#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krb n SER 16 N 0.00 1.14 -4.12 -2.24 7.64 -1.26 -4.41 113.62 110.37 2krb n SER 16 Ca 0.00 -1.21 -0.08 0.00 1.01 0.00 0.00 58.87 58.59 2krb n SER 16 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2krb n SER 16 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2krb s VAL 17 N -0.21 0.19 0.09 0.44 -7.23 -1.26 -2.68 120.40 109.74 2krb s VAL 17 Ca 0.00 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 2krb s VAL 17 Cb 0.00 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2krb s VAL 17 CO 0.00 -0.74 -0.10 0.27 -0.31 0.00 0.00 175.10 174.22 2krb s ILE 18 N -3.97 0.92 0.11 -0.62 -4.36 0.25 -4.87 121.20 108.66 2krb s ILE 18 Ca 0.15 -1.63 -0.06 0.00 -0.26 0.00 0.00 60.65 58.86 2krb s ILE 18 Cb 0.08 -1.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.42 2krb s ILE 18 CO -0.04 -0.56 0.15 0.68 0.24 0.00 0.00 174.94 175.40 2krb s VAL 19 N -2.44 0.13 -0.04 8.37 -7.23 0.00 -0.90 120.40 118.30 2krb s VAL 19 Ca 0.05 -1.49 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2krb s VAL 19 Cb -0.03 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.30 2krb s VAL 19 CO -0.00 -0.59 0.01 -0.69 -0.31 0.00 0.00 175.10 173.52 2krb s VAL 20 N -3.94 0.16 0.37 1.32 1.01 -1.02 -0.69 120.40 117.61 2krb s VAL 20 Ca 0.12 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2krb s VAL 20 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2krb s VAL 20 CO -0.06 0.16 0.55 -0.62 0.00 0.00 0.00 175.10 175.13 2krb s ASP 21 N 1.28 6.03 -1.16 3.32 -1.08 -0.80 -1.62 116.67 122.64 2krb s ASP 21 Ca -0.06 0.16 -0.05 0.00 -0.52 0.00 0.00 52.55 52.08 2krb s ASP 21 Cb -0.13 -1.60 0.01 0.00 -1.46 0.00 0.00 42.92 39.74 2krb s ASP 21 CO -0.02 -0.46 1.00 0.59 0.52 0.00 0.00 175.17 176.80 2krb n ASN 22 N -1.81 -4.46 -4.10 -0.34 3.02 -0.72 -1.50 115.26 105.35 2krb n ASN 22 Ca -0.02 -0.51 -0.36 0.00 -0.03 0.00 0.00 54.58 53.66 2krb n ASN 22 Cb 0.57 -4.59 -0.08 0.00 -0.61 0.00 0.00 39.78 35.08 2krb n ASN 22 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2krb s VAL 23 N -3.30 4.11 0.48 2.41 0.11 -0.64 -4.57 120.40 119.00 2krb s VAL 23 Ca 0.33 -3.52 -0.23 0.00 -2.93 0.00 0.00 61.98 55.62 2krb s VAL 23 Cb -0.14 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 2krb s VAL 23 CO 0.65 -1.01 1.24 -2.16 -3.33 0.00 0.00 175.10 170.49 2krb s PRO 24 N -0.85 3.61 0.83 1.54 0.04 -1.25 -3.38 135.00 135.55 2krb s PRO 24 Ca 0.23 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2krb s PRO 24 Cb -0.12 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.10 2krb s PRO 24 CO -0.09 -0.72 1.12 -1.14 0.04 0.00 0.00 177.00 176.21 2krb s GLN 25 N -2.69 1.68 0.24 4.56 0.74 -1.24 -4.92 119.66 118.03 2krb s GLN 25 Ca 0.65 1.38 0.04 0.00 0.05 0.00 0.00 55.36 57.47 2krb s GLN 25 Cb -0.33 -1.