#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 1.33 -4.32 -1.12 2.88 -1.26 -4.31 113.62 106.82 2krb n SER 16 Ca 0.00 -1.55 -0.17 0.00 -1.33 0.00 0.00 58.87 55.82 2krb n SER 16 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2krb n SER 16 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2krb s VAL 17 N -0.55 0.92 0.06 2.46 -7.23 -1.26 -1.68 120.40 113.12 2krb s VAL 17 Ca 0.00 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2krb s VAL 17 Cb 0.00 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2krb s VAL 17 CO 0.00 -0.30 -0.07 0.27 -0.31 0.00 0.00 175.10 174.69 2krb s ILE 18 N -3.49 0.56 0.04 -0.62 -4.36 0.35 -4.77 121.20 108.90 2krb s ILE 18 Ca 0.29 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 2krb s ILE 18 Cb 0.06 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.76 2krb s ILE 18 CO 0.09 -0.57 -0.06 -0.69 0.24 0.00 0.00 174.94 173.95 2krb s VAL 19 N -2.22 0.37 0.11 8.37 1.01 0.16 -1.60 120.40 126.61 2krb s VAL 19 Ca -0.02 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.88 2krb s VAL 19 Cb -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2krb s VAL 19 CO -0.02 -0.50 -0.12 0.68 0.00 0.00 0.00 175.10 175.14 2krb s VAL 20 N -1.74 1.14 0.32 2.92 -7.23 -1.20 -1.03 120.40 113.59 2krb s VAL 20 Ca -0.09 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 2krb s VAL 20 Cb -0.08 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 2krb s VAL 20 CO -0.01 -0.45 0.05 -0.62 -0.31 0.00 0.00 175.10 173.76 2krb s ASP 21 N -2.36 2.44 -1.72 4.85 -1.08 -1.12 -3.10 116.67 114.58 2krb s ASP 21 Ca 0.06 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.73 2krb s ASP 21 Cb -0.05 -0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.31 2krb s ASP 21 CO 0.02 -0.58 0.00 0.59 0.52 0.00 0.00 175.17 175.72 2krb n ASN 22 N -0.68 -5.72 -4.32 -0.34 3.02 -0.90 -3.50 115.26 102.80 2krb n ASN 22 Ca -0.03 0.01 -0.45 0.00 -0.03 0.00 0.00 54.58 54.08 2krb n ASN 22 Cb 0.66 -4.78 -0.01 0.00 -0.61 0.00 0.00 39.78 35.04 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 -3.00 5.73 0.78 2.41 0.11 -0.43 -4.86 120.40 121.15 2krb s VAL 23 Ca 0.00 -2.99 -0.10 0.00 -2.93 0.00 0.00 61.98 55.95 2krb s VAL 23 Cb 0.00 -4.49 0.06 0.00 -1.53 0.00 0.00 36.38 30.42 2krb s VAL 23 CO 0.00 -1.10 1.09 -2.16 -3.33 0.00 0.00 175.10 169.60 2krb s PRO 24 N -0.59 2.19 0.80 1.54 0.04 -1.25 -3.21 135.00 134.52 2krb s PRO 24 Ca 0.24 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 2krb s PRO 24 Cb -0.10 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2krb s PRO 24 CO -0.08 -1.69 1.14 -1.14 0.04 0.00 0.00 177.00 175.27 2krb s GLN 25 N -4.90 2.04 0.18 4.56 -0.44 -1.25 -4.92 119.66 114.94 2krb s GLN 25 Ca 0.61 0.29 -0.01 0.00 -2.50 0.00 0.00 55.36 53.75 2krb s GLN 25 Cb -0.17 -1.94 -0.04 0.00 -1.64 0.00 0.00 33.01 29.21 2krb s GLN 25 CO 0.56 -1.58 0.11 0.14 0.50 0.00 0.00 175.29 175.03 2krb s VAL 26 N -3.42 0.03 0.36 1.34 -7.23 -1.26 -5.00 120.40 105.22 2krb s VAL 26 Ca 0.61 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2krb s VAL 26 Cb -0.12 -2.34 0.09 0.00 