#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 1.26 -4.21 -2.24 7.64 -1.26 -4.40 113.62 110.41 2krb n SER 16 Ca 0.00 -1.46 -0.12 0.00 1.01 0.00 0.00 58.87 58.30 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 -0.46 0.39 0.09 0.44 -7.23 -1.26 -2.27 120.40 110.10 2krb s VAL 17 Ca 0.00 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2krb s VAL 17 Cb 0.00 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 2krb s VAL 17 CO 0.00 -0.40 -0.11 0.27 -0.31 0.00 0.00 175.10 174.55 2krb s ILE 18 N -3.86 0.96 0.01 -0.62 -4.36 0.33 -4.81 121.20 108.86 2krb s ILE 18 Ca 0.26 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2krb s ILE 18 Cb 0.07 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.49 2krb s ILE 18 CO 0.04 -0.49 -0.04 -0.69 0.24 0.00 0.00 174.94 174.01 2krb s VAL 19 N -2.18 0.26 0.19 8.37 1.01 0.54 -1.87 120.40 126.73 2krb s VAL 19 Ca 0.04 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.58 2krb s VAL 19 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2krb s VAL 19 CO 0.01 -0.18 -0.20 0.68 0.00 0.00 0.00 175.10 175.41 2krb s VAL 20 N -0.70 2.06 0.30 2.92 -7.23 -1.19 -0.90 120.40 115.66 2krb s VAL 20 Ca -0.06 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 2krb s VAL 20 Cb -0.05 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 2krb s VAL 20 CO -0.00 -0.29 0.07 -0.62 -0.31 0.00 0.00 175.10 173.94 2krb s ASP 21 N -2.85 1.96 -1.46 4.85 -1.08 -1.12 -3.20 116.67 113.77 2krb s ASP 21 Ca 0.20 -1.37 -0.05 0.00 -0.52 0.00 0.00 52.55 50.81 2krb s ASP 21 Cb -0.06 0.00 0.02 0.00 -1.46 0.00 0.00 42.92 41.42 2krb s ASP 21 CO 0.09 -0.64 0.43 0.59 0.52 0.00 0.00 175.17 176.16 2krb n ASN 22 N -0.60 -5.21 -4.29 -0.34 3.02 -0.94 -3.55 115.26 103.36 2krb n ASN 22 Ca -0.02 -0.22 -0.43 0.00 -0.03 0.00 0.00 54.58 53.88 2krb n ASN 22 Cb 0.66 -4.26 -0.02 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.03 5.64 0.56 2.41 0.11 -0.45 -4.81 120.40 120.82 2krb s VAL 23 Ca 0.26 -3.43 -0.20 0.00 -2.93 0.00 0.00 61.98 55.68 2krb s VAL 23 Cb -0.12 -4.41 -0.05 0.00 -1.53 0.00 0.00 36.38 30.27 2krb s VAL 23 CO 0.32 -1.15 1.19 -2.16 -3.33 0.00 0.00 175.10 169.97 2krb s PRO 24 N -1.16 3.19 0.90 1.54 0.04 -1.25 -3.33 135.00 134.92 2krb s PRO 24 Ca 0.29 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2krb s PRO 24 Cb -0.10 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2krb s PRO 24 CO -0.09 -1.03 1.09 -1.14 0.04 0.00 0.00 177.00 175.88 2krb s GLN 25 N -3.20 1.23 0.18 4.56 0.74 -1.22 -4.95 119.66 117.00 2krb s GLN 25 Ca 0.74 0.99 0.01 0.00 0.05 0.00 0.00 55.36 57.15 2krb s GLN 25 Cb -0.29 -1.79 -0.05 0.00 1.10 0.00 0.00 33.01 31.98 2krb s GLN 25 CO 0.33 -2.31 0.03 0.14 -0.55 0.00 0.00 175.29 172.93 2krb s VAL 26 N -2.85 0.53 0.30 1.34 -7.23 -1.26 -4.99 120.40 106.24 2krb s VAL 26 Ca 0.64 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2krb s VAL 26 Cb -0.19 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.61 2krb s VAL 26 CO 0.58 -0.37 0.31 0.61 -0.31 0.00 0.00 175.10 175.91 2krb n GLY 27 N -0.26 -2.06 3.51 2.32 0.00 -1.26 -4.50 105.19 102.94 2krb n GLY 27 Ca -0.05 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.68 -0.83 0.00 1.61 0.04 -1.26 -1.80 135.00 129.07 2krb s PRO 28 Ca 0.19 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2krb