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 2krb s GLN 25 CO 0.40 -2.11 0.00 0.14 -0.55 0.00 0.00 175.29 173.18 2krb s VAL 26 N -2.73 1.04 0.41 1.34 -7.23 -1.26 -4.96 120.40 107.00 2krb s VAL 26 Ca 0.64 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2krb s VAL 26 Cb -0.20 -2.39 0.10 0.00 0.56 0.00 0.00 36.38 34.45 2krb s VAL 26 CO 0.56 -0.29 0.44 0.61 -0.31 0.00 0.00 175.10 176.11 2krb n GLY 27 N -0.44 -1.96 3.54 2.32 0.00 -1.26 -4.54 105.19 102.85 2krb n GLY 27 Ca -0.05 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2krb n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2krb s PRO 28 N -3.99 -0.52 0.00 1.61 0.04 -1.26 -1.94 135.00 128.94 2krb s PRO 28 Ca 0.27 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2krb s PRO 28 Cb -0.02 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2krb s PRO 28 CO 0.20 -3.47 0.00 -3.47 0.04 0.00 0.00 177.00 170.29 2krb n ASP 29 N -4.75 -1.34 0.00 6.66 2.03 -1.26 -4.52 116.55 113.37 2krb n ASP 29 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2krb n ASP 29 Cb 0.54 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.96 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2krb n ARG 30 N -1.52 0.50 -0.18 -0.67 3.00 -1.23 -4.90 116.66 111.66 2krb n ARG 30 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.85 58.07 2krb n ARG 30 Cb 0.09 -0.35 0.60 0.00 0.00 0.00 0.00 32.46 32.80 2krb n ARG 30 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2krb h LEU 31 N 0.00 0.22 0.02 6.15 -0.00 -1.62 -1.98 115.31 118.10 2krb h LEU 31 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2krb h LEU 31 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.09 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.20 2krb h GLU 32 N 0.23 -0.02 -0.96 0.17 4.39 -1.90 -3.11 114.58 113.36 2krb h GLU 32 Ca 0.42 0.00 0.24 0.00 0.34 0.00 0.00 59.36 60.36 2krb h GLU 32 Cb 1.28 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.81 2krb h GLU 32 CO -0.10 0.45 0.51 0.87 -1.16 0.00 0.00 179.01 179.58 2krb h LYS 33 N -0.50 0.47 -0.69 2.33 6.56 -1.72 0.62 116.57 123.64 2krb h LYS 33 Ca -0.00 -0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.71 2krb h LYS 33 Cb 0.48 -0.10 -0.12 0.00 -0.57 0.00 0.00 32.23 31.92 2krb h LYS 33 CO 0.00 0.31 0.00 1.25 -2.06 0.00 0.00 179.45 178.96 2krb h LEU 34 N 0.48 -0.31 0.02 2.94 5.85 -1.40 0.34 115.31 123.22 2krb h LEU 34 Ca 0.62 0.18 -0.31 0.00 0.84 0.00 0.00 57.88 59.21 2krb h LEU 34 Cb 1.21 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 2krb h LEU 34 CO -0.51 -0.15 -1.83 1.17 -0.34 0.00 0.00 178.44 176.78 2krb n LYS 35 N -5.31 0.65 0.40 1.25 0.00 -0.89 -4.00 118.16 110.26 2krb n LYS 35 Ca 0.11 0.26 -0.19 0.00 0.00 0.00 0.00 58.31 58.49 2krb n LYS 35 Cb 0.42 -1.75 -0.10 0.00 0.00 0.00 0.00 35.03 33.60 2krb n LYS 35 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2krb h ASN 36 N 0.01 -1.17 -0.87 3.14 -0.26 -0.24 -2.77 115.58 113.43 2krb h ASN 36 Ca -0.33 0.07 0.16 0.00 -0.56 0.00 0.00 56.30 55.64 2krb h ASN 36 Cb 2.04 0.34 -0.07 0.00 -1.06 0.00 0.00 38.32 39.58 2krb h ASN 36 CO 0.07 -0.71 0.57 -0.37 -1.06 0.00 0.00 177.43 175.93 2krb h VAL 37 N -1.12 0.77 -0.68 2.81 -1.51 -0.57 0.18 116.25 116.14 2krb h VAL 37 Ca -0.10 -0.19 0.11 0.00 -1.23 0.00 0.00 66.70 65.30 2krb h VAL 37 Cb 0.91 0.18 -0.08 0.00 -2.13 0.00 0.00 31.29 30.17 2krb h VAL 37 CO 0.09 0.10 0.27 0.40 -1.23 0.00 0.00 177.57 177.20 2krb h ILE 38 N 0.54 0.74 -0.36 7.19 5.03 -1.63 0.25 117.51 129.27 2krb h ILE 38 Ca 0.44 -0.15 -0.09 0.00 -0.12 0.00 0.00 64.86 64.93 2krb h ILE 38 Cb 0.89 0.25 -0.02 0.00 -3.03 0.00 0.00 36.82 34.92 2krb h ILE 38 CO -0.18 0.08 -0.17 0.45 -0.68 0.00 0.00 178.15 177.65 2krb h HIS 39 N 0.45 0.72 0.00 1.37 3.86 -0.39 -2.79 115.15 118.39 2krb h HIS 39 Ca 0.35 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2krb h HIS 39 Cb 0.46 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2krb h HIS 39 CO -0.16 0.78 -0.00 0.87 0.86 0.00 0.00 177.93 180.28 2krb h LYS 40 N 0.59 -0.01 -1.00 2.45 6.56 -1.09 -2.83 116.57 121.24 2krb h LYS 40 Ca 0.09 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.79 2krb h LYS 40 Cb 0.62 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.20 2krb h LYS 40 CO 0.04 0.79 0.64 0.97 -2.06 0.00 0.00 179.45 179.83 2krb h ILE 41 N -0.82 0.97 -0.00 1.86 -0.00 -0.61 -1.10 117.51 117.81 2krb h ILE 41 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 2krb h ILE 41 Cb 0.80 -0.17 0.00 0.00 -0.00 0.00 0.00 36.82 37.44 2krb h ILE 41 CO 0.00 0.19 -0.25 0.49 -0.00 0.00 0.00 178.15 178.58 2krb n PHE 42 N -4.58 0.00 0.22 2.19 3.72 -1.05 -4.10 117.46 113.85 2krb n PHE 42 Ca 0.18 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.66 2krb n PHE 42 Cb 0.30 -0.18 0.50 0.00 -0.94 0.00 0.00 39.48 39.17 2krb n PHE 42 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2krb h SER 43 N 0.78 0.00 0.82 4.37 0.87 -0.92 -2.50 113.55 116.97 2krb h SER 43 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2krb h SER 43 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2krb h SER 43 CO 0.00 0.26 0.00 0.07 -0.53 0.00 0.00 176.83 176.63 2krb h LYS 44 N 0.00 0.00 0.00 2.24 2.10 -1.71 -3.07 116.57 116.13 2krb h LYS 44 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krb h LYS 44 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2krb h LYS 44 CO 0.03 0.00 -1.26 1.19 -2.00 0.00 0.00 179.45 177.42 2krb n PHE 45 N -2.98 0.00 0.00 0.07 3.72 -0.95 -5.09 117.46 112.23 2krb n PHE 45 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2krb n PHE 45 Cb 0.26 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2krb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krb n GLY 46 N 1.44 -0.12 2.94 1.37 0.00 -1.16 -4.84 105.19 104.82 2krb n GLY 46 Ca 0.02 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2krb n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krb s LYS 47 N -2.00 1.40 0.32 1.61 2.47 -1.26 -4.18 119.74 118.10 2krb s LYS 47 Ca 0.00 -0.26 -0.28 0.00 -1.56 0.00 0.00 55.97 53.87 2krb s LYS 47 Cb 0.00 -1.33 -0.09 0.00 -1.46 0.00 0.00 37.83 34.94 2krb s LYS 47 CO 0.00 -0.12 1.13 0.42 0.16 0.00 0.00 175.35 176.94 2krb s ILE 48 N 1.17 3.37 -0.05 5.43 1.09 -1.26 -4.49 121.20 126.46 2krb s ILE 48 Ca -0.06 1.30 0.05 0.00 -1.10 0.00 0.00 60.65 60.84 2krb s ILE 48 Cb -0.14 -3.79 -0.07 0.00 -1.06 0.00 0.00 42.46 37.39 2krb s ILE 48 CO -0.02 0.25 0.03 1.07 -0.10 0.00 0.00 174.94 176.17 2krb n THR 49 N 0.81 0.34 -4.37 2.92 5.66 -1.19 -5.01 114.28 113.44 2krb n THR 49 Ca 0.01 -0.23 -0.20 0.00 -3.05 0.00 0.00 64.05 60.58 2krb n THR 49 Cb 0.45 -0.73 -0.15 0.00 -1.55 0.00 0.00 70.33 68.35 2krb n THR 49 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2krb