#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 2.88 0.09 0.03 1.02 -1.26 -4.73 119.74 117.77 2kr1 s LYS 2 Ca 0.00 1.24 -0.15 0.00 0.02 0.00 0.00 55.97 57.08 2kr1 s LYS 2 Cb 0.00 -4.34 0.03 0.00 -0.52 0.00 0.00 37.83 32.99 2kr1 s LYS 2 CO 0.00 -2.40 0.36 0.50 -0.92 0.00 0.00 175.35 172.88 2kr1 s ARG 3 N 6.62 0.97 0.26 1.68 3.52 -1.26 -5.03 118.95 125.71 2kr1 s ARG 3 Ca 0.81 -0.65 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 2kr1 s ARG 3 Cb -0.20 0.42 0.34 0.00 -1.56 0.00 0.00 34.95 33.96 2kr1 s ARG 3 CO 0.28 -0.35 1.62 0.00 -0.81 0.00 0.00 175.30 176.04 2kr1 h ALA 4 N 2.67 0.96 -0.57 6.12 0.00 -1.98 -0.27 119.26 126.19 2kr1 h ALA 4 Ca -0.33 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 2kr1 h ALA 4 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2kr1 h ALA 4 CO 0.48 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.58 2kr1 h ALA 5 N 1.29 0.75 -0.28 0.00 0.00 -1.97 0.28 119.26 119.34 2kr1 h ALA 5 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kr1 h ALA 5 Cb 1.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kr1 h ALA 5 CO 0.08 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.86 2kr1 h ALA 6 N 1.04 0.36 -0.82 0.00 0.00 -1.80 -1.60 119.26 116.44 2kr1 h ALA 6 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kr1 h ALA 6 Cb 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2kr1 h ALA 6 CO -0.00 -0.03 0.54 -0.22 0.00 0.00 0.00 179.25 179.54 2kr1 h LYS 7 N 0.29 1.07 -0.05 0.00 3.64 -0.94 -0.74 116.57 119.84 2kr1 h LYS 7 Ca 0.09 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 2kr1 h LYS 7 Cb 0.20 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2kr1 h LYS 7 CO -0.01 0.71 -0.74 1.25 -2.27 0.00 0.00 179.45 178.39 2kr1 h HIS 8 N 1.11 0.43 -0.29 1.91 2.76 -0.78 0.43 115.15 120.71 2kr1 h HIS 8 Ca 0.30 -0.20 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 2kr1 h HIS 8 Cb -0.12 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2kr1 h HIS 8 CO -0.00 0.94 -0.34 -0.07 -1.30 0.00 0.00 177.93 177.16 2kr1 h LEU 9 N 0.21 0.81 -1.01 0.26 -0.00 -0.95 -0.63 115.31 114.00 2kr1 h LEU 9 Ca -0.03 -0.49 -0.07 0.00 -0.00 0.00 0.00 57.88 57.30 2kr1 h LEU 9 Cb 1.32 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2kr1 h LEU 9 CO 0.12 1.13 -0.02 0.40 -0.00 0.00 0.00 178.44 180.08 2kr1 h ILE 10 N 0.51 1.23 -0.47 1.22 2.04 -1.08 -1.05 117.51 119.91 2kr1 h ILE 10 Ca 0.04 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 2kr1 h ILE 10 Cb 0.92 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2kr1 h ILE 10 CO 0.08 0.33 0.20 -0.08 0.00 0.00 0.00 178.15 178.69 2kr1 h GLU 11 N 0.65 0.68 -0.23 2.37 4.57 -0.78 0.15 114.58 121.99 2kr1 h GLU 11 Ca 0.13 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2kr1 h GLU 11 Cb 0.43 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2kr1 h GLU 11 CO 0.02 0.60 0.05 0.00 -1.18 0.00 0.00 179.01 178.50 2kr1 h ARG 12 N 0.61 0.37 -0.20 1.92 2.47 -0.78 -1.23 114.38 117.53 2kr1 h ARG 12 Ca 0.16 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.61 2kr1 h ARG 12 Cb 0.16 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2kr1 h ARG 12 