#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 0.72 -4.05 -1.12 7.64 -1.26 -4.33 113.62 111.21 2krb n SER 16 Ca 0.00 -1.26 -0.09 0.00 1.01 0.00 0.00 58.87 58.53 2krb n SER 16 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.26 0.14 0.07 0.44 -7.23 -1.26 -2.77 120.40 109.53 2krb s VAL 17 Ca 0.00 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2krb s VAL 17 Cb 0.00 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2krb s VAL 17 CO 0.00 -0.65 -0.13 0.27 -0.31 0.00 0.00 175.10 174.28 2krb s ILE 18 N -3.96 1.03 -0.03 -0.62 -4.36 0.09 -4.84 121.20 108.51 2krb s ILE 18 Ca 0.14 -1.28 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 2krb s ILE 18 Cb 0.07 -1.01 0.02 0.00 1.25 0.00 0.00 42.46 42.78 2krb s ILE 18 CO -0.04 -0.25 -0.03 -0.69 0.24 0.00 0.00 174.94 174.16 2krb s VAL 19 N -1.31 0.37 0.11 8.37 1.01 0.09 -1.79 120.40 127.25 2krb s VAL 19 Ca -0.03 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2krb s VAL 19 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2krb s VAL 19 CO 0.02 0.17 0.06 0.68 0.00 0.00 0.00 175.10 176.03 2krb s VAL 20 N 0.68 4.29 0.28 2.92 -7.23 -1.16 -0.95 120.40 119.24 2krb s VAL 20 Ca -0.08 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2krb s VAL 20 Cb -0.11 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 2krb s VAL 20 CO -0.01 0.05 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.20 2krb s ASP 21 N -2.58 2.51 -1.36 4.85 -1.08 -0.91 -3.29 116.67 114.81 2krb s ASP 21 Ca 0.28 -1.25 -0.09 0.00 -0.52 0.00 0.00 52.55 50.98 2krb s ASP 21 Cb -0.11 -0.12 0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2krb s ASP 21 CO 0.21 -0.44 1.13 -3.20 0.52 0.00 0.00 175.17 173.39 2krb n ASN 22 N -0.58 -6.35 -4.14 -0.34 5.15 -1.12 -3.01 115.26 104.87 2krb n ASN 22 Ca -0.05 -0.52 -0.37 0.00 -0.60 0.00 0.00 54.58 53.04 2krb n ASN 22 Cb 0.64 -4.99 -0.05 0.00 -0.53 0.00 0.00 39.78 34.85 2krb n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2krb s VAL 23 N -3.31 4.60 0.39 3.44 0.11 -0.33 -4.76 120.40 120.55 2krb s VAL 23 Ca 0.56 -3.79 -0.26 0.00 -2.93 0.00 0.00 61.98 55.55 2krb s VAL 23 Cb -0.25 -3.84 -0.09 0.00 -1.53 0.00 0.00 36.38 30.67 2krb s VAL 23 CO 0.70 -1.10 1.28 -2.16 -3.33 0.00 0.00 175.10 170.48 2krb s PRO 24 N -1.33 4.07 0.94 1.54 0.04 -1.26 -3.44 135.00 135.57 2krb s PRO 24 Ca 0.28 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 2krb s PRO 24 Cb -0.08 -2.82 0.15 0.00 0.04 0.00 0.00 34.50 31.80 2krb s PRO 24 CO -0.12 -0.39 1.10 -1.14 0.04 0.00 0.00 177.00 176.49 2krb s GLN 25 N -2.14 0.89 0.31 4.56 -0.44 -0.90 -4.97 119.66 116.97 2krb s GLN 25 Ca 0.55 1.18 0.03 0.00 -2.50 0.00 0.00 55.36 54.61 2krb s GLN 25 Cb -0.37 -1.74 -0.04 0.00 -1.64 0.00 0.00 33.01 29.22 2krb s GLN 25 CO 0.48 -2.60 0.12 0.14 0.50 0.00 0.00 175.29 173.93 2krb s VAL 26 N -2.72 0.56 0.75 1.34 -7.23 -1.26 -4.96 120.40 106.88 2krb s VAL 26 Ca 0.65 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 2krb s VAL 26 Cb -0.21 -2.57 0.18 0.00 0.56 0.00 0.00 