0.56 0.00 0.00 36.38 34.57 2krb s VAL 26 CO 0.51 -0.16 0.43 0.61 -0.31 0.00 0.00 175.10 176.19 2krb n GLY 27 N -0.21 -1.66 3.44 2.32 0.00 -1.26 -4.62 105.19 103.20 2krb n GLY 27 Ca -0.01 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.95 -1.49 0.00 1.61 0.04 -1.26 -1.93 135.00 128.01 2krb s PRO 28 Ca 0.25 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2krb s PRO 28 Cb -0.01 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.02 2krb s PRO 28 CO 0.18 -4.05 0.00 -0.25 0.04 0.00 0.00 177.00 172.93 2krb n ASP 29 N -5.12 -3.54 0.00 6.66 8.00 -1.26 -4.43 116.55 116.86 2krb n ASP 29 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2krb n ASP 29 Cb 0.56 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2krb n ARG 30 N -0.40 1.06 -0.31 -1.24 0.63 -1.24 -4.93 116.66 110.23 2krb n ARG 30 Ca 0.00 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.15 2krb n ARG 30 Cb 0.28 -0.21 0.50 0.00 0.45 0.00 0.00 32.46 33.48 2krb n ARG 30 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 2krb h LEU 31 N 0.00 0.45 0.33 6.15 -0.00 -1.60 -1.70 115.31 118.94 2krb h LEU 31 Ca 0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2krb h LEU 31 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2krb h LEU 31 CO 0.00 0.11 -0.16 -0.33 -0.00 0.00 0.00 178.44 178.06 2krb h GLU 32 N 0.41 -0.43 -1.03 0.17 4.39 -1.91 -2.88 114.58 113.31 2krb h GLU 32 Ca 0.57 0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.57 2krb h GLU 32 Cb 1.42 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 30.04 2krb h GLU 32 CO -0.27 -0.15 0.62 -0.22 -1.16 0.00 0.00 179.01 177.83 2krb h LYS 33 N -0.68 0.47 -0.30 2.33 1.63 -1.70 0.14 116.57 118.46 2krb h LYS 33 Ca -0.05 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 2krb h LYS 33 Cb 0.48 -0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 31.92 2krb h LYS 33 CO 0.07 0.31 -0.36 1.25 -3.45 0.00 0.00 179.45 177.27 2krb h LEU 34 N 0.48 -1.18 0.00 5.20 7.12 -1.13 0.29 115.31 126.10 2krb h LEU 34 Ca 0.65 0.18 -0.18 0.00 0.13 0.00 0.00 57.88 58.66 2krb h LEU 34 Cb 1.41 0.52 -0.03 0.00 -0.53 0.00 0.00 40.66 42.03 2krb h LEU 34 CO -0.44 -0.36 -1.09 0.50 -0.13 0.00 0.00 178.44 176.92 2krb h LYS 35 N -0.34 0.00 0.30 1.25 3.11 -1.50 -3.37 116.57 116.02 2krb h LYS 35 Ca 0.13 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 2krb h LYS 35 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 2krb h LYS 35 CO -0.48 0.56 -0.14 -0.91 -2.81 0.00 0.00 179.45 175.66 2krb h ASN 36 N 0.00 -0.34 -0.82 4.20 2.35 -0.31 -3.21 115.58 117.45 2krb h ASN 36 Ca -0.10 -0.11 0.21 0.00 -0.55 0.00 0.00 56.30 55.75 2krb h ASN 36 Cb 1.64 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 40.05 2krb h ASN 36 CO 0.08 -0.09 0.57 -0.37 -1.65 0.00 0.00 177.43 175.97 2krb h VAL 37 N -0.60 0.65 -0.37 2.81 -1.51 -0.59 0.23 116.25 116.87 2krb h VAL 37 Ca -0.04 -0.06 0.08 0.00 -1.23 0.00 0.00 66.70 65.44 2krb h VAL 37 Cb 0.43 0.45 -0.08 0.00 -2.13 0.00 0.00 31.29 29.96 2krb h VAL 37 CO 0.07 0.03 -0.19 0.40 -1.23 0.00 0.00 177.57 176.65 2krb h ILE 38 N 0.19 0.43 -0.65 7.19 