s PRO 28 Cb -0.01 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2krb s PRO 28 CO 0.14 -3.64 0.00 -0.25 0.04 0.00 0.00 177.00 173.29 2krb n ASP 29 N -4.85 -5.02 0.00 6.66 8.00 -1.26 -4.47 116.55 115.61 2krb n ASP 29 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2krb n ASP 29 Cb 0.55 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 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 0.48 0.15 -0.22 -1.24 0.63 -1.23 -4.93 116.66 110.31 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 0.42 -0.29 0.60 0.00 0.45 0.00 0.00 32.46 33.64 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 0.23 -0.12 6.15 -0.00 -1.58 -1.32 115.31 118.67 2krb h LEU 31 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 2krb h LEU 31 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.08 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.12 2krb h GLU 32 N 0.23 0.27 -0.95 0.17 4.39 -1.91 -2.92 114.58 113.85 2krb h GLU 32 Ca 0.46 -0.12 0.23 0.00 0.34 0.00 0.00 59.36 60.26 2krb h GLU 32 Cb 1.43 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.00 2krb h GLU 32 CO -0.11 0.62 0.63 0.87 -1.16 0.00 0.00 179.01 179.85 2krb h LYS 33 N -0.09 0.36 -0.33 2.33 6.56 -1.61 0.21 116.57 124.01 2krb h LYS 33 Ca 0.03 -0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.67 2krb h LYS 33 Cb 0.54 -0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.05 2krb h LYS 33 CO 0.02 0.24 -0.15 1.25 -2.06 0.00 0.00 179.45 178.75 2krb h LEU 34 N 0.37 -0.51 0.05 2.94 5.85 -1.28 0.32 115.31 123.05 2krb h LEU 34 Ca 0.50 0.12 -0.26 0.00 0.84 0.00 0.00 57.88 59.08 2krb h LEU 34 Cb 1.32 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2krb h LEU 34 CO -0.19 -0.19 -1.33 0.50 -0.34 0.00 0.00 178.44 176.89 2krb h LYS 35 N -0.10 0.10 0.71 1.25 3.11 -1.58 -3.34 116.57 116.73 2krb h LYS 35 Ca 0.17 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 2krb h LYS 35 Cb 0.35 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.65 2krb h LYS 35 CO -0.39 0.96 -0.34 -0.91 -2.81 0.00 0.00 179.45 175.95 2krb h ASN 36 N 0.03 -0.81 -0.92 4.20 2.35 -0.59 -2.69 115.58 117.15 2krb h ASN 36 Ca -0.15 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 55.76 2krb h ASN 36 Cb 1.91 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 40.42 2krb h ASN 36 CO 0.14 -0.55 0.59 -0.37 -1.65 0.00 0.00 177.43 175.59 2krb h VAL 37 N -0.99 0.84 -0.65 2.81 -1.51 -0.57 0.21 116.25 116.39 2krb h VAL 37 Ca -0.10 -0.26 0.10 0.00 -1.23 0.00 0.00 66.70 65.21 2krb h VAL 37 Cb 0.74 0.02 -0.08 0.00 -2.13 0.00 0.00 31.29 29.84 2krb h VAL 37 CO 0.16 0.14 0.25 0.40 -1.23 0.00 0.00 177.57 177.29 2krb h ILE 38 N 0.76 0.76 -0.63 7.19 5.03 -1.65 0.21 117.51 129.18 2krb h ILE 38 Ca 0.47 -0.15 -0.08 0.00 -0.12 0.00 0.00 64.86 64.97 2krb h ILE 38 Cb 0.69 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 2krb h ILE 38 CO -0.23 0.08 0.07 0.45 -0.68 0.00 0.00 178.15 177.84 2krb h HIS 39 N 0.44 1.14 -0.00 1.37 3.86 -0.26 -2.83 115.15 118.86 2krb h HIS 39 Ca 0.33 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 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 -0.16 0.98 -0.04 0.87 0.86 0.00 0.00 177.93 180.44 2krb h LYS 40 N 0.98 0.04 -0.80 2.45 6.56 -0.87 -2.97 116.57 121.96 2krb h LYS 40 Ca 0.19 -0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.84 