#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 3.30 -3.99 3.17 5.02 -1.26 -3.85 118.16 120.55 2kr1 n LYS 2 Ca 0.00 -3.38 -0.09 0.00 -2.02 0.00 0.00 58.31 52.82 2kr1 n LYS 2 Cb 0.00 -3.16 -0.08 0.00 -0.02 0.00 0.00 35.03 31.77 2kr1 n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kr1 s ARG 3 N 2.13 0.94 0.04 1.97 1.81 -1.26 -5.05 118.95 119.52 2kr1 s ARG 3 Ca 0.45 -1.18 -0.32 0.00 -1.72 0.00 0.00 55.73 52.97 2kr1 s ARG 3 Cb 0.06 0.31 -0.17 0.00 -0.45 0.00 0.00 34.95 34.70 2kr1 s ARG 3 CO 0.00 -0.30 1.34 0.00 -0.68 0.00 0.00 175.30 175.67 2kr1 h ALA 4 N 2.76 -1.18 -0.92 2.13 0.00 -2.00 -1.48 119.26 118.57 2kr1 h ALA 4 Ca -0.33 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2kr1 h ALA 4 Cb 1.20 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2kr1 h ALA 4 CO 0.55 -1.09 0.61 0.00 0.00 0.00 0.00 179.25 179.32 2kr1 h ALA 5 N -1.35 1.34 -0.46 0.00 0.00 -1.99 -2.73 119.26 114.08 2kr1 h ALA 5 Ca -0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kr1 h ALA 5 Cb 0.87 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2kr1 h ALA 5 CO 0.19 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.30 2kr1 h ALA 6 N 1.43 0.58 0.06 0.00 0.00 -1.84 -1.01 119.26 118.48 2kr1 h ALA 6 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2kr1 h ALA 6 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2kr1 h ALA 6 CO -0.07 -0.08 -0.03 -0.22 0.00 0.00 0.00 179.25 178.85 2kr1 h LYS 7 N 0.50 -0.08 -0.95 0.00 1.63 -0.98 -2.45 116.57 114.25 2kr1 h LYS 7 Ca 0.19 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2kr1 h LYS 7 Cb 0.06 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 2kr1 h LYS 7 CO -0.11 0.03 0.62 0.45 -3.45 0.00 0.00 179.45 176.98 2kr1 h HIS 8 N -0.16 1.11 -0.27 1.91 3.86 -1.31 -2.02 115.15 118.28 2kr1 h HIS 8 Ca -0.01 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2kr1 h HIS 8 Cb 0.14 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2kr1 h HIS 8 CO -0.05 0.57 -0.06 -0.07 0.86 0.00 0.00 177.93 179.18 2kr1 h LEU 9 N 1.09 0.40 -0.32 2.43 -0.00 -0.89 0.63 115.31 118.64 2kr1 h LEU 9 Ca 0.41 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 58.18 2kr1 h LEU 9 Cb 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 2kr1 h LEU 9 CO -0.16 0.51 0.07 0.40 -0.00 0.00 0.00 178.44 179.26 2kr1 h ILE 10 N 0.40 1.23 0.00 1.22 2.04 -0.91 -2.16 117.51 119.33 2kr1 h ILE 10 Ca 0.08 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2kr1 h ILE 10 Cb 0.37 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2kr1 h ILE 10 CO 0.02 0.26 -0.21 -0.33 0.00 0.00 0.00 178.15 177.89 2kr1 h GLU 11 N 0.37 0.00 0.33 2.37 3.07 -1.20 -1.78 114.58 117.73 2kr1 h GLU 11 Ca 0.10 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2kr1 h GLU 11 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2kr1 h GLU 11 CO 0.00 0.21 -0.16 0.00 -1.40 0.00 0.00 179.01 177.66 2kr1 h ARG 12 N 0.00 -0.43 -0.27 2.33 2.47 -0.56 -1.49 114.38 116.44 2kr1 h ARG 12 Ca -0.00 0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2kr1 h ARG 12 Cb 0.43 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2kr1 