36.38 34.34 2krb s VAL 26 CO 0.59 0.00 0.80 0.61 -0.31 0.00 0.00 175.10 176.79 2krb n GLY 27 N -0.61 -2.11 3.52 2.32 0.00 -1.26 -4.61 105.19 102.44 2krb n GLY 27 Ca -0.01 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.79 -0.69 0.00 1.61 0.04 -1.26 -1.96 135.00 127.95 2krb s PRO 28 Ca 0.49 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2krb s PRO 28 Cb -0.03 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2krb s PRO 28 CO 0.36 -3.56 0.00 -3.47 0.04 0.00 0.00 177.00 170.37 2krb n ASP 29 N -4.80 -1.41 0.00 6.66 2.03 -1.26 -4.51 116.55 113.25 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 0.55 -2.23 0.00 0.00 -0.72 0.00 0.00 41.12 38.72 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 -1.43 0.73 -0.23 -0.67 0.63 -1.22 -4.91 116.66 109.56 2krb n ARG 30 Ca 0.00 0.00 0.23 0.00 -0.92 0.00 0.00 57.85 57.16 2krb n ARG 30 Cb 0.10 -0.43 0.58 0.00 0.45 0.00 0.00 32.46 33.17 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 0.27 -0.31 6.15 -0.00 -1.62 -1.13 115.31 118.68 2krb h LEU 31 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.81 2krb h LEU 31 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.10 -0.19 -0.33 -0.00 0.00 0.00 178.44 178.02 2krb h GLU 32 N 0.27 0.67 -0.98 0.17 4.39 -1.91 -2.96 114.58 114.22 2krb h GLU 32 Ca 0.46 -0.31 0.19 0.00 0.34 0.00 0.00 59.36 60.05 2krb h GLU 32 Cb 1.37 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.92 2krb h GLU 32 CO -0.13 0.91 0.61 0.87 -1.16 0.00 0.00 179.01 180.11 2krb h LYS 33 N 0.42 0.65 -0.79 2.33 6.56 -1.56 0.04 116.57 124.23 2krb h LYS 33 Ca 0.06 -0.04 0.13 0.00 -1.06 0.00 0.00 60.65 59.74 2krb h LYS 33 Cb 0.73 -0.15 -0.09 0.00 -0.57 0.00 0.00 32.23 32.16 2krb h LYS 33 CO 0.05 0.43 0.38 -0.07 -2.06 0.00 0.00 179.45 178.18 2krb h LEU 34 N 0.67 0.45 0.00 2.94 3.38 -1.36 0.25 115.31 121.64 2krb h LEU 34 Ca 0.55 0.09 -0.25 0.00 0.09 0.00 0.00 57.88 58.36 2krb h LEU 34 Cb 0.97 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2krb h LEU 34 CO -0.32 0.20 -1.70 1.17 0.09 0.00 0.00 178.44 177.88 2krb n LYS 35 N -4.90 0.64 0.39 1.13 0.00 -0.93 -4.04 118.16 110.45 2krb n LYS 35 Ca 0.15 0.21 -0.15 0.00 0.00 0.00 0.00 58.31 58.51 2krb n LYS 35 Cb 0.38 -1.75 -0.07 0.00 0.00 0.00 0.00 35.03 33.59 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 0.00 -0.85 -0.80 3.14 2.35 -0.48 -3.21 115.58 115.72 2krb h ASN 36 Ca -0.27 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 55.67 2krb h ASN 36 Cb 1.85 0.22 -0.06 0.00 0.05 0.00 0.00 38.32 40.39 2krb h ASN 36 CO 0.06 -0.57 0.53 -0.37 -1.65 0.00 0.00 177.43 175.43 2krb h VAL 37 N -1.09 0.79 -0.45 2.81 -1.51 -0.73 0.19 116.25 116.26 2krb h VAL 37 Ca -0.10 -0.16 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 2krb h VAL 37 Cb 0.77 0.27 -0.10 0.00 -2.13 0.00 0.00 31.29 30.11 2krb h VAL 37 CO 0.17 0.09 -0.39 0.40 -1.23 0.00 0.00 177.57 176.61 2krb h ILE 38 N 0.48 0.15 -0.32 7.19 5.03 -1.70 0.14 117.51 128.47 2krb h ILE 38 Ca 0.40 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 