s ASN 50 N -3.58 1.16 -0.19 1.09 0.01 -0.65 -5.02 114.94 107.76 2krb s ASN 50 Ca -0.03 -0.18 -0.08 0.00 -0.71 0.00 0.00 52.86 51.87 2krb s ASN 50 Cb 0.02 -0.30 0.08 0.00 0.41 0.00 0.00 41.25 41.46 2krb s ASN 50 CO 0.23 0.06 0.42 1.51 -1.51 0.00 0.00 177.10 177.81 2krb s ASP 51 N 0.18 -0.31 -0.01 -1.22 1.47 -1.26 -0.78 116.67 114.74 2krb s ASP 51 Ca -0.03 0.97 0.00 0.00 1.18 0.00 0.00 52.55 54.67 2krb s ASP 51 Cb -0.08 1.21 0.01 0.00 -0.34 0.00 0.00 42.92 43.72 2krb s ASP 51 CO 0.00 -0.22 0.01 -0.36 0.68 0.00 0.00 175.17 175.28 2krb s PHE 52 N 2.32 0.04 -0.68 2.11 0.08 0.54 -5.01 117.98 117.37 2krb s PHE 52 Ca -0.04 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.11 2krb s PHE 52 Cb -0.11 -0.11 0.20 0.00 -0.57 0.00 0.00 43.02 42.43 2krb s PHE 52 CO -0.13 -0.04 0.60 0.66 -0.10 0.00 0.00 175.22 176.22 2krb n TYR 53 N 3.50 3.44 -2.18 0.36 4.02 -1.26 -1.12 117.16 123.91 2krb n TYR 53 Ca -0.18 -4.25 -0.40 0.00 -0.01 0.00 0.00 57.90 53.06 2krb n TYR 53 Cb 0.56 -0.60 -0.02 0.00 -0.02 0.00 0.00 39.34 39.26 2krb n TYR 53 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2krb s PRO 54 N -1.89 4.23 0.39 -0.72 0.04 -1.26 -5.02 135.00 130.77 2krb s PRO 54 Ca 0.31 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.50 2krb s PRO 54 Cb 0.04 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 2krb s PRO 54 CO -0.11 -0.25 0.06 -1.21 0.04 0.00 0.00 177.00 175.54 2krb s GLU 55 N -1.97 2.06 -0.24 4.56 2.02 -1.26 -4.53 118.70 119.33 2krb s GLU 55 Ca 0.52 -1.94 -0.03 0.00 0.02 0.00 0.00 54.97 53.54 2krb s GLU 55 Cb -0.37 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2krb s GLU 55 CO 0.48 -0.02 -0.04 -1.83 0.02 0.00 0.00 175.26 173.86 2krb s GLU 56 N -3.77 3.08 -1.17 1.61 -1.05 -1.25 -4.66 118.70 111.49 2krb s GLU 56 Ca 0.37 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2krb s GLU 56 Cb 0.06 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 2krb s GLU 56 CO 0.20 -0.32 0.00 -0.25 0.95 0.00 0.00 175.26 175.83 2krb n ASP 57 N 4.74 -3.45 -0.01 0.83 8.00 -1.26 -0.50 116.55 124.90 2krb n ASP 57 Ca -0.17 0.26 -0.00 0.00 0.71 0.00 0.00 54.79 55.59 2krb n ASP 57 Cb 0.49 -3.12 -0.00 0.00 -0.02 0.00 0.00 41.12 38.47 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krb n GLY 58 N -0.47 0.42 3.12 0.44 0.00 -1.26 -5.05 105.19 102.38 2krb n GLY 58 Ca -0.13 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 2krb n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2krb n LYS 59 N -2.99 0.86 -1.55 1.61 5.02 0.34 -5.06 118.16 116.40 2krb n LYS 59 Ca -0.00 -2.92 -0.54 0.00 -2.02 0.00 0.00 58.31 52.83 2krb n LYS 59 Cb 0.01 0.46 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 2krb n LYS 59 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2krb n THR 60 N -1.42 0.25 -0.52 -0.18 -2.24 -1.26 -3.76 114.28 105.15 2krb n THR 60 Ca -0.06 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 2krb n THR 60 Cb 0.52 -1.42 0.23 0.00 -2.10 0.00 0.00 70.33 67.57 2krb n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2krb n LYS 61 N 7.00 -2.40 0.00 -0.78 2.85 -1.26 -4.57 118.16 119.00 2krb n LYS 61 Ca 0.35 -0.68 