2krb h LYS 40 Cb 0.48 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.07 2krb h LYS 40 CO 0.02 0.74 0.45 0.97 -2.06 0.00 0.00 179.45 179.57 2krb h ILE 41 N -0.66 0.91 -0.00 1.86 -0.00 -0.68 -0.92 117.51 118.02 2krb h ILE 41 Ca -0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.59 2krb h ILE 41 Cb 0.75 0.08 0.00 0.00 -0.00 0.00 0.00 36.82 37.65 2krb h ILE 41 CO 0.01 0.14 -0.03 0.49 -0.00 0.00 0.00 178.15 178.75 2krb n PHE 42 N -4.76 0.00 0.18 2.19 3.72 -1.07 -3.83 117.46 113.90 2krb n PHE 42 Ca 0.13 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.59 2krb n PHE 42 Cb 0.27 -0.09 0.28 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.60 0.00 0.61 4.37 0.87 -0.98 -2.96 113.55 116.05 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 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2krb h SER 43 CO 0.00 0.37 0.00 0.07 -0.53 0.00 0.00 176.83 176.74 2krb h LYS 44 N 0.00 0.00 0.00 2.24 2.10 -1.70 -2.98 116.57 116.23 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 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2krb h LYS 44 CO 0.05 0.00 -1.15 1.19 -2.00 0.00 0.00 179.45 177.54 2krb n PHE 45 N -2.88 0.00 0.00 0.07 3.72 -1.12 -5.09 117.46 112.15 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 0.21 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.29 2.94 1.37 0.00 -1.13 -4.80 105.19 104.72 2krb n GLY 46 Ca 0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 1.24 -0.01 1.61 2.47 -1.26 -4.24 119.74 117.55 2krb s LYS 47 Ca 0.00 -0.23 -0.26 0.00 -1.56 0.00 0.00 55.97 53.92 2krb s LYS 47 Cb 0.00 -1.15 -0.04 0.00 -1.46 0.00 0.00 37.83 35.18 2krb s LYS 47 CO 0.00 -0.07 0.80 0.42 0.16 0.00 0.00 175.35 176.66 2krb s ILE 48 N 0.94 4.90 -0.20 5.43 1.09 -1.26 -4.34 121.20 127.75 2krb s ILE 48 Ca -0.10 1.68 0.15 0.00 -1.10 0.00 0.00 60.65 61.27 2krb s ILE 48 Cb -0.15 -4.14 -0.23 0.00 -1.06 0.00 0.00 42.46 36.88 2krb s ILE 48 CO 0.01 0.26 0.02 1.07 -0.10 0.00 0.00 174.94 176.19 2krb n THR 49 N 3.52 1.35 -3.98 2.92 5.66 -1.22 -5.02 114.28 117.52 2krb n THR 49 Ca 0.00 -0.78 -0.22 0.00 -3.05 0.00 0.00 64.05 60.01 2krb n THR 49 Cb 0.51 -0.64 -0.05 0.00 -1.55 0.00 0.00 70.33 68.60 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 -5.57 5.10 -0.30 1.09 0.01 -0.86 -5.03 114.94 109.37 2krb s ASN 50 Ca -0.14 -0.54 -0.13 0.00 -0.71 0.00 0.00 52.86 51.33 2krb s ASN 50 Cb 0.06 -0.97 0.17 0.00 0.41 0.00 0.00 41.25 40.93 2krb s ASN 50 CO 0.76 -0.25 0.97 1.51 -1.51 0.00 0.00 177.10 178.58 2krb s ASP 51 N -3.90 -0.61 -0.06 -1.22 1.47 -1.26 -4.03 116.67 107.06 2krb s ASP 51 Ca 0.38 0.67 0.01 0.00 1.18 0.00 0.00 52.55 54.79 2krb s ASP 51 Cb -0.05 1.63 0.02 0.00 -0.34 0.00 0.00 42.92 44.18 2krb s ASP 51 CO 0.25 -0.12 -0.05 -0.36 0.68 0.00 0.00 175.17 175.57 2krb s PHE 52 N 2.61 0.95 -0.60 2.11 0.08 0.31 -5.03 117.98 118.41 2krb s PHE 52 Ca -0.00 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.76 2krb s PHE 52 Cb -0.08 -0.84 0.15 0.00 -0.57 0.00 0.00 43.02 41.68 2krb s PHE 52 CO -0.16 -0.28 0.37 0.71 -0.10 0.00 0.00 175.22 175.76 2krb s TYR 53 N 1.18 3.36 1.14 0.36 1.51 -1.26 -1.22 117.35 122.41 2krb s TYR 53 Ca -0.06 -3.22 -0.17 0.00 -1.01 0.00 0.00 57.07 52.61 2krb s TYR 53 Cb -0.14 -2.80 0.25 0.00 -0.11 0.00 0.00 41.96 39.16 2krb s TYR 53 CO -0.01 -0.67 1.10 -1.25 -1.11 0.00 0.00 175.55 173.61 2krb s PRO 54 N -0.76 -0.68 0.25 -1.71 0.04 -1.26 -5.10 135.00 125.78 2krb s PRO 54 Ca 0.20 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.35 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 -0.07 -3.40 0.33 -1.21 0.04 0.00 0.00 177.00 172.69 2krb s GLU 55 N -5.22 1.50 -0.30 4.56 2.02 -1.26 -4.59 118.70 115.41 2krb s GLU 55 Ca 0.69 -1.