65.10 2krb h ILE 38 Cb 0.85 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 34.77 2krb h ILE 38 CO -0.14 0.00 0.02 0.45 -0.68 0.00 0.00 178.15 177.80 2krb h HIS 39 N -0.27 0.50 0.17 1.37 3.86 -0.62 -1.25 115.15 118.90 2krb h HIS 39 Ca 0.17 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2krb h HIS 39 Cb 0.57 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2krb h HIS 39 CO -0.61 0.48 -0.08 0.87 0.86 0.00 0.00 177.93 179.44 2krb h LYS 40 N 0.47 -0.23 -0.81 2.45 6.56 -1.10 -1.93 116.57 121.98 2krb h LYS 40 Ca 0.11 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2krb h LYS 40 Cb 0.27 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.93 2krb h LYS 40 CO 0.01 0.19 0.51 0.97 -2.06 0.00 0.00 179.45 179.07 2krb h ILE 41 N -0.82 1.10 -0.01 1.86 -0.00 -0.68 -2.10 117.51 116.87 2krb h ILE 41 Ca -0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 2krb h ILE 41 Cb 0.52 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.37 2krb h ILE 41 CO 0.04 0.18 -0.03 0.49 -0.00 0.00 0.00 178.15 178.83 2krb n PHE 42 N -4.60 0.00 0.16 2.19 3.72 -0.48 -3.87 117.46 114.57 2krb n PHE 42 Ca 0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 2krb n PHE 42 Cb 0.11 -0.05 0.22 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.91 0.00 0.59 4.37 0.87 -0.61 -3.15 113.55 116.52 2krb h SER 43 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2krb h SER 43 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2krb h SER 43 CO 0.00 0.50 -0.18 0.07 -0.53 0.00 0.00 176.83 176.69 2krb h LYS 44 N 0.00 0.00 0.00 2.24 2.10 -1.71 -2.97 116.57 116.23 2krb h LYS 44 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2krb h LYS 44 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2krb h LYS 44 CO 0.07 0.18 -0.69 1.19 -2.00 0.00 0.00 179.45 178.20 2krb n PHE 45 N -3.56 0.03 0.00 0.07 3.72 -1.19 -5.07 117.46 111.45 2krb n PHE 45 Ca -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2krb n PHE 45 Cb 0.33 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.49 0.07 2.90 1.37 0.00 -1.12 -4.81 105.19 105.09 2krb n GLY 46 Ca 0.05 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 0.76 -0.08 1.61 2.47 -1.26 -4.17 119.74 117.06 2krb s LYS 47 Ca 0.00 -0.11 -0.28 0.00 -1.56 0.00 0.00 55.97 54.02 2krb s LYS 47 Cb 0.00 -0.77 -0.02 0.00 -1.46 0.00 0.00 37.83 35.58 2krb s LYS 47 CO 0.00 -0.06 0.92 0.42 0.16 0.00 0.00 175.35 176.79 2krb s ILE 48 N 0.79 4.87 -0.19 5.43 1.09 -1.26 -4.34 121.20 127.59 2krb s ILE 48 Ca -0.10 1.87 0.11 0.00 -1.10 0.00 0.00 60.65 61.43 2krb s ILE 48 Cb -0.13 -4.24 -0.23 0.00 -1.06 0.00 0.00 42.46 36.80 2krb s ILE 48 CO 0.00 0.09 0.10 1.07 -0.10 0.00 0.00 174.94 176.11 2krb n THR 49 N 4.28 1.48 -3.71 2.92 5.66 -1.20 -5.00 114.28 118.71 2krb n THR 49 Ca 0.06 -0.76 -0.20 0.00 -3.05 0.00 0.00 64.05 60.09 2krb n THR 49 Cb 0.50 -0.88 -0.03 0.00 -1.55 0.00 0.00 70.33 68.37 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 -5.95 5.50 -0.29 1.09 0.01 -1.04 -5.05 114.94 