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 2krb n LYS 61 Cb 0.18 -1.96 0.00 0.00 -0.65 0.00 0.00 35.03 32.59 2krb n LYS 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2krb n GLY 62 N 1.49 0.92 3.18 2.58 0.00 -1.22 -3.65 105.19 108.50 2krb n GLY 62 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2krb n GLY 62 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2krb s TYR 63 N -0.28 0.44 0.25 1.61 1.13 -1.26 -1.61 117.35 117.62 2krb s TYR 63 Ca 0.00 -0.89 0.09 0.00 -1.41 0.00 0.00 57.07 54.85 2krb s TYR 63 Cb 0.00 -0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 2krb s TYR 63 CO 0.00 -0.51 -0.14 0.96 -2.51 0.00 0.00 175.55 173.35 2krb s ILE 64 N -3.93 1.93 -0.09 -3.49 -5.25 -0.64 -4.28 121.20 105.45 2krb s ILE 64 Ca 0.11 -2.24 -0.01 0.00 -0.99 0.00 0.00 60.65 57.51 2krb s ILE 64 Cb 0.06 -2.22 0.03 0.00 2.95 0.00 0.00 42.46 43.28 2krb s ILE 64 CO -0.07 -0.47 -0.01 0.12 -1.79 0.00 0.00 174.94 172.72 2krb s PHE 65 N -2.85 0.90 0.07 1.37 5.36 -0.28 -2.44 117.98 120.12 2krb s PHE 65 Ca 0.26 -0.37 0.08 0.00 -0.96 0.00 0.00 56.93 55.94 2krb s PHE 65 Cb -0.01 -0.93 -0.03 0.00 -0.34 0.00 0.00 43.02 41.72 2krb s PHE 65 CO 0.10 -0.40 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.73 2krb s LEU 66 N 1.90 2.23 -0.03 6.12 1.02 -0.08 -0.34 118.68 129.50 2krb s LEU 66 Ca 0.04 -0.61 0.03 0.00 0.02 0.00 0.00 54.13 53.61 2krb s LEU 66 Cb -0.13 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.07 2krb s LEU 66 CO -0.06 0.14 -0.10 -0.70 0.02 0.00 0.00 176.35 175.65 2krb s GLU 67 N -1.53 1.05 0.38 1.70 2.12 0.04 -0.58 118.70 121.88 2krb s GLU 67 Ca 0.08 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2krb s GLU 67 Cb -0.09 -0.97 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 2krb s GLU 67 CO 0.03 0.13 0.56 0.71 -0.54 0.00 0.00 175.26 176.15 2krb s TYR 68 N 0.16 3.24 -1.11 5.30 2.02 -1.09 -1.64 117.35 124.23 2krb s TYR 68 Ca -0.03 0.07 0.22 0.00 -0.37 0.00 0.00 57.07 56.96 2krb s TYR 68 Cb -0.09 -2.08 1.00 0.00 -0.40 0.00 0.00 41.96 40.39 2krb s TYR 68 CO 0.01 -0.11 1.72 0.00 -1.57 0.00 0.00 175.55 175.60 2krb n ALA 69 N -1.83 2.06 -3.28 3.71 0.00 -1.26 -4.85 120.51 115.06 2krb n ALA 69 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2krb n ALA 69 Cb 0.58 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 2krb n ALA 69 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2krb s SER 70 N -2.89 -0.35 0.12 0.00 0.01 -1.26 -5.08 113.70 104.25 2krb s SER 70 Ca 0.14 0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.43 2krb s SER 70 Cb 0.15 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 2krb s SER 70 CO 0.39 -0.58 1.65 1.55 0.41 0.00 0.00 173.24 176.66 2krb h PRO 71 N 3.28 0.54 -0.10 12.44 0.13 -1.85 -2.62 132.00 143.83 2krb h PRO 71 Ca -0.30 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2krb h PRO 71 Cb 1.18 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2krb h PRO 71 CO 0.41 0.55 0.33 0.00 -0.23 0.00 0.00 178.00 179.06 2krb h ALA 72 N 0.97 1.51 0.02 -0.56 0.00 -1.97 0.30 119.26 119.53 2krb h ALA 72 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2krb h ALA 72 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2krb