31 113.77 2kr1 h LEU 17 Ca 0.10 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 2kr1 h LEU 17 Cb 0.45 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2kr1 h LEU 17 CO 0.02 1.15 -0.34 0.71 -0.00 0.00 0.00 178.44 179.98 2kr1 h THR 18 N 0.76 0.26 0.00 0.22 1.35 -1.33 -3.37 112.91 110.80 2kr1 h THR 18 Ca 0.09 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2kr1 h THR 18 Cb 0.85 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2kr1 h THR 18 CO 0.07 0.09 -0.48 -0.62 -0.25 0.00 0.00 175.52 174.33 2kr1 n GLU 19 N -4.66 0.39 0.00 4.72 1.02 -0.47 -4.82 120.64 116.82 2kr1 n GLU 19 Ca -0.07 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2kr1 n GLU 19 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.61 0.84 0.00 0.62 0.00 -0.62 -4.41 105.19 103.24 2kr1 n GLY 20 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 2.00 3.60 0.00 0.00 -1.26 -4.97 105.19 104.55 2kr1 n GLY 22 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 5.46 0.32 1.61 2.47 -1.26 -4.88 114.94 118.65 2kr1 s ASN 23 Ca 0.00 1.89 0.07 0.00 0.42 0.00 0.00 52.86 55.24 2kr1 s ASN 23 Cb 0.00 -2.51 0.76 0.00 -1.45 0.00 0.00 41.25 38.05 2kr1 s ASN 23 CO 0.00 -1.96 1.81 1.05 -3.72 0.00 0.00 177.10 174.28 2kr1 h GLU 24 N 15.05 0.74 -3.71 0.43 -0.00 -1.93 -3.23 114.58 121.92 2kr1 h GLU 24 Ca -0.41 -0.04 -0.72 0.00 -0.00 0.00 0.00 59.36 58.19 2kr1 h GLU 24 Cb 1.24 -0.17 -0.07 0.00 -0.00 0.00 0.00 28.75 29.75 2kr1 h GLU 24 CO 0.96 0.49 2.87 0.00 -0.00 0.00 0.00 179.01 183.33 2kr1 n ALA 25 N -2.37 5.75 -3.75 1.06 0.00 -1.26 -4.79 120.51 115.15 2kr1 n ALA 25 Ca 0.21 -3.98 -0.28 0.00 0.00 0.00 0.00 53.44 49.39 2kr1 n ALA 25 Cb 0.54 -3.34 -0.16 0.00 0.00 0.00 0.00 19.45 16.49 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 4.98 4.66 -3.56 0.00 -2.24 -1.26 -4.58 114.28 112.27 2kr1 n THR 27 Ca -0.08 -4.90 -0.25 0.00 -2.27 0.00 0.00 64.05 56.55 2kr1 n THR 27 Cb 0.45 -2.27 -0.16 0.00 -2.10 0.00 0.00 70.33 66.26 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 0.08 2.52 0.58 3.42 3.84 -1.26 -5.02 114.94 119.09 2kr1 s ASN 28 Ca 0.37 -0.76 0.34 0.00 0.21 0.00 0.00 52.86 53.02 2kr1 s ASN 28 Cb 0.08 -0.15 1.80 0.00 -0.55 0.00 0.00 41.25 42.43 2kr1 s ASN 28 CO 0.04 -0.37 2.19 1.05 -2.79 0.00 0.00 177.10 177.21 2kr1 h GLU 29 N 8.40 0.00 -0.01 0.43 9.09 -1.89 -1.81 114.58 128.79 2kr1 h GLU 29 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2kr1 h GLU 29 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 2kr1 h GLU 29 CO 0.33 0.05 -0.09 1.19 0.05 0.00 0.00 179.01 180.53 2kr1 n PHE 30 N -3.44 0.00 -4.54 2.06 3.72 -1.26 -4.01 117.46 109.99 2kr1 n PHE 30 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 2kr1 n PHE 30 Cb 0.17 -0.10 -0.13 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.29 2.76 0.00 0.00 0.00 0.13 -3.19 121.76 121.75 2kr1 s ALA 32 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2kr1 s ALA 32 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2kr1 s ALA 32 CO 0.04 -0.70 0.00 0.43 0.00 0.00 0.00 175.76 175.53 2kr1 n SER 33 N -1.75 -1.46 -4.83 0.00 7.64 -1.26 -4.28 113.62 107.67 2kr1 n SER 33 Ca 0.09 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.63 2kr1 n SER 33 Cb 0.53 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 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 2.60 0.75 0.00 0.00 0.13 -1.87 -2.32 132.00 131.29 2kr1 h PRO 35 Ca -0.48 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kr1 h PRO 35 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kr1 h PRO 35 CO 0.65 0.54 0.00 0.25 -0.23 0.00 0.00 178.00 179.21 2kr1 n THR 36 N -4.41 0.48 -3.05 1.56 -2.24 -1.26 -4.77 114.28 100.59 2kr1 n THR 36 Ca 0.05 0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 2kr1 n THR 36 Cb 0.09 