109.20 2krb s ASN 50 Ca -0.16 -0.40 -0.15 0.00 -0.71 0.00 0.00 52.86 51.43 2krb s ASN 50 Cb 0.07 -1.05 0.14 0.00 0.41 0.00 0.00 41.25 40.82 2krb s ASN 50 CO 0.77 -0.38 0.92 1.51 -1.51 0.00 0.00 177.10 178.41 2krb s ASP 51 N -4.05 -0.63 -0.08 -1.22 1.47 -1.26 -4.17 116.67 106.73 2krb s ASP 51 Ca 0.42 0.94 -0.02 0.00 1.18 0.00 0.00 52.55 55.08 2krb s ASP 51 Cb -0.07 1.45 0.03 0.00 -0.34 0.00 0.00 42.92 44.00 2krb s ASP 51 CO 0.28 -0.14 0.03 -0.36 0.68 0.00 0.00 175.17 175.65 2krb s PHE 52 N 1.84 0.50 -0.64 2.11 0.40 0.01 -5.03 117.98 117.16 2krb s PHE 52 Ca -0.07 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2krb s PHE 52 Cb -0.05 -0.72 0.16 0.00 0.51 0.00 0.00 43.02 42.91 2krb s PHE 52 CO -0.17 -0.33 0.43 0.71 0.70 0.00 0.00 175.22 176.57 2krb s TYR 53 N 2.03 3.42 1.14 0.36 1.51 -1.26 -1.32 117.35 123.22 2krb s TYR 53 Ca 0.04 -3.06 -0.17 0.00 -1.01 0.00 0.00 57.07 52.88 2krb s TYR 53 Cb -0.13 -2.97 0.26 0.00 -0.11 0.00 0.00 41.96 39.01 2krb s TYR 53 CO -0.05 -0.73 1.10 -1.25 -1.11 0.00 0.00 175.55 173.51 2krb s PRO 54 N -0.62 -0.69 0.26 -1.71 0.04 -1.26 -5.10 135.00 125.92 2krb s PRO 54 Ca 0.20 0.17 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 2krb s PRO 54 Cb -0.17 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2krb s PRO 54 CO -0.06 -3.41 0.33 -1.21 0.04 0.00 0.00 177.00 172.69 2krb s GLU 55 N -5.20 1.51 -0.32 4.56 2.02 -1.26 -4.56 118.70 115.44 2krb s GLU 55 Ca 0.69 -1.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 2krb s GLU 55 Cb -0.14 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.53 2krb s GLU 55 CO 0.57 -0.58 0.05 -1.83 0.02 0.00 0.00 175.26 173.49 2krb s GLU 56 N -3.81 2.38 -1.35 1.61 -1.05 -1.13 -4.71 118.70 110.63 2krb s GLU 56 Ca 0.32 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 2krb s GLU 56 Cb 0.03 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.43 2krb s GLU 56 CO 0.14 -0.70 0.00 -0.25 0.95 0.00 0.00 175.26 175.40 2krb n ASP 57 N 4.64 -4.27 0.00 0.83 8.00 -1.26 -0.14 116.55 124.36 2krb n ASP 57 Ca -0.11 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2krb n ASP 57 Cb 0.43 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 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 -0.67 0.52 3.88 0.44 0.00 -1.26 -5.05 105.19 103.05 2krb n GLY 58 Ca -0.17 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 2krb n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krb s LYS 59 N -0.38 2.24 -0.52 1.61 1.02 0.80 -5.06 119.74 119.46 2krb s LYS 59 Ca 0.00 -2.10 -0.34 0.00 0.02 0.00 0.00 55.97 53.55 2krb s LYS 59 Cb 0.00 -2.00 -0.14 0.00 -0.52 0.00 0.00 37.83 35.17 2krb s LYS 59 CO 0.00 -0.59 2.32 0.25 -0.92 0.00 0.00 175.35 176.41 2krb n THR 60 N -1.69 0.08 -0.44 2.17 -2.24 -1.26 -2.82 114.28 108.08 2krb n THR 60 Ca -0.05 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2krb n THR 60 Cb 0.65 -1.44 0.26 0.00 -2.10 0.00 0.00 70.33 67.70 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 8.29 -2.99 0.00 -0.78 2.85 -1.26 -4.64 118.16 