h ALA 72 CO -0.01 -0.38 -0.67 0.45 0.00 0.00 0.00 179.25 178.64 2krb h HIS 73 N 0.00 0.07 0.53 0.00 3.86 -1.79 -3.25 115.15 114.57 2krb h HIS 73 Ca 0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2krb h HIS 73 Cb 0.70 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.18 2krb h HIS 73 CO 0.00 1.26 -0.25 0.00 0.86 0.00 0.00 177.93 179.80 2krb h ALA 74 N -0.19 -0.71 -0.14 2.45 0.00 -1.25 0.29 119.26 119.73 2krb h ALA 74 Ca -0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2krb h ALA 74 Cb 1.23 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2krb h ALA 74 CO -0.07 -0.89 0.05 -0.39 0.00 0.00 0.00 179.25 177.95 2krb h VAL 75 N -0.72 1.06 0.11 0.00 -1.51 -1.18 -1.51 116.25 112.50 2krb h VAL 75 Ca -0.07 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 2krb h VAL 75 Cb 0.55 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2krb h VAL 75 CO 0.12 0.07 -0.05 -0.78 -1.23 0.00 0.00 177.57 175.70 2krb h ASP 76 N 0.19 -0.12 -0.81 4.19 3.58 -1.57 -3.29 116.42 118.58 2krb h ASP 76 Ca 0.05 -0.36 0.13 0.00 0.42 0.00 0.00 57.03 57.26 2krb h ASP 76 Cb 0.05 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.04 2krb h ASP 76 CO -0.01 0.49 0.42 0.00 -2.88 0.00 0.00 179.24 177.27 2krb h ALA 77 N -0.50 1.19 -0.33 -0.78 0.00 -0.54 -1.23 119.26 117.07 2krb h ALA 77 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2krb h ALA 77 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2krb h ALA 77 CO 0.02 -0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.55 2krb h VAL 78 N 0.65 0.81 0.00 0.00 2.07 -1.45 0.74 116.25 119.07 2krb h VAL 78 Ca 0.43 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.90 2krb h VAL 78 Cb 0.54 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2krb h VAL 78 CO -0.32 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.58 2krb n LYS 79 N -5.12 0.82 -0.02 1.57 5.02 -0.52 -3.08 118.16 116.84 2krb n LYS 79 Ca 0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.27 2krb n LYS 79 Cb 0.15 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2krb n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2krb n ASN 80 N -0.86 1.68 -1.58 4.39 3.02 -0.83 -4.76 115.26 116.31 2krb n ASN 80 Ca 0.14 0.02 -0.02 0.00 -0.03 0.00 0.00 54.58 54.69 2krb n ASN 80 Cb 0.07 -0.08 0.23 0.00 -0.61 0.00 0.00 39.78 39.39 2krb n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krb n ALA 81 N -2.93 3.82 -1.29 5.41 0.00 0.19 -4.93 120.51 120.79 2krb n ALA 81 Ca -0.06 -1.53 -0.07 0.00 0.00 0.00 0.00 53.44 51.78 2krb n ALA 81 Cb 0.55 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 2krb n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2krb n ASP 82 N 0.11 -0.44 -0.91 0.00 8.00 -1.18 -4.00 116.55 118.15 2krb n ASP 82 Ca 0.26 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.94 2krb n ASP 82 Cb 1.03 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2krb n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krb n GLY 83 N 5.33 -2.04 3.73 0.44 0.00 -1.26 -4.86 105.19 106.54 2krb n GLY 83 Ca 0.22 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2krb n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krb