5.03 -1.72 0.19 117.51 128.17 2krb h ILE 38 Ca 0.41 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 65.08 2krb h ILE 38 Cb 1.31 0.43 -0.03 0.00 -3.03 0.00 0.00 36.82 35.51 2krb h ILE 38 CO -0.08 0.00 0.15 0.45 -0.68 0.00 0.00 178.15 177.99 2krb h HIS 39 N -0.13 1.10 0.08 1.37 3.86 -0.64 -1.22 115.15 119.56 2krb h HIS 39 Ca 0.19 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2krb h HIS 39 Cb 0.42 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2krb h HIS 39 CO -0.42 0.91 -0.04 0.87 0.86 0.00 0.00 177.93 180.12 2krb h LYS 40 N 0.97 -0.10 -0.56 2.45 6.56 -1.31 -1.22 116.57 123.35 2krb h LYS 40 Ca 0.20 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 2krb h LYS 40 Cb 0.37 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.03 2krb h LYS 40 CO 0.00 0.26 0.31 0.97 -2.06 0.00 0.00 179.45 178.93 2krb h ILE 41 N -0.48 1.18 -0.00 1.86 -0.00 -0.63 -2.74 117.51 116.70 2krb h ILE 41 Ca -0.01 -0.44 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 2krb h ILE 41 Cb 0.41 0.46 0.00 0.00 -0.00 0.00 0.00 36.82 37.69 2krb h ILE 41 CO 0.02 0.19 -0.08 0.49 -0.00 0.00 0.00 178.15 178.77 2krb n PHE 42 N -4.62 0.00 0.23 2.19 3.72 -0.47 -3.79 117.46 114.72 2krb n PHE 42 Ca 0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.49 2krb n PHE 42 Cb 0.08 -0.28 0.52 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.21 0.00 0.50 4.37 0.87 -0.89 -2.59 113.55 116.03 2krb h SER 43 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2krb h SER 43 Cb 0.36 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2krb h SER 43 CO 0.00 0.17 -0.09 0.07 -0.53 0.00 0.00 176.83 176.45 2krb h LYS 44 N 0.00 0.00 0.00 2.24 2.10 -1.74 -2.86 116.57 116.31 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 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2krb h LYS 44 CO 0.02 0.09 -0.86 1.19 -2.00 0.00 0.00 179.45 177.90 2krb n PHE 45 N -3.42 0.00 0.00 0.07 3.72 -0.98 -5.08 117.46 111.77 2krb n PHE 45 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2krb n PHE 45 Cb 0.25 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.50 0.03 2.94 1.37 0.00 -1.08 -4.83 105.19 105.11 2krb n GLY 46 Ca 0.04 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.56 0.48 -0.18 1.61 2.47 -1.26 -4.22 119.74 117.08 2krb s LYS 47 Ca 0.00 -0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.11 2krb s LYS 47 Cb 0.00 -0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 35.85 2krb s LYS 47 CO 0.00 0.07 0.33 0.42 0.16 0.00 0.00 175.35 176.33 2krb s ILE 48 N 0.11 5.27 -0.14 5.43 1.09 -1.26 -4.41 121.20 127.28 2krb s ILE 48 Ca -0.01 0.60 0.16 0.00 -1.10 0.00 0.00 60.65 60.31 2krb s ILE 48 Cb -0.05 -3.67 -0.24 0.00 -1.06 0.00 0.00 42.46 37.44 2krb s ILE 48 CO -0.00 0.34 0.33 1.07 -0.10 0.00 0.00 174.94 176.58 2krb n THR 49 N 3.89 1.38 -4.26 2.92 5.66 -1.23 -4.99 114.28 117.65 2krb n THR 49 Ca -0.11 -0.81 -0.24 0.00 -3.05 0.00 0.00 64.05 59.84 2krb n THR 49 Cb 0.52 -0.64 -0.07 0.00 -1.55 0.00 0.00 70.33 68.58 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 -5.65 4.63 -0.29 1.09 0.01 -0.98 -5.04 114.94 108.71 2krb s ASN 50 Ca -0.08 -0.55 -0.14 0.00 -0.71 0.00 0.00 52.86 51.39 2krb s ASN 50 Cb 0.07 -0.91 0.12 0.00 0.41 0.00 0.00 41.25 40.94 2krb s ASN 50 CO 0.83 0.03 0.77 1.51 -1.51 0.00 0.00 177.10 178.74 2krb s ASP 51 N -3.41 -0.88 -0.05 -1.22 1.47 -1.26 -3.90 116.67 107.42 2krb s ASP 51 Ca 0.30 1.30 0.00 0.00 1.18 0.00 0.00 52.55 55.33 2krb s ASP 51 Cb -0.07 1.69 0.02 0.00 -0.34 0.00 0.00 42.92 44.22 2krb s ASP 51 CO 0.19 -0.19 -0.03 -0.36 0.68 0.00 0.00 175.17 175.46 2krb s PHE 52 N 2.11 0.75 -0.58 2.11 0.08 0.30 -5.02 117.98 117.72 2krb s PHE 52 Ca -0.07 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.80 2krb s PHE 52 Cb -0.07 -0.72 0.14 0.00 -0.57 0.00 0.00 43.02 41.81 2krb s PHE 52 CO -0.18 -0.24 0.34 0.71 -0.10 0.00 0.00 175.22 175.75 2krb s TYR 53 N 1.22 3.26 1.08 0.36 1.51 -1.26 -1.35 117.35 122.17 2krb s TYR 53 Ca -0.06 -3.21 -0.15 0.00 -1.01 0.00 0.00 57.07 52.64 2krb s TYR 53 Cb -0.14 -2.73 0.23 0.00 -0.11 0.00 0.00 41.96 39.21 2krb s TYR 53 CO -0.02 -0.67 1.11 -1.25 -1.11 0.00 0.00 175.55 173.61 2krb s PRO 54 N -0.68 -0.23 0.26 -1.71 0.04 -1.26 -5.10 135.00 126.32 2krb s PRO 54 Ca 0.20 0.24 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 2krb s PRO 54 Cb -0.18 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2krb s PRO 54 CO -0.06 -3.11 0.33 -1.21 0.04 0.00 0.00 177.00 172.99 2krb s GLU 55 N -5.17 1.53 -0.31 4.56 2.02 -1.26 -4.60 118.70 115.46 2krb s GLU 55 Ca 0.68 -1.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 2krb s GLU 55 Cb -0.15 0.38 0.05 0.00 0.10 0.00 0.00 34.13 34.51 2krb s GLU 55 CO 0.57 -0.59 0.03 -1.83 0.02 0.00 0.00 175.26 173.46 2krb s GLU 56 N -3.79 2.45 -1.27 1.61 -1.05 -1.20 -4.74 118.70 110.70 2krb s GLU 56 Ca 0.32 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 2krb s GLU 56 Cb 0.03 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 2krb s GLU 56 CO 0.15 -0.65 0.00 -3.47 0.95 0.00 0.00 175.26 172.24 2krb n ASP 57 N 4.66 -4.02 0.00 0.83 2.03 -1.26 -0.18 116.55 118.60 2krb n ASP 57 Ca -0.13 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2krb n ASP 57 Cb 0.43 -3.51 0.00 0.00 -0.72 0.00 0.00 41.12 37.33 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krb n GLY 58 N -0.64 0.54 3.79 0.27 0.00 -1.26 -5.06 105.19 102.83 2krb n GLY 58 Ca -0.15 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 0.69 -1.67 1.61 5.02 0.75 -5.07 118.16 116.62 2krb n LYS 59 Ca 0.00 -3.52 -0.49 0.00 -2.02 0.00 0.00 58.31 52.28 2krb n LYS 59 Cb 0.00 0.51 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 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 -1.67 0.53 -0.90 -0.18 -2.24 -1.26 -3.25 114.28 105.30 2krb n THR 60 Ca -0.07 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2krb n THR 60 Cb 0.63 -1.82 0.25 0.00 -2.10 0.00 0.00 70.33 67.29 2krb n THR 60 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2krb s LYS 61 N 4.27 -1.73 0.00 -0.78 -2.85 -1.26 -4.55 119.74 112.84 2krb s LYS 61 Ca 0.95 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 2krb s LYS 61 Cb -0.73 -1.