119.63 2krb n LYS 61 Ca 0.47 -0.86 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 2krb n LYS 61 Cb 0.20 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 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 1.39 0.28 3.16 2.58 0.00 -1.22 -2.12 105.19 109.25 2krb n GLY 62 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.11 0.11 0.16 1.61 5.04 -1.25 -1.19 117.35 121.71 2krb s TYR 63 Ca 0.00 -0.36 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 2krb s TYR 63 Cb 0.00 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 2krb s TYR 63 CO 0.00 -0.42 0.02 0.96 -1.34 0.00 0.00 175.55 174.77 2krb s ILE 64 N -2.66 0.49 -0.05 3.14 -5.25 -1.21 -4.41 121.20 111.25 2krb s ILE 64 Ca -0.04 -1.95 0.01 0.00 -0.99 0.00 0.00 60.65 57.67 2krb s ILE 64 Cb -0.01 -2.08 0.02 0.00 2.95 0.00 0.00 42.46 43.34 2krb s ILE 64 CO -0.05 -0.48 -0.04 0.12 -1.79 0.00 0.00 174.94 172.70 2krb s PHE 65 N -3.78 0.77 0.07 1.37 5.36 -0.44 -2.97 117.98 118.35 2krb s PHE 65 Ca 0.24 -0.22 0.05 0.00 -0.96 0.00 0.00 56.93 56.04 2krb s PHE 65 Cb 0.07 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 42.01 2krb s PHE 65 CO 0.03 -0.22 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.91 2krb s LEU 66 N 1.10 2.27 -0.02 6.12 1.43 -0.74 -0.81 118.68 128.03 2krb s LEU 66 Ca -0.08 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2krb s LEU 66 Cb -0.14 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.54 2krb s LEU 66 CO -0.01 -0.06 -0.05 -0.70 0.23 0.00 0.00 176.35 175.76 2krb s GLU 67 N -1.72 0.67 0.51 1.70 2.12 -1.26 -0.74 118.70 119.98 2krb s GLU 67 Ca -0.01 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.18 2krb s GLU 67 Cb -0.10 -0.67 0.03 0.00 0.26 0.00 0.00 34.13 33.65 2krb s GLU 67 CO 0.02 0.03 0.72 0.71 -0.54 0.00 0.00 175.26 176.20 2krb s TYR 68 N 0.38 2.87 -1.63 5.30 2.02 -1.11 -2.50 117.35 122.67 2krb s TYR 68 Ca -0.05 -0.09 0.23 0.00 -0.37 0.00 0.00 57.07 56.79 2krb s TYR 68 Cb -0.09 -2.64 1.23 0.00 -0.40 0.00 0.00 41.96 40.07 2krb s TYR 68 CO -0.00 -0.73 1.75 0.00 -1.57 0.00 0.00 175.55 174.99 2krb n ALA 69 N -2.21 2.24 -3.49 3.71 0.00 -1.26 -4.88 120.51 114.62 2krb n ALA 69 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2krb n ALA 69 Cb 0.59 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.37 -0.52 0.06 0.00 1.04 -1.26 -5.08 113.70 105.57 2krb s SER 70 Ca 0.26 0.28 -0.21 0.00 0.48 0.00 0.00 55.95 56.76 2krb s SER 70 Cb 0.15 0.49 -0.12 0.00 0.10 0.00 0.00 66.02 66.63 2krb s SER 70 CO 0.32 -0.68 1.51 1.55 0.98 0.00 0.00 173.24 176.92 2krb h PRO 71 N 2.38 0.23 -0.12 4.02 0.13 -1.86 -2.88 132.00 133.90 2krb h PRO 71 Ca -0.27 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2krb h PRO 71 Cb 1.22 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2krb h PRO 71 CO 0.36 0.43 0.37 0.00 -0.23 0.00 0.00 178.00 178.93 2krb h ALA 72 N 0.79 1.58 0.08 -0.56 0.00 -1.97 0.01 119.26 119.19 2krb h ALA 72 Ca 0.04 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2krb h ALA 72 