CO -0.02 0.48 -0.58 1.88 0.56 0.00 0.00 179.97 182.30 2kr1 h TYR 13 N 0.19 0.83 0.06 3.04 0.05 -1.18 -1.83 116.97 118.12 2kr1 h TYR 13 Ca 0.07 -0.30 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 2kr1 h TYR 13 Cb 0.28 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2kr1 h TYR 13 CO 0.01 1.07 -0.03 -0.92 -1.05 0.00 0.00 178.16 177.25 2kr1 h TYR 14 N 0.49 -0.07 -0.13 4.88 3.20 -0.95 -2.42 116.97 121.97 2kr1 h TYR 14 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kr1 h TYR 14 Cb 1.15 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2kr1 h TYR 14 CO 0.06 0.39 0.09 1.25 -1.64 0.00 0.00 178.16 178.30 2kr1 h HIS 15 N -0.56 0.16 -0.67 -3.82 2.76 -1.32 -1.00 115.15 110.70 2kr1 h HIS 15 Ca -0.01 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2kr1 h HIS 15 Cb 0.49 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2kr1 h HIS 15 CO 0.08 0.10 0.25 0.37 -1.30 0.00 0.00 177.93 177.43 2kr1 h GLN 16 N 0.17 1.01 0.16 5.26 4.15 -1.16 0.28 115.11 124.98 2kr1 h GLN 16 Ca 0.05 -0.19 -0.31 0.00 0.77 0.00 0.00 58.65 58.97 2kr1 h GLN 16 Cb -0.01 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.53 2kr1 h GLN 16 CO -0.01 0.85 -1.43 -0.07 -1.93 0.00 0.00 178.83 176.24 2kr1 h LEU 17 N 0.95 0.52 0.00 -2.39 3.38 -0.87 -0.04 115.31 116.86 2kr1 h LEU 17 Ca 0.22 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2kr1 h LEU 17 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2kr1 h LEU 17 CO -0.02 1.50 -0.34 0.71 0.09 0.00 0.00 178.44 180.39 2kr1 h THR 18 N 0.09 0.56 0.00 0.22 1.35 -1.27 -3.36 112.91 110.49 2kr1 h THR 18 Ca -0.21 -1.50 -0.36 0.00 -0.55 0.00 0.00 66.41 63.79 2kr1 h THR 18 Cb 2.04 1.14 -0.07 0.00 -1.73 0.00 0.00 68.15 69.53 2kr1 h THR 18 CO 0.20 0.19 -2.35 -0.62 -0.25 0.00 0.00 175.52 172.70 2kr1 n GLU 19 N -4.64 0.80 0.00 4.72 -0.58 -0.32 -4.81 120.64 115.80 2kr1 n GLU 19 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2kr1 n GLU 19 Cb 0.29 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 1.84 0.80 0.40 0.62 0.00 0.83 -4.59 105.19 105.08 2kr1 n GLY 20 Ca -0.33 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 2.50 3.64 0.00 0.00 -1.26 -5.00 105.19 105.07 2kr1 n GLY 22 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 6.54 0.06 1.61 2.47 -1.26 -4.93 114.94 119.44 2kr1 s ASN 23 Ca 0.00 1.70 -0.21 0.00 0.42 0.00 0.00 52.86 54.77 2kr1 s ASN 23 Cb 0.00 -2.53 -0.12 0.00 -1.45 0.00 0.00 41.25 37.15 2kr1 s ASN 23 CO 0.00 -1.11 1.52 -0.08 -3.72 0.00 0.00 177.10 173.71 2kr1 h GLU 24 N 10.01 0.26 -3.46 0.43 4.81 -1.92 -3.33 114.58 121.38 2kr1 h GLU 24 Ca -0.33 -0.07 -0.70 0.00 -0.13 0.00 0.00 59.36 58.13 2kr1 h GLU 24 Cb 1.14 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2kr1 h GLU 24 CO 0.99 0.45 3.33 0.00 -0.73 0.00 0.00 179.01 183.05 2kr1 n ALA 25 N -2.29 6.48 -3.34 2.92 0.00 -1.26 -4.25 120.51 118.77 2kr1 n ALA 25 Ca -0.05 -3.77 -0.34 0.00 0.00 0.00 0.00 53.44 49.27 2kr1 n ALA 25 Cb 0.19 -3.39 -0.14 0.00 0.00 0.00 0.00 19.45 16.11 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 4.36 4.10 -3.55 0.00 5.66 -1.26 -4.80 114.28 118.79 2kr1 n THR 27 Ca -0.18 -3.84 -0.13 0.00 -3.05 0.00 0.00 64.05 56.85 2kr1 n THR 27 Cb 0.51 -2.44 -0.11 0.00 -1.55 0.00 0.00 70.33 66.74 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 1.67 0.46 0.38 1.09 3.84 -1.26 -5.03 114.94 116.09 2kr1 s ASN 28 Ca 0.44 0.38 0.27 0.00 0.21 0.00 0.00 52.86 54.17 2kr1 s ASN 28 Cb 0.12 0.83 1.34 0.00 -0.55 0.00 0.00 41.25 43.00 2kr1 s ASN 28 CO -0.04 -0.27 1.83 1.05 -2.79 0.00 0.00 177.10 176.88 2kr1 h GLU 29 N 8.25 0.00 -3.25 0.43 4.11 -1.87 -3.24 114.58 119.01 2kr1 h GLU 29 Ca -0.16 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.61 2kr1 h GLU 29 Cb 1.13 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.99 2kr1 h GLU 29 CO 0.20 0.00 -0.38 -0.06 0.07 0.00 0.00 179.01 178.83 2kr1 s PHE 30 N -3.59 3.63 -0.30 2.06 0.08 -1.26 -3.71 117.98 114.89 2kr1 s PHE 30 Ca -0.01 -3.14 -0.15 0.00 0.12 0.00 0.00 56.93 53.75 2kr1 s PHE 30 Cb 0.08 -2.97 0.15 0.00 -0.57 0.00 0.00 43.02 39.72 2kr1 s PHE 30 CO 0.32 -0.67 0.92 0.00 -0.10 0.00 0.00 175.22 175.70 2kr1 s ALA 32 N 2.18 2.59 -0.15 0.00 0.00 -0.05 -2.60 121.76 123.71 2kr1 s ALA 32 Ca -0.05 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2kr1 s ALA 32 Cb -0.06 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2kr1 s ALA 32 CO -0.17 -1.02 0.00 0.45 0.00 0.00 0.00 175.76 175.02 2kr1 n SER 33 N -1.68 -4.50 -4.57 0.00 2.88 -1.26 -4.14 113.62 100.35 2kr1 n SER 33 Ca 0.12 0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.35 2kr1 n SER 33 Cb 0.51 -2.13 -0.11 0.00 -0.75 0.00 0.00 64.21 61.73 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 5.76 0.00 0.00 0.00 0.13 -1.88 -2.10 132.00 133.91 2kr1 h PRO 35 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kr1 h PRO 35 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kr1 h PRO 35 CO 0.56 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.12 2kr1 h THR 36 N 0.00 0.00 -3.36 1.56 1.35 -1.90 -3.43 112.91 107.13 2kr1 h THR 36 Ca 0.00 -0.50 -0.64 0.00 -0.55 0.00 0.00 66.41 64.72 2kr1 h THR 36 Cb 0.42 1.43 -0.22 0.00 -1.73 0.00 0.00 68.15 68.05 2kr1 h THR 36 CO 0.00 0.00 -0.66 0.12 -0.25 0.00 0.00 175.52 174.73 2kr1 s PHE 37 N -3.47 3.03 -0.42 4.73 5.36 -0.79 -4.64 117.98 121.78 2kr1 s PHE 37 Ca 0.04 -0.37 -0.21 0.00 -0.96 0.00 0.00 56.93 55.42 2kr1 s PHE 37 Cb 0.09 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2kr1 s PHE 37 CO 0.52 -0.13 0.66 -1.17 -1.46 0.00 0.00 175.22 173.65 2kr1 s LEU 38 N 0.64 4.40 0.92 6.12 2.96 -1.26 -4.79 118.68 127.68 2kr1 s LEU 38 Ca -0.01 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2kr1 s LEU 38 Cb -0.14 -2.78 0.14 0.00 0.50 0.00 0.00 46.19 43.92 2kr1 s LEU 38 CO 0.02 -0.75 1.10 -0.13 -1.32 0.00 0.00 176.35 175.27 2kr1 s ARG 39 N 2.86 1.04 0.24 1.98 3.00 -1.26 -5.07 118.95 121.74 2kr1 s ARG 39 Ca 0.24 1.15 -0.05 0.00 0.00 0.00 0.00 55.73 57.06 2kr1 s ARG 39 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 34.95 33.03 2kr1 s ARG 39 CO 0.19 -2.48 0.31 0.00 0.00 0.00 0.00 175.30 173.31 2kr1 s MET 40 N -4.76 1.43 0.89 3.54 0.23 -1.26 -5.16 119.30 114.22 2kr1 s MET 40 Ca 0.65 -1.51 -0.14 0.00 -1.03 0.00 0.00 55.69 53.66 2kr1 s MET 40 Cb -0.21 0.37 0.14 0.00 -1.53 