h ARG 12 CO 0.03 -0.10 -0.21 1.88 0.56 0.00 0.00 179.97 182.13 2kr1 h TYR 13 N -0.84 0.55 0.25 3.04 0.05 -1.40 -1.03 116.97 117.59 2kr1 h TYR 13 Ca -0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 2kr1 h TYR 13 Cb 0.52 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2kr1 h TYR 13 CO 0.03 0.67 -0.12 -0.92 -1.05 0.00 0.00 178.16 176.77 2kr1 h TYR 14 N 0.44 -0.31 0.00 4.88 3.20 -1.38 -2.04 116.97 121.76 2kr1 h TYR 14 Ca 0.07 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2kr1 h TYR 14 Cb 0.61 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2kr1 h TYR 14 CO 0.02 -0.11 -0.14 1.25 -1.64 0.00 0.00 178.16 177.54 2kr1 h HIS 15 N -0.44 0.00 -0.34 -3.82 2.76 -1.16 -1.09 115.15 111.05 2kr1 h HIS 15 Ca -0.03 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 2kr1 h HIS 15 Cb 0.34 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 2kr1 h HIS 15 CO -0.03 0.14 -0.40 0.37 -1.30 0.00 0.00 177.93 176.71 2kr1 h GLN 16 N 0.00 0.88 0.22 5.26 4.15 -1.03 -0.22 115.11 124.37 2kr1 h GLN 16 Ca -0.00 -0.49 -0.32 0.00 0.77 0.00 0.00 58.65 58.61 2kr1 h GLN 16 Cb 0.44 0.03 0.03 0.00 0.21 0.00 0.00 27.48 28.19 2kr1 h GLN 16 CO 0.02 1.13 -1.42 -0.07 -1.93 0.00 0.00 178.83 176.56 2kr1 h LEU 17 N 0.68 0.78 0.00 -2.39 3.38 -0.64 0.84 115.31 117.95 2kr1 h LEU 17 Ca 0.05 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 2kr1 h LEU 17 Cb 1.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kr1 h LEU 17 CO 0.10 1.64 -0.10 0.71 0.09 0.00 0.00 178.44 180.88 2kr1 h THR 18 N 0.15 0.09 0.07 0.22 1.35 -1.35 -3.35 112.91 110.09 2kr1 h THR 18 Ca -0.23 -1.07 -0.35 0.00 -0.55 0.00 0.00 66.41 64.21 2kr1 h THR 18 Cb 2.12 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 2kr1 h THR 18 CO 0.26 0.03 -1.96 -0.62 -0.25 0.00 0.00 175.52 172.98 2kr1 n GLU 19 N -4.74 0.69 0.00 4.72 -0.58 -0.86 -4.88 120.64 114.98 2kr1 n GLU 19 Ca -0.02 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2kr1 n GLU 19 Cb 0.07 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 1.88 -0.81 0.00 0.62 0.00 -0.15 -4.50 105.19 102.23 2kr1 n GLY 20 Ca -0.36 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.14 1.75 3.50 0.00 0.00 -1.26 -4.96 105.19 104.08 2kr1 n GLY 22 Ca 0.00 -0.13 -0.50 0.00 0.00 0.00 0.00 46.02 45.39 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 2.82 2.44 0.11 1.61 2.85 -1.26 -4.88 115.26 118.96 2kr1 n ASN 23 Ca 0.00 0.47 -0.03 0.00 -0.11 0.00 0.00 54.58 54.91 2kr1 n ASN 23 Cb 0.00 -1.31 0.11 0.00 1.24 0.00 0.00 39.78 39.82 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2kr1 h GLU 24 N 12.18 0.05 -1.80 1.20 4.11 -1.94 -3.26 114.58 125.13 2kr1 h GLU 24 Ca -0.32 -0.04 -0.33 0.00 0.07 0.00 0.00 59.36 58.74 2kr1 h GLU 24 Cb 1.30 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.44 2kr1 h GLU 24 CO 1.00 0.72 0.25 0.00 0.07 0.00 0.00 179.01 181.05 2kr1 n ALA 25 N -2.42 5.62 -2.71 1.06 0.00 -1.26 -4.62 120.51 116.17 2kr1 n ALA 25 Ca -0.01 -1.96 -0.40 0.00 0.00 0.00 0.00 53.44 51.06 2kr1 n ALA 25 Cb 0.67 -1.72 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 3.99 1.49 -3.92 0.00 5.66 -1.26 -4.78 114.28 115.46 2kr1 n THR 27 Ca 0.01 -0.67 -0.30 0.00 -3.05 0.00 0.00 64.05 60.04 2kr1 n THR 27 Cb 0.51 -0.58 -0.16 0.00 -1.55 0.00 0.00 70.33 68.55 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 -0.15 3.41 0.43 1.09 3.84 -1.26 -5.01 114.94 117.29 2kr1 s ASN 28 Ca 0.23 -0.95 0.22 0.00 0.21 0.00 0.00 52.86 52.57 2kr1 s ASN 28 Cb 0.18 -1.07 0.93 0.00 -0.55 0.00 0.00 41.25 40.74 2kr1 s ASN 28 CO 0.06 -0.21 1.84 1.05 -2.79 0.00 0.00 177.10 177.05 2kr1 h GLU 29 N 8.03 0.00 -1.80 0.43 4.11 -1.92 -3.21 114.58 120.21 2kr1 h GLU 29 Ca -0.21 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.80 2kr1 h GLU 29 Cb 1.09 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.19 2kr1 h GLU 29 CO 0.42 0.27 0.36 1.19 0.07 0.00 0.00 179.01 181.31 2kr1 n PHE 30 N -3.54 1.49 -3.67 2.06 3.72 -1.26 -4.12 117.46 112.14 2kr1 n PHE 30 Ca -0.01 -1.93 -0.10 0.00 -0.05 0.00 0.00 57.45 55.37 2kr1 n PHE 30 Cb 0.42 -1.22 -0.09 0.00 -0.94 0.00 0.00 39.48 37.64 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 1.31 1.50 0.00 0.00 0.00 0.27 -3.19 121.76 121.66 2kr1 s ALA 32 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2kr1 s ALA 32 Cb -0.06 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2kr1 s ALA 32 CO -0.13 -2.43 0.00 0.43 0.00 0.00 0.00 175.76 173.63 2kr1 n SER 33 N -3.96 -1.02 -4.54 0.00 7.64 -1.26 -3.60 113.62 106.88 2kr1 n SER 33 Ca 0.08 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.62 2kr1 n SER 33 Cb 0.54 -0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 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 6.62 0.11 0.00 0.00 0.13 -1.90 -2.43 132.00 134.53 2kr1 h PRO 35 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kr1 h PRO 35 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kr1 h PRO 35 CO 0.65 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 178.74 2kr1 n THR 36 N -4.52 0.06 -3.07 1.56 -2.24 -1.26 -4.77 114.28 100.05 2kr1 n THR 36 Ca -0.01 0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2kr1 n THR 36 Cb 0.13 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.34 3.39 -0.22 4.78 5.36 -0.92 -4.94 117.98 123.10 2kr1 s PHE 37 Ca 0.33 1.00 -0.25 0.00 -0.96 0.00 0.00 56.93 57.05 2kr1 s PHE 37 Cb 0.19 -2.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 2kr1 s PHE 37 CO 0.39 -0.19 0.86 -1.17 -1.46 0.00 0.00 175.22 173.65 2kr1 s LEU 38 N 1.95 4.11 0.04 6.12 2.96 -1.26 -4.96 118.68 127.64 2kr1 s LEU 38 Ca 0.31 1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 55.04 2kr1 s LEU 38 Cb -0.16 -3.25 -0.08 0.00 0.50 0.00 0.00 46.19 43.20 2kr1 s LEU 38 CO 0.11 -0.50 1.74 -0.60 -1.32 0.00 0.00 176.35 175.78 2kr1 s ARG 39 N 2.68 4.17 0.29 1.98 3.00 -1.26 -5.01 118.95 124.79 2kr1 s ARG 39 Ca 0.37 2.39 0.08 0.00 -1.00 0.00 0.00 55.73 57.57 2kr1 s ARG 39 Cb -0.16 -3.83 -0.04 0.00 0.00 0.00 0.00 34.95 30.93 2kr1 s ARG 39 CO 0.09 -0.83 0.10 0.00 0.00 0.00 0.00 175.30 174.66 2kr1 s MET 40 N 3.42 2.50 0.92 5.12 0.23 -1.26 -5.14 119.30 125.09 2kr1 s MET 40 Ca 0.78 -1.35 -0.12 0.00 -1.03 0.00 0.00 55.69 53.97 2kr1 s MET 40 Cb -0.39 -2.29 0.14 0.00 -1.53 0.00 0.00 34.83 30.76 2kr1 s MET 40 CO 0.34 0.29 1.09 -0.51 -2.03 0.00 0.00 175.02 174.20 2kr1 s ASP 41 N -3.78 3.21 0.33 -1.18 1.11 -1.26 -4.83 116.67 110.27 2kr1 s ASP 41 Ca 0.34 1.48 0.08 0.00 0.18 0.00 0.00 52.55 54.63 2kr1 s ASP 41 Cb -0.06 -2.15 0.57 0.00 1.07 0.00 0.00 42.92 42.35 2kr1 s ASP 41 CO 0.22 -2.80 1.77 0.78 1.18 0.00 0.00 175.17 176.32 2kr1 h ASN 42 N -1.66 0.21 -0.18 0.27 4.21 -1.99 0.10 115.58 116.54 2kr1 h ASN 42 Ca -0.50 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 56.93 2kr1 h ASN 42 Cb 1.29 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 2kr1 h ASN 42 CO 0.54 0.54 0.09 0.78 -1.29 0.00 0.00 177.43 178.09 2kr1 h ASN 43 N 0.18 0.22 0.25 5.81 2.35 -1.99 0.13 115.58 122.53 2kr1 h ASN 43 Ca 0.02 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 2kr1 h ASN 43 Cb 0.69 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2kr1 h ASN 43 CO 0.05 0.26 -0.38 0.00 -1.65 0.00 0.00 177.43 175.71 2kr1 h ALA 44 N 0.97 1.21 0.00 -0.83 0.00 -1.84 -2.40 119.26 116.37 2kr1 h ALA 44 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2kr1 h ALA 44 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kr1 h ALA 44 CO -0.01 0.54 -0.36 0.00 0.00 0.00 0.00 179.25 179.42 2kr1 h ALA 45 N 1.46 0.80 -0.06 0.00 0.00 -0.69 -1.34 119.26 119.42 2kr1 h ALA 45 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2kr1 h ALA 45 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kr1 h ALA 45 CO 0.06 0.45 -0.35 0.00 0.00 0.00 0.00 179.25 179.41 2kr1 h ALA 46 N 1.64 0.13 0.00 0.00 0.00 -0.63 -0.17 119.26 120.23 2kr1 h ALA 46 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kr1 h ALA 46 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kr1 h ALA 46 CO 0.05 0.21 -0.00 0.82 0.00 0.00 0.00 179.25 180.33 2kr1 h ILE 47 N -0.14 1.03 0.00 0.00 1.08 -1.45 -2.79 117.51 115.24 2kr1 h ILE 47 Ca -0.03 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2kr1 h ILE 47 Cb 1.01 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2kr1 h ILE 47 CO 0.07 0.03 -0.17 0.50 -0.69 0.00 0.00 178.15 177.89 2kr1 h LYS 48 N -0.05 0.00 -0.34 2.37 1.63 -1.31 -1.36 116.57 117.51 2kr1 h LYS 48 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2kr1 h LYS 48 Cb 0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2kr1 h LYS 48 CO 0.00 0.17 0.16 0.00 -3.45 0.00 0.00 179.45 176.33 2kr1 h ALA 49 N 1.83 0.44 -0.10 5.00 0.00 -0.77 -0.75 119.26 124.91 2kr1 h ALA 49 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2kr1 h ALA 49 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kr1 h ALA 49 CO 0.02 0.01 -0.44 -0.07 0.00 0.00 0.00 179.25 178.78 2kr1 h LEU 50 N 0.41 0.25 -0.00 0.00 -0.00 -1.10 -0.62 115.31 114.24 2kr1 h LEU 50 Ca 0.12 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2kr1 h LEU 50 Cb 0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2kr1 h LEU 50 CO -0.01 0.66 0.00 -0.33 -0.00 0.00 0.00 178.44 178.75 2kr1 h GLU 51 N 0.19 0.01 -0.00 1.13 4.39 -1.09 -1.13 114.58 118.07 2kr1 h GLU 51 Ca 0.01 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2kr1 h GLU 51 Cb 0.85 