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2krb h ALA 72 CO 0.00 -0.44 -0.92 0.45 0.00 0.00 0.00 179.25 178.35 2krb h HIS 73 N 0.00 0.32 0.06 0.00 3.86 -1.82 -3.27 115.15 114.29 2krb h HIS 73 Ca 0.06 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2krb h HIS 73 Cb 0.80 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2krb h HIS 73 CO 0.00 1.36 -0.03 0.00 0.86 0.00 0.00 177.93 180.12 2krb h ALA 74 N -0.06 -0.08 -0.10 2.45 0.00 -1.22 -0.09 119.26 120.17 2krb h ALA 74 Ca -0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2krb h ALA 74 Cb 1.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2krb h ALA 74 CO 0.04 -0.34 0.02 -0.39 0.00 0.00 0.00 179.25 178.58 2krb h VAL 75 N -0.48 1.06 0.35 0.00 -1.51 -1.24 -0.68 116.25 113.75 2krb h VAL 75 Ca -0.01 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 2krb h VAL 75 Cb 0.42 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2krb h VAL 75 CO 0.01 0.07 -0.17 -0.78 -1.23 0.00 0.00 177.57 175.47 2krb h ASP 76 N 0.14 -0.40 -0.91 4.19 3.58 -1.61 -3.31 116.42 118.11 2krb h ASP 76 Ca 0.04 0.01 0.18 0.00 0.42 0.00 0.00 57.03 57.68 2krb h ASP 76 Cb 0.06 0.10 -0.11 0.00 1.72 0.00 0.00 39.33 41.11 2krb h ASP 76 CO -0.00 -0.10 0.48 0.00 -2.88 0.00 0.00 179.24 176.74 2krb h ALA 77 N -1.41 1.45 -0.39 -0.78 0.00 -0.44 0.49 119.26 118.18 2krb h ALA 77 Ca -0.05 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2krb h ALA 77 Cb 0.36 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2krb h ALA 77 CO 0.08 -0.15 -0.06 0.28 0.00 0.00 0.00 179.25 179.40 2krb h VAL 78 N 0.60 0.65 -0.35 0.00 2.07 -1.31 -0.76 116.25 117.16 2krb h VAL 78 Ca 0.53 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.03 2krb h VAL 78 Cb 0.86 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2krb h VAL 78 CO -0.42 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.47 2krb n LYS 79 N -5.26 3.35 0.00 1.57 4.01 -0.00 -3.53 118.16 118.31 2krb n LYS 79 Ca 0.02 -1.90 0.00 0.00 -0.51 0.00 0.00 58.31 55.92 2krb n LYS 79 Cb 0.21 -1.96 0.00 0.00 -0.51 0.00 0.00 35.03 32.77 2krb n LYS 79 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2krb n ASN 80 N 0.38 0.25 -0.42 4.39 3.02 -0.25 -4.85 115.26 117.78 2krb n ASN 80 Ca 0.17 -0.74 0.01 0.00 -0.03 0.00 0.00 54.58 53.99 2krb n ASN 80 Cb 0.82 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 40.13 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 -0.12 1.97 -1.59 5.41 0.00 -0.37 -5.00 120.51 120.81 2krb n ALA 81 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 2krb n ALA 81 Cb 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.16 1.55 0.00 0.00 2.03 -1.23 -4.06 116.55 114.67 2krb n ASP 82 Ca 0.02 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.81 2krb n ASP 82 Cb 0.68 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 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 6.03 0.24 3.76 0.27 0.00 -1.24 -4.85 105.19 109.41 2krb n GLY 83 Ca 0.42 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 2.71 -1.45 