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.51 2krb s LYS 61 CO 0.52 -4.05 0.01 0.41 0.10 0.00 0.00 175.35 172.34 2krb n GLY 62 N -0.35 0.96 3.17 0.59 0.00 -1.20 -3.78 105.19 104.59 2krb n GLY 62 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2krb n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2krb s TYR 63 N -0.02 0.12 0.16 1.61 5.04 -1.26 -1.31 117.35 121.71 2krb s TYR 63 Ca 0.00 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.20 2krb s TYR 63 Cb 0.00 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.19 2krb s TYR 63 CO 0.00 -0.44 0.07 0.96 -1.34 0.00 0.00 175.55 174.80 2krb s ILE 64 N -2.92 0.22 -0.03 3.14 -5.25 -1.18 -4.39 121.20 110.79 2krb s ILE 64 Ca -0.02 -1.95 0.01 0.00 -0.99 0.00 0.00 60.65 57.69 2krb s ILE 64 Cb 0.01 -2.21 0.03 0.00 2.95 0.00 0.00 42.46 43.23 2krb s ILE 64 CO -0.06 -0.33 -0.01 0.12 -1.79 0.00 0.00 174.94 172.87 2krb s PHE 65 N -3.98 0.44 0.04 1.37 5.36 -0.45 -3.21 117.98 117.55 2krb s PHE 65 Ca 0.28 -0.06 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2krb s PHE 65 Cb 0.07 -0.49 -0.02 0.00 -0.34 0.00 0.00 43.02 42.25 2krb s PHE 65 CO 0.05 -0.15 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.04 2krb s LEU 66 N 0.99 2.19 -0.06 6.12 1.02 -0.63 -0.54 118.68 127.77 2krb s LEU 66 Ca -0.10 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2krb s LEU 66 Cb -0.14 -0.47 0.02 0.00 0.02 0.00 0.00 46.19 45.62 2krb s LEU 66 CO -0.01 -0.03 -0.06 -0.70 0.02 0.00 0.00 176.35 175.58 2krb s GLU 67 N -1.20 1.05 0.64 1.70 2.12 -1.25 -0.50 118.70 121.26 2krb s GLU 67 Ca -0.01 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 2krb s GLU 67 Cb -0.08 -1.05 0.04 0.00 0.26 0.00 0.00 34.13 33.30 2krb s GLU 67 CO 0.01 -0.11 0.94 0.71 -0.54 0.00 0.00 175.26 176.27 2krb s TYR 68 N 1.11 3.02 -1.43 5.30 2.02 -0.68 -2.32 117.35 124.37 2krb s TYR 68 Ca -0.08 0.44 0.21 0.00 -0.37 0.00 0.00 57.07 57.28 2krb s TYR 68 Cb -0.14 -2.97 1.07 0.00 -0.40 0.00 0.00 41.96 39.52 2krb s TYR 68 CO -0.01 -1.13 1.68 0.00 -1.57 0.00 0.00 175.55 174.53 2krb n ALA 69 N -2.72 2.11 -3.50 3.71 0.00 -1.26 -4.87 120.51 113.98 2krb n ALA 69 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2krb n ALA 69 Cb 0.59 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 2krb n ALA 69 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2krb s SER 70 N -2.57 -0.58 0.03 0.00 1.04 -1.26 -5.09 113.70 105.27 2krb s SER 70 Ca 0.20 0.45 -0.23 0.00 0.48 0.00 0.00 55.95 56.86 2krb s SER 70 Cb 0.14 0.52 -0.15 0.00 0.10 0.00 0.00 66.02 66.63 2krb s SER 70 CO 0.32 -0.67 1.41 1.55 0.98 0.00 0.00 173.24 176.84 2krb h PRO 71 N 2.63 0.18 0.00 4.02 0.13 -1.88 -2.68 132.00 134.40 2krb h PRO 71 Ca -0.27 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2krb h PRO 71 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2krb h PRO 71 CO 0.37 0.50 0.30 0.00 -0.23 0.00 0.00 178.00 178.94 2krb h ALA 72 N 0.68 1.27 0.03 -0.56 0.00 -1.98 -0.00 119.26 118.69 2krb h ALA 72 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2krb h ALA 72 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2krb