s TYR 84 N 0.00 2.33 -0.48 1.61 2.02 -1.26 -4.86 117.35 116.71 2krb s TYR 84 Ca 0.00 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.27 2krb s TYR 84 Cb 0.00 -3.12 0.42 0.00 -0.40 0.00 0.00 41.96 38.85 2krb s TYR 84 CO 0.00 -2.15 1.25 0.36 -1.57 0.00 0.00 175.55 173.44 2krb n LYS 85 N -3.76 3.36 -0.33 -0.62 0.00 -1.26 -4.24 118.16 111.31 2krb n LYS 85 Ca 0.09 -4.33 -0.09 0.00 -0.00 0.00 0.00 58.31 53.98 2krb n LYS 85 Cb 0.53 -2.26 -0.08 0.00 -0.00 0.00 0.00 35.03 33.23 2krb n LYS 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2krb n LEU 86 N -0.52 -0.83 0.00 -5.58 7.94 -1.26 -4.88 117.00 111.88 2krb n LEU 86 Ca 0.42 1.53 0.00 0.00 -1.11 0.00 0.00 56.01 56.85 2krb n LEU 86 Cb 0.64 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2krb n LEU 86 CO 0.37 -1.20 0.00 -0.67 -1.11 0.00 0.00 177.39 174.78 2krb n ASP 87 N -4.81 0.00 -4.74 1.96 2.03 -1.26 -5.17 116.55 104.56 2krb n ASP 87 Ca 0.02 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 2krb n ASP 87 Cb 0.20 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.73 2krb n ASP 87 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2krb s LYS 88 N 0.00 1.37 0.19 -0.67 2.36 -1.26 -4.98 119.74 116.75 2krb s LYS 88 Ca 0.00 0.67 -0.11 0.00 -2.55 0.00 0.00 55.97 53.98 2krb s LYS 88 Cb 0.00 -1.83 0.11 0.00 -1.05 0.00 0.00 37.83 35.06 2krb s LYS 88 CO 0.00 -2.12 1.80 1.96 1.55 0.00 0.00 175.35 178.54 2krb h GLN 89 N -1.46 0.93 -5.80 4.03 7.50 -2.02 -3.41 115.11 114.88 2krb h GLN 89 Ca -0.50 -0.11 -0.50 0.00 0.50 0.00 0.00 58.65 58.05 2krb h GLN 89 Cb 1.29 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.63 2krb h GLN 89 CO 0.57 0.70 1.52 -1.01 -1.50 0.00 0.00 178.83 179.12 2krb s HIS 90 N -5.84 1.27 0.31 2.96 3.76 -1.26 -4.98 115.29 111.52 2krb s HIS 90 Ca -0.13 1.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.90 2krb s HIS 90 Cb 0.14 -3.79 -0.06 0.00 1.11 0.00 0.00 32.58 29.99 2krb s HIS 90 CO 0.79 -2.72 0.60 0.99 -0.85 0.00 0.00 174.74 173.54 2krb s THR 91 N 10.57 4.97 0.67 1.30 2.01 -1.26 -4.96 115.64 128.93 2krb s THR 91 Ca 0.90 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 63.04 2krb s THR 91 Cb -0.19 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.65 2krb s THR 91 CO 0.27 -0.35 0.97 -0.36 -0.69 0.00 0.00 174.62 174.45 2krb s PHE 92 N -2.13 2.97 -0.40 4.92 0.40 -1.26 -4.79 117.98 117.68 2krb s PHE 92 Ca 0.46 0.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.23 2krb s PHE 92 Cb -0.11 -3.07 0.14 0.00 0.51 0.00 0.00 43.02 40.50 2krb s PHE 92 CO 0.30 -1.25 0.25 1.03 0.70 0.00 0.00 175.22 176.25 2krb s ARG 93 N -5.15 0.92 -0.27 0.44 1.81 -0.57 -4.06 118.95 112.08 2krb s ARG 93 Ca 0.59 -1.75 -0.29 0.00 -1.72 0.00 0.00 55.73 52.56 2krb s ARG 93 Cb -0.11 -1.75 -0.00 0.00 -0.45 0.00 0.00 34.95 32.65 2krb s ARG 93 CO 0.44 -1.22 1.29 0.08 -0.68 0.00 0.00 175.30 175.21 2krb s VAL 94 N 0.59 4.18 0.00 3.52 1.01 -1.26 -1.90 120.40 126.54 2krb s VAL 94 Ca 0.20 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2krb s VAL 94 Cb -0.19 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2krb s VAL 94 CO -0.03 -0.39 0.00 0.59 0.00 0.00 0.00 175.10 175.27