1.61 2.02 -1.26 -4.73 117.35 116.25 2krb s TYR 84 Ca 0.00 1.45 -0.10 0.00 -0.37 0.00 0.00 57.07 58.05 2krb s TYR 84 Cb 0.00 -3.58 0.04 0.00 -0.40 0.00 0.00 41.96 38.01 2krb s TYR 84 CO 0.00 -2.05 2.42 0.36 -1.57 0.00 0.00 175.55 174.71 2krb n LYS 85 N -0.41 3.58 0.03 -0.62 0.00 -1.26 -4.44 118.16 115.03 2krb n LYS 85 Ca 0.07 -2.81 0.02 0.00 -0.00 0.00 0.00 58.31 55.59 2krb n LYS 85 Cb 0.46 -2.95 0.09 0.00 -0.00 0.00 0.00 35.03 32.63 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 4.10 0.08 -0.45 -5.58 7.94 -1.26 -4.82 117.00 117.01 2krb n LEU 86 Ca 0.60 0.51 -0.05 0.00 -1.11 0.00 0.00 56.01 55.97 2krb n LEU 86 Cb 0.31 -0.52 -0.01 0.00 0.53 0.00 0.00 43.42 43.73 2krb n LEU 86 CO 0.83 -0.54 -0.05 -0.67 -1.11 0.00 0.00 177.39 175.85 2krb n ASP 87 N -1.59 -2.78 -4.92 1.96 2.03 -1.26 -5.06 116.55 104.94 2krb n ASP 87 Ca -0.00 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.15 2krb n ASP 87 Cb 0.04 -1.48 -0.01 0.00 -0.72 0.00 0.00 41.12 38.94 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 -3.39 2.50 0.35 -0.67 2.36 -1.26 -5.06 119.74 114.57 2krb s LYS 88 Ca 0.00 -1.59 0.15 0.00 -2.55 0.00 0.00 55.97 51.98 2krb s LYS 88 Cb 0.00 -2.41 0.64 0.00 -1.05 0.00 0.00 37.83 35.00 2krb s LYS 88 CO 0.00 -0.35 1.74 1.96 1.55 0.00 0.00 175.35 180.25 2krb h GLN 89 N 0.83 0.00 -6.27 4.03 7.50 -2.03 -3.44 115.11 115.73 2krb h GLN 89 Ca -0.39 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.14 2krb h GLN 89 Cb 1.28 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.54 2krb h GLN 89 CO 0.54 0.44 -0.86 -1.01 -1.50 0.00 0.00 178.83 176.44 2krb s HIS 90 N -3.81 1.97 0.52 2.96 3.76 -1.26 -5.16 115.29 114.27 2krb s HIS 90 Ca -0.01 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 2krb s HIS 90 Cb 0.13 -1.19 0.03 0.00 1.11 0.00 0.00 32.58 32.65 2krb s HIS 90 CO 0.72 0.08 0.72 0.99 -0.85 0.00 0.00 174.74 176.40 2krb s THR 91 N -0.76 2.75 0.63 1.30 2.01 -1.26 -4.96 115.64 115.36 2krb s THR 91 Ca 0.09 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2krb s THR 91 Cb -0.09 -3.00 0.06 0.00 0.01 0.00 0.00 72.50 69.49 2krb s THR 91 CO 0.01 0.00 0.88 -0.36 -0.69 0.00 0.00 174.62 174.47 2krb s PHE 92 N -2.65 2.52 -0.34 4.92 0.40 -1.26 -4.88 117.98 116.70 2krb s PHE 92 Ca 0.57 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 2krb s PHE 92 Cb -0.10 -2.92 0.12 0.00 0.51 0.00 0.00 43.02 40.63 2krb s PHE 92 CO 0.37 -1.21 0.16 1.03 0.70 0.00 0.00 175.22 176.27 2krb s ARG 93 N -4.97 0.59 -0.33 0.44 1.81 -1.16 -3.59 118.95 111.74 2krb s ARG 93 Ca 0.60 -1.12 -0.21 0.00 -1.72 0.00 0.00 55.73 53.28 2krb s ARG 93 Cb -0.09 -1.58 -0.00 0.00 -0.45 0.00 0.00 34.95 32.83 2krb s ARG 93 CO 0.41 -1.09 0.68 0.08 -0.68 0.00 0.00 175.30 174.71 2krb s VAL 94 N 1.42 4.87 0.00 3.52 1.01 -1.26 -2.14 120.40 127.81 2krb s VAL 94 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2krb s VAL 94 Cb -0.20 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2krb s VAL 94 CO -0.17 -0.25 0.10 0.59 0.00 0.00 0.00 175.10 175.36