0.00 0.00 34.83 33.60 2kr1 s MET 40 CO 0.58 -0.54 1.22 0.16 -2.03 0.00 0.00 175.02 174.41 2kr1 s ASP 41 N -3.12 3.72 0.28 -1.18 -4.77 -1.26 -4.83 116.67 105.51 2kr1 s ASP 41 Ca 0.32 0.62 0.00 0.00 -3.30 0.00 0.00 52.55 50.19 2kr1 s ASP 41 Cb 0.03 -0.96 0.42 0.00 -1.09 0.00 0.00 42.92 41.32 2kr1 s ASP 41 CO 0.12 -2.38 1.78 -0.55 0.70 0.00 0.00 175.17 174.84 2kr1 h ASN 42 N -1.39 0.64 -0.08 2.11 -1.07 -2.01 -0.58 115.58 113.19 2kr1 h ASN 42 Ca -0.46 -0.16 -0.22 0.00 0.07 0.00 0.00 56.30 55.53 2kr1 h ASN 42 Cb 1.30 -0.17 0.01 0.00 -2.07 0.00 0.00 38.32 37.39 2kr1 h ASN 42 CO 0.54 0.74 -0.79 0.78 0.07 0.00 0.00 177.43 178.77 2kr1 h ASN 43 N 0.62 0.89 -0.53 6.14 2.35 -1.99 -1.58 115.58 121.47 2kr1 h ASN 43 Ca 0.12 -0.59 -0.10 0.00 -0.55 0.00 0.00 56.30 55.18 2kr1 h ASN 43 Cb 0.47 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2kr1 h ASN 43 CO 0.02 1.39 -0.04 0.00 -1.65 0.00 0.00 177.43 177.15 2kr1 h ALA 44 N 0.59 0.88 0.00 -0.83 0.00 -1.89 -2.21 119.26 115.82 2kr1 h ALA 44 Ca -0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2kr1 h ALA 44 Cb 1.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kr1 h ALA 44 CO 0.16 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 179.57 2kr1 h ALA 45 N 1.05 1.05 0.06 0.00 0.00 -1.07 -0.45 119.26 119.90 2kr1 h ALA 45 Ca 0.16 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kr1 h ALA 45 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kr1 h ALA 45 CO 0.03 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 2kr1 h ALA 46 N 1.51 -0.08 -0.33 0.00 0.00 -1.06 -0.86 119.26 118.45 2kr1 h ALA 46 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kr1 h ALA 46 Cb 0.95 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kr1 h ALA 46 CO 0.06 -0.33 0.20 0.82 0.00 0.00 0.00 179.25 180.01 2kr1 h ILE 47 N -0.52 1.11 -0.59 0.00 1.08 -1.39 -2.80 117.51 114.40 2kr1 h ILE 47 Ca -0.01 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 2kr1 h ILE 47 Cb 0.45 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2kr1 h ILE 47 CO 0.01 0.10 0.18 0.50 -0.69 0.00 0.00 178.15 178.26 2kr1 h LYS 48 N 0.42 0.90 -0.65 2.37 1.63 -1.12 -1.52 116.57 118.60 2kr1 h LYS 48 Ca 0.12 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2kr1 h LYS 48 Cb -0.00 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 2kr1 h LYS 48 CO -0.02 0.78 0.37 0.00 -3.45 0.00 0.00 179.45 177.13 2kr1 h ALA 49 N 1.33 0.83 -0.03 5.00 0.00 -0.97 -0.09 119.26 125.33 2kr1 h ALA 49 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2kr1 h ALA 49 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kr1 h ALA 49 CO -0.01 0.33 -0.50 -0.07 0.00 0.00 0.00 179.25 179.00 2kr1 h LEU 50 N 0.89 0.07 -0.40 0.00 -0.00 -1.21 -0.51 115.31 114.15 2kr1 h LEU 50 Ca 0.23 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.97 2kr1 h LEU 50 Cb 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2kr1 h LEU 50 CO -0.04 0.56 -0.17 -0.33 -0.00 0.00 0.00 178.44 178.47 2kr1 h GLU 51 N 0.05 0.82 0.00 1.13 4.39 -0.72 -2.05 114.58 118.21 2kr1 h GLU 51 Ca -0.00 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.26 2kr1 h GLU 51 Cb 0.91 