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 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 -3.05 3.81 0.09 4.78 5.36 -0.87 -4.60 117.98 123.49 2kr1 s PHE 37 Ca 0.10 1.47 0.08 0.00 -0.96 0.00 0.00 56.93 57.62 2kr1 s PHE 37 Cb 0.14 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 2kr1 s PHE 37 CO 0.45 0.42 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.97 2kr1 s LEU 38 N -0.64 2.82 0.05 6.12 2.01 -1.26 -4.85 118.68 122.92 2kr1 s LEU 38 Ca 0.35 -0.46 -0.31 0.00 0.01 0.00 0.00 54.13 53.72 2kr1 s LEU 38 Cb -0.21 -1.65 -0.07 0.00 0.01 0.00 0.00 46.19 44.27 2kr1 s LEU 38 CO 0.23 0.20 1.47 -0.13 1.01 0.00 0.00 176.35 179.12 2kr1 s ARG 39 N -2.01 4.27 0.45 1.70 1.81 -1.26 -5.03 118.95 118.88 2kr1 s ARG 39 Ca 0.18 2.10 0.07 0.00 -1.72 0.00 0.00 55.73 56.37 2kr1 s ARG 39 Cb -0.11 -3.49 -0.00 0.00 -0.45 0.00 0.00 34.95 30.90 2kr1 s ARG 39 CO 0.10 -0.58 0.42 0.00 -0.68 0.00 0.00 175.30 174.56 2kr1 s MET 40 N 2.11 2.48 0.55 3.54 0.23 -1.26 -5.15 119.30 121.79 2kr1 s MET 40 Ca 0.67 -1.62 -0.03 0.00 -1.03 0.00 0.00 55.69 53.68 2kr1 s MET 40 Cb -0.35 -2.37 0.01 0.00 -1.53 0.00 0.00 34.83 30.59 2kr1 s MET 40 CO 0.29 -0.33 0.81 0.34 -2.03 0.00 0.00 175.02 174.11 2kr1 s ASP 41 N -4.21 5.57 0.26 -1.18 2.15 -1.26 -4.94 116.67 113.07 2kr1 s ASP 41 Ca 0.47 0.45 -0.02 0.00 0.43 0.00 0.00 52.55 53.88 2kr1 s ASP 41 Cb -0.03 -1.49 0.34 0.00 -0.30 0.00 0.00 42.92 41.44 2kr1 s ASP 41 CO 0.28 -0.99 1.79 -1.13 -0.17 0.00 0.00 175.17 174.94 2kr1 h ASN 42 N 0.02 0.80 -0.10 -0.34 -1.24 -2.01 0.95 115.58 113.66 2kr1 h ASN 42 Ca -0.45 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.39 2kr1 h ASN 42 Cb 1.26 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.10 2kr1 h ASN 42 CO 0.58 0.81 0.06 0.78 -1.29 0.00 0.00 177.43 178.37 2kr1 h ASN 43 N 0.80 0.13 0.07 1.15 2.35 -2.00 -2.67 115.58 115.41 2kr1 h ASN 43 Ca 0.17 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2kr1 h ASN 43 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2kr1 h ASN 43 CO 0.01 0.18 -0.11 0.00 -1.65 0.00 0.00 177.43 175.86 2kr1 h ALA 44 N 0.95 1.69 -0.32 -0.83 0.00 -1.83 -1.78 119.26 117.14 2kr1 h ALA 44 Ca 0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2kr1 h ALA 44 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kr1 h ALA 44 CO -0.01 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.20 2kr1 h ALA 45 N 1.79 0.47 -0.18 0.00 0.00 -0.72 -1.41 119.26 119.20 2kr1 h ALA 45 Ca 0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2kr1 h ALA 45 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kr1 h ALA 45 CO 0.02 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.65 2kr1 h ALA 46 N 0.74 0.25 -0.07 0.00 0.00 -1.11 -1.41 119.26 117.66 2kr1 h ALA 46 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kr1 h ALA 46 Cb 0.84 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kr1 h ALA 46 CO 0.07 0.08 0.04 0.82 0.00 0.00 0.00 179.25 180.26 2kr1 h ILE 47 N 0.06 1.05 -0.68 0.00 1.08 -1.38 -2.39 117.51 115.25 2kr1 h ILE 47 Ca 0.04 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 2kr1 h ILE 47 Cb 0.58 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 2kr1 h ILE 47 CO 0.03 0.04 0.29 0.50 -0.69 0.00 0.00 178.15 178.32 2kr1 h LYS 48 N 0.07 0.99 -0.79 2.37 1.63 -1.29 -0.81 116.57 118.73 2kr1 h LYS 48 Ca 0.03 -0.15 0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2kr1 h LYS 48 Cb 0.03 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 2kr1 h LYS 48 CO -0.01 0.79 0.50 0.00 -3.45 0.00 0.00 179.45 177.29 2kr1 h ALA 49 N 1.35 1.05 -0.00 5.00 0.00 -1.05 -1.67 119.26 123.94 2kr1 h ALA 49 Ca 0.23 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2kr1 h ALA 49 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kr1 h ALA 49 CO -0.02 