h ALA 72 CO 0.01 -0.27 -0.92 0.45 0.00 0.00 0.00 179.25 178.52 2krb h HIS 73 N 0.00 0.12 0.34 0.00 3.86 -1.80 -3.29 115.15 114.38 2krb h HIS 73 Ca 0.00 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2krb h HIS 73 Cb 0.60 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2krb h HIS 73 CO 0.00 1.36 -0.16 0.00 0.86 0.00 0.00 177.93 179.99 2krb h ALA 74 N -0.22 -0.45 -0.64 2.45 0.00 -1.26 0.34 119.26 119.47 2krb h ALA 74 Ca -0.23 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2krb h ALA 74 Cb 1.33 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 2krb h ALA 74 CO -0.07 -0.63 0.43 -0.39 0.00 0.00 0.00 179.25 178.58 2krb h VAL 75 N -0.71 1.00 0.41 0.00 -1.51 -1.23 -0.48 116.25 113.75 2krb h VAL 75 Ca -0.05 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 2krb h VAL 75 Cb 0.49 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2krb h VAL 75 CO 0.08 0.12 -0.20 -0.78 -1.23 0.00 0.00 177.57 175.56 2krb h ASP 76 N 0.64 -0.47 -0.95 4.19 3.58 -1.62 -3.24 116.42 118.54 2krb h ASP 76 Ca 0.28 0.02 0.20 0.00 0.42 0.00 0.00 57.03 57.95 2krb h ASP 76 Cb 0.28 0.12 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 2krb h ASP 76 CO -0.09 -0.23 0.53 0.00 -2.88 0.00 0.00 179.24 176.58 2krb h ALA 77 N -1.53 1.58 -0.15 -0.78 0.00 -0.20 0.12 119.26 118.30 2krb h ALA 77 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2krb h ALA 77 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2krb h ALA 77 CO 0.09 -0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.38 2krb h VAL 78 N 0.62 0.77 -0.00 0.00 2.07 -1.25 0.95 116.25 119.41 2krb h VAL 78 Ca 0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.09 2krb h VAL 78 Cb 0.97 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2krb h VAL 78 CO -0.43 0.00 -0.07 1.17 0.02 0.00 0.00 177.57 178.26 2krb n LYS 79 N -5.21 0.60 -0.00 1.57 0.00 -0.24 -3.21 118.16 111.68 2krb n LYS 79 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 58.31 58.18 2krb n LYS 79 Cb 0.14 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.61 2krb n LYS 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2krb n ASN 80 N -1.08 3.13 -0.18 3.14 3.02 0.27 -4.66 115.26 118.89 2krb n ASN 80 Ca 0.15 -0.02 0.09 0.00 -0.03 0.00 0.00 54.58 54.77 2krb n ASN 80 Cb 0.26 1.35 0.14 0.00 -0.61 0.00 0.00 39.78 40.92 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 -1.76 2.33 -1.49 5.41 0.00 0.30 -5.01 120.51 120.29 2krb n ALA 81 Ca -0.01 -2.39 -0.13 0.00 0.00 0.00 0.00 53.44 50.91 2krb n ALA 81 Cb 0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 2krb n ALA 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2krb n ASP 82 N -1.18 0.75 -0.27 0.00 2.03 -1.20 -3.97 116.55 112.72 2krb n ASP 82 Ca 0.15 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.74 2krb n ASP 82 Cb 0.63 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 2krb n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krb n GLY 83 N 6.12 -0.65 3.76 0.27 0.00 -1.23 -4.86 105.19 108.60 2krb n GLY 83 Ca 0.42 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 2.61 -1.22 