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2kr1 h GLU 51 CO 0.07 0.98 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.42 2kr1 h LEU 52 N 0.63 0.00 -0.00 1.33 3.38 -0.87 -2.49 115.31 117.30 2kr1 h LEU 52 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kr1 h LEU 52 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2kr1 h LEU 52 CO 0.05 0.40 -0.00 0.22 0.09 0.00 0.00 178.44 179.21 2kr1 h TYR 53 N 0.00 0.00 -0.09 1.13 3.20 -0.98 -1.06 116.97 119.17 2kr1 h TYR 53 Ca -0.00 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 2kr1 h TYR 53 Cb 0.85 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 2kr1 h TYR 53 CO 0.00 0.44 -0.76 1.57 -1.64 0.00 0.00 178.16 177.77 2kr1 h LYS 54 N -0.43 0.49 0.00 1.82 2.10 -1.31 -3.06 116.57 116.18 2kr1 h LYS 54 Ca 0.00 -0.41 -0.02 0.00 -2.00 0.00 0.00 60.65 58.22 2kr1 h LYS 54 Cb 0.44 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2kr1 h LYS 54 CO 0.00 1.04 -0.37 -0.84 -2.00 0.00 0.00 179.45 177.29 2kr1 h ILE 55 N 0.33 0.11 -5.28 0.07 3.07 -1.58 -3.49 117.51 110.74 2kr1 h ILE 55 Ca -0.04 -1.17 0.00 0.00 1.55 0.00 0.00 64.86 65.20 2kr1 h ILE 55 Cb 1.35 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.81 2kr1 h ILE 55 CO 0.14 0.06 -0.20 -3.20 -1.05 0.00 0.00 178.15 173.90 2kr1 n ASN 56 N -3.00 -7.74 -2.19 2.16 5.15 -0.75 -5.07 115.26 103.83 2kr1 n ASN 56 Ca 0.02 0.17 -0.03 0.00 -0.60 0.00 0.00 54.58 54.15 2kr1 n ASN 56 Cb 0.57 -5.25 0.02 0.00 -0.53 0.00 0.00 39.78 34.58 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 -1.17 -0.11 -2.05 5.20 0.00 -0.48 -5.02 120.51 116.89 2kr1 n ALA 57 Ca 0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2kr1 n ALA 57 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.14 4.25 -0.02 0.00 -0.14 -1.26 -5.02 119.74 114.42 2kr1 s LYS 58 Ca 0.07 2.21 0.08 0.00 -1.36 0.00 0.00 55.97 56.97 2kr1 s LYS 58 Cb -0.00 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 2kr1 s LYS 58 CO 0.05 -0.59 -0.25 -1.17 -0.76 0.00 0.00 175.35 172.63 2kr1 s LEU 59 N 1.73 2.06 -1.14 3.17 2.96 -1.26 -4.91 118.68 121.29 2kr1 s LEU 59 Ca 0.69 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2kr1 s LEU 59 Cb -0.39 -1.31 0.27 0.00 0.50 0.00 0.00 46.19 45.26 2kr1 s LEU 59 CO 0.30 0.31 1.63 0.00 -1.32 0.00 0.00 176.35 177.27 2kr1 s ASP 61 N -1.03 5.79 -0.39 0.00 -4.77 -1.26 -5.01 116.67 109.99 2kr1 s ASP 61 Ca 0.34 0.91 -0.28 0.00 -3.30 0.00 0.00 52.55 50.22 2kr1 s ASP 61 Cb 0.07 -1.95 -0.03 0.00 -1.09 0.00 0.00 42.92 39.92 2kr1 s ASP 61 CO 0.07 -0.98 1.99 -2.16 0.70 0.00 0.00 175.17 174.79 2kr1 s PRO 62 N -5.02 2.94 -0.36 2.11 0.04 -1.26 -4.97 135.00 128.48 2kr1 s PRO 62 Ca 0.53 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 2kr1 s PRO 62 Cb -0.11 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.09 2kr1 s PRO 62 CO 0.47 -2.33 0.28 -1.58 0.04 0.00 0.00 177.00 173.88 2kr1 s HIS 63 N 8.51 3.23 -2.00 0.56 2.46 -1.26 -5.31 115.29 121.49 2kr1 s HIS 63 Ca 0.84 -0.28 0.13 0.00 0.47 0.00 0.00 55.06 56.23 2kr1 s HIS 63 Cb -0.21 -2.54 0.79 0.00 -0.13 0.00 0.00 32.58 30.48 2kr1 s HIS 63 CO 0.30 -0.43 1.21 -2.30 -2.47 0.00 0.00 174.74 171.05