0.30 -0.78 -0.07 0.00 0.00 0.00 179.25 178.68 2kr1 h LEU 50 N 0.97 0.05 -0.14 0.00 -0.00 -0.88 -1.10 115.31 114.21 2kr1 h LEU 50 Ca 0.32 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2kr1 h LEU 50 Cb 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2kr1 h LEU 50 CO -0.12 0.81 0.07 -0.33 -0.00 0.00 0.00 178.44 178.86 2kr1 h GLU 51 N 0.02 0.19 -0.02 1.13 4.39 -0.73 -1.95 114.58 117.62 2kr1 h GLU 51 Ca -0.01 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2kr1 h GLU 51 Cb 1.37 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 2kr1 h GLU 51 CO 0.10 0.22 -0.70 -0.07 -1.16 0.00 0.00 179.01 177.41 2kr1 h LEU 52 N 0.11 0.12 -0.20 1.33 3.38 -1.30 -2.65 115.31 116.10 2kr1 h LEU 52 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kr1 h LEU 52 Cb 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kr1 h LEU 52 CO -0.01 0.78 0.08 0.22 0.09 0.00 0.00 178.44 179.60 2kr1 h TYR 53 N 0.07 0.31 -0.02 1.13 3.20 -1.15 -0.54 116.97 119.96 2kr1 h TYR 53 Ca -0.01 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.64 2kr1 h TYR 53 Cb 1.24 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2kr1 h TYR 53 CO 0.01 0.35 -0.83 1.57 -1.64 0.00 0.00 178.16 177.63 2kr1 h LYS 54 N 0.17 0.28 0.00 1.82 2.10 -1.29 -3.12 116.57 116.52 2kr1 h LYS 54 Ca 0.07 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2kr1 h LYS 54 Cb 0.18 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2kr1 h LYS 54 CO -0.01 0.96 -0.57 0.44 -2.00 0.00 0.00 179.45 178.27 2kr1 n ILE 55 N -3.74 0.35 -3.21 0.07 -5.35 -1.01 -5.00 119.36 101.48 2kr1 n ILE 55 Ca -0.04 -0.26 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 2kr1 n ILE 55 Cb 0.77 -0.14 0.04 0.00 -1.74 0.00 0.00 39.64 38.56 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 -2.08 -7.01 -4.05 7.28 5.03 -0.31 -5.03 115.26 109.09 2kr1 n ASN 56 Ca 0.04 -0.47 -0.30 0.00 0.87 0.00 0.00 54.58 54.72 2kr1 n ASN 56 Cb 0.43 -5.04 0.20 0.00 -1.02 0.00 0.00 39.78 34.35 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 -3.22 1.86 -0.66 5.41 0.00 -0.61 -4.91 121.76 119.63 2kr1 s ALA 57 Ca 0.25 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 2kr1 s ALA 57 Cb -0.04 -2.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.16 2kr1 s ALA 57 CO 0.76 -2.71 2.42 0.36 0.00 0.00 0.00 175.76 176.59 2kr1 n LYS 58 N -4.00 0.74 -3.05 0.00 2.85 -1.26 -4.93 118.16 108.52 2kr1 n LYS 58 Ca 0.15 -0.34 -0.40 0.00 -1.05 0.00 0.00 58.31 56.67 2kr1 n LYS 58 Cb 0.59 -3.32 -0.05 0.00 -0.65 0.00 0.00 35.03 31.60 2kr1 n LYS 58 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kr1 s LEU 59 N 12.54 4.19 -0.66 -5.58 2.96 -1.26 -4.96 118.68 125.90 2kr1 s LEU 59 Ca 1.00 0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 55.63 2kr1 s LEU 59 Cb -0.25 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.45 2kr1 s LEU 59 CO 0.22 -0.27 1.33 0.00 -1.32 0.00 0.00 176.35 176.30 2kr1 s ASP 61 N 4.00 6.01 -0.23 0.00 -4.77 -1.26 -4.97 116.67 115.45 2kr1 s ASP 61 Ca 0.42 2.42 -0.29 0.00 -3.30 0.00 0.00 52.55 51.80 2kr1 s ASP 61 Cb -0.09 -2.61 -0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2kr1 s ASP 61 CO 0.19 -1.04 1.22 -2.16 0.70 0.00 0.00 175.17 174.09 2kr1 s PRO 62 N -2.70 4.12 -0.47 2.11 0.04 -1.26 -5.01 135.00 131.84 2kr1 s PRO 62 Ca 0.65 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 2kr1 s PRO 62 Cb -0.32 -3.78 0.04 0.00 0.04 0.00 0.00 34.50 30.48 2kr1 s PRO 62 CO 0.38 -0.84 0.61 -1.01 0.04 0.00 0.00 177.00 176.18 2kr1 s HIS 63 N 3.74 3.07 -1.95 0.56 3.76 -1.26 -5.28 115.29 117.93 2kr1 s HIS 63 Ca 0.53 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2kr1 s HIS 63 Cb -0.18 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.15 2kr1 s HIS 63 CO 0.16 -0.92 0.49 -2.30 -0.85 0.00 0.00 174.74 171.32