1.61 2.02 -1.25 -4.71 117.35 116.40 2krb s TYR 84 Ca 0.00 1.49 -0.07 0.00 -0.37 0.00 0.00 57.07 58.12 2krb s TYR 84 Cb 0.00 -3.50 0.21 0.00 -0.40 0.00 0.00 41.96 38.27 2krb s TYR 84 CO 0.00 -2.00 1.80 0.36 -1.57 0.00 0.00 175.55 174.13 2krb n LYS 85 N -0.92 3.95 -0.30 -0.62 0.00 -1.26 -4.23 118.16 114.78 2krb n LYS 85 Ca 0.10 -3.83 0.12 0.00 -0.00 0.00 0.00 58.31 54.70 2krb n LYS 85 Cb 0.48 -2.79 0.27 0.00 -0.00 0.00 0.00 35.03 32.99 2krb n LYS 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2krb h LEU 86 N 6.99 -0.12 0.00 -5.58 5.85 -1.93 -3.41 115.31 117.11 2krb h LEU 86 Ca 0.36 0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2krb h LEU 86 Cb 0.60 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2krb h LEU 86 CO 1.53 -0.19 0.00 -0.67 -0.34 0.00 0.00 178.44 178.77 2krb n ASP 87 N -5.28 -0.69 0.20 1.25 2.03 -1.26 -5.08 116.55 107.73 2krb n ASP 87 Ca 0.21 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.76 2krb n ASP 87 Cb 0.67 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.88 2krb n ASP 87 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2krb n LYS 88 N -2.85 0.00 0.00 -0.67 0.00 -1.26 -5.00 118.16 108.38 2krb n LYS 88 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2krb n LYS 88 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 2krb n LYS 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2krb h GLN 89 N 0.00 0.00 -6.37 1.64 7.50 -1.98 -3.45 115.11 112.45 2krb h GLN 89 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 2krb h GLN 89 Cb 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.44 2krb h GLN 89 CO 0.00 0.58 0.73 -1.01 -1.50 0.00 0.00 178.83 177.63 2krb s HIS 90 N -2.65 2.90 0.22 2.96 3.76 -1.26 -5.03 115.29 116.20 2krb s HIS 90 Ca -0.03 0.57 0.08 0.00 -0.15 0.00 0.00 55.06 55.53 2krb s HIS 90 Cb 0.08 -4.12 -0.05 0.00 1.11 0.00 0.00 32.58 29.60 2krb s HIS 90 CO 0.82 -1.14 -0.15 0.99 -0.85 0.00 0.00 174.74 174.42 2krb s THR 91 N 4.01 1.87 0.42 1.30 2.01 -1.26 -3.41 115.64 120.57 2krb s THR 91 Ca 0.42 -2.24 0.03 0.00 0.31 0.00 0.00 61.69 60.21 2krb s THR 91 Cb -0.09 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2krb s THR 91 CO 0.28 -0.54 0.08 -0.36 -0.69 0.00 0.00 174.62 173.39 2krb s PHE 92 N -2.89 1.87 -0.33 4.92 0.40 -1.26 -4.85 117.98 115.84 2krb s PHE 92 Ca 0.24 -1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 55.43 2krb s PHE 92 Cb -0.01 -1.31 0.12 0.00 0.51 0.00 0.00 43.02 42.32 2krb s PHE 92 CO 0.09 -0.09 0.16 1.03 0.70 0.00 0.00 175.22 177.10 2krb s ARG 93 N -3.78 0.58 -0.26 0.44 1.81 -1.23 -3.56 118.95 112.95 2krb s ARG 93 Ca 0.22 -1.09 -0.24 0.00 -1.72 0.00 0.00 55.73 52.90 2krb s ARG 93 Cb 0.04 -1.58 -0.00 0.00 -0.45 0.00 0.00 34.95 32.95 2krb s ARG 93 CO 0.12 -1.08 0.83 0.08 -0.68 0.00 0.00 175.30 174.57 2krb s VAL 94 N 1.46 4.82 0.00 3.52 1.01 -1.26 -2.80 120.40 127.16 2krb s VAL 94 Ca 0.13 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2krb s VAL 94 Cb -0.19 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2krb s VAL 94 CO -0.19 -0.12 0.08 0.59 0.00 0.00 0.00 175.10 175.46