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2kr1 h GLU 51 CO 0.07 0.30 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.78 2kr1 h LEU 52 N -0.29 0.01 0.03 1.33 3.38 -1.12 -2.70 115.31 115.95 2kr1 h LEU 52 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kr1 h LEU 52 Cb 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kr1 h LEU 52 CO 0.00 0.38 -0.02 0.22 0.09 0.00 0.00 178.44 179.12 2kr1 h TYR 53 N 0.01 -0.04 -0.04 1.13 3.20 -1.05 -0.81 116.97 119.37 2kr1 h TYR 53 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2kr1 h TYR 53 Cb 0.67 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2kr1 h TYR 53 CO 0.00 0.41 -0.44 1.57 -1.64 0.00 0.00 178.16 178.06 2kr1 h LYS 54 N -0.50 0.08 0.00 1.82 2.10 -1.11 -2.13 116.57 116.83 2kr1 h LYS 54 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2kr1 h LYS 54 Cb 0.47 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2kr1 h LYS 54 CO 0.01 0.51 -0.43 -0.84 -2.00 0.00 0.00 179.45 176.70 2kr1 h ILE 55 N 0.07 0.00 -5.43 0.07 3.07 -1.59 -3.49 117.51 110.20 2kr1 h ILE 55 Ca 0.00 -0.58 -0.11 0.00 1.55 0.00 0.00 64.86 65.72 2kr1 h ILE 55 Cb 0.81 1.31 0.08 0.00 -0.27 0.00 0.00 36.82 38.75 2kr1 h ILE 55 CO 0.06 0.00 -0.35 0.59 -1.05 0.00 0.00 178.15 177.40 2kr1 n ASN 56 N -2.30 -7.29 -3.08 2.16 5.03 -0.80 -5.04 115.26 103.92 2kr1 n ASN 56 Ca 0.04 -0.34 -0.17 0.00 0.87 0.00 0.00 54.58 54.98 2kr1 n ASN 56 Cb 0.46 -5.20 0.12 0.00 -1.02 0.00 0.00 39.78 34.14 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 -2.37 -0.95 -2.06 5.41 0.00 -0.35 -5.02 120.51 115.17 2kr1 n ALA 57 Ca -0.03 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 2kr1 n ALA 57 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.64 4.27 0.06 0.00 1.02 -1.26 -5.03 119.74 114.15 2kr1 s LYS 58 Ca 0.43 2.20 0.09 0.00 0.02 0.00 0.00 55.97 58.71 2kr1 s LYS 58 Cb -0.01 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2kr1 s LYS 58 CO 0.30 -0.54 -0.25 -1.17 -0.92 0.00 0.00 175.35 172.77 2kr1 s LEU 59 N 1.37 2.19 -0.33 3.17 2.96 -1.26 -5.00 118.68 121.78 2kr1 s LEU 59 Ca 0.67 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2kr1 s LEU 59 Cb -0.39 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.11 2kr1 s LEU 59 CO 0.30 0.22 0.12 0.00 -1.32 0.00 0.00 176.35 175.68 2kr1 s ASP 61 N 1.47 1.66 -0.01 0.00 -4.77 -1.26 -4.94 116.67 108.82 2kr1 s ASP 61 Ca 0.01 -0.83 -0.30 0.00 -3.30 0.00 0.00 52.55 48.13 2kr1 s ASP 61 Cb -0.19 -0.02 -0.07 0.00 -1.09 0.00 0.00 42.92 41.56 2kr1 s ASP 61 CO 0.04 -0.23 1.69 -2.84 0.70 0.00 0.00 175.17 174.52 2kr1 s PRO 62 N -2.83 4.18 -0.70 2.11 0.02 -1.26 -4.99 135.00 131.53 2kr1 s PRO 62 Ca 0.08 2.27 -0.05 0.00 0.02 0.00 0.00 61.00 63.32 2kr1 s PRO 62 Cb -0.03 -3.92 0.18 0.00 0.02 0.00 0.00 34.50 30.75 2kr1 s PRO 62 CO 0.01 -0.83 0.55 -1.58 -0.33 0.00 0.00 177.00 174.82 2kr1 s HIS 63 N 3.75 3.52 -2.00 6.54 2.46 -1.26 -5.33 115.29 122.97 2kr1 s HIS 63 Ca 0.75 -2.61 0.23 0.00 0.47 0.00 0.00 55.06 53.90 2kr1 s HIS 63 Cb -0.36 -3.33 1.35 0.00 -0.13 0.00 0.00 32.58 30.11 2kr1 s HIS 63 CO 0.32 -0.86 1.72 -0.35 -2.47 0.00 0.00 174.74 173.10