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 2krb s GLU 55 Cb -0.13 0.38 0.04 0.00 0.10 0.00 0.00 34.13 34.52 2krb s GLU 55 CO 0.57 -0.57 0.01 -1.83 0.02 0.00 0.00 175.26 173.46 2krb s GLU 56 N -3.84 2.54 -1.55 1.61 -1.05 -1.17 -4.74 118.70 110.50 2krb s GLU 56 Ca 0.32 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2krb s GLU 56 Cb 0.03 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 2krb s GLU 56 CO 0.14 -0.59 0.00 -0.25 0.95 0.00 0.00 175.26 175.51 2krb n ASP 57 N 4.67 -4.01 0.00 0.83 8.00 -1.26 -0.09 116.55 124.69 2krb n ASP 57 Ca -0.14 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2krb n ASP 57 Cb 0.44 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -0.35 0.60 3.77 0.44 0.00 -1.26 -5.08 105.19 103.31 2krb n GLY 58 Ca -0.15 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.06 2.18 -0.25 1.61 -0.14 0.87 -5.08 119.74 117.86 2krb s LYS 59 Ca 0.00 -2.22 -0.37 0.00 -1.36 0.00 0.00 55.97 52.01 2krb s LYS 59 Cb 0.00 -1.71 -0.13 0.00 -1.68 0.00 0.00 37.83 34.30 2krb s LYS 59 CO 0.00 -0.34 1.90 0.25 -0.76 0.00 0.00 175.35 176.40 2krb n THR 60 N -1.32 0.35 -1.08 2.17 -2.24 -1.26 -3.05 114.28 107.84 2krb n THR 60 Ca -0.12 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 2krb n THR 60 Cb 0.66 -1.50 0.24 0.00 -2.10 0.00 0.00 70.33 67.62 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 4.42 -1.16 0.00 -0.78 -2.85 -1.26 -4.56 119.74 113.54 2krb s LYS 61 Ca 1.00 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.93 2krb s LYS 61 Cb -0.92 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 2krb s LYS 61 CO 0.58 -3.68 0.02 0.41 0.10 0.00 0.00 175.35 172.78 2krb n GLY 62 N -0.94 0.89 3.19 0.59 0.00 -1.21 -3.37 105.19 104.33 2krb n GLY 62 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.01 0.05 0.16 1.61 5.04 -1.26 -1.35 117.35 121.60 2krb s TYR 63 Ca 0.00 -0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2krb s TYR 63 Cb 0.00 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.25 2krb s TYR 63 CO 0.00 -0.44 0.07 0.96 -1.34 0.00 0.00 175.55 174.79 2krb s ILE 64 N -2.68 0.18 -0.05 3.14 -5.25 -1.19 -4.36 121.20 110.99 2krb s ILE 64 Ca -0.04 -1.94 0.00 0.00 -0.99 0.00 0.00 60.65 57.68 2krb s ILE 64 Cb -0.01 -2.18 0.02 0.00 2.95 0.00 0.00 42.46 43.25 2krb s ILE 64 CO -0.04 -0.35 -0.02 0.12 -1.79 0.00 0.00 174.94 172.86 2krb s PHE 65 N -4.00 0.63 -0.01 1.37 5.36 -0.36 -3.16 117.98 117.81 2krb s PHE 65 Ca 0.28 -0.15 0.04 0.00 -0.96 0.00 0.00 56.93 56.13 2krb s PHE 65 Cb 0.07 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 2krb s PHE 65 CO 0.05 -0.22 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.96 2krb s LEU 66 N 1.24 2.00 -0.10 6.12 1.02 -0.78 -0.53 118.68 127.65 2krb s LEU 66 Ca -0.06 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.88 2krb s LEU 66 Cb -0.14 -0.64 0.02 0.00 0.02 0.00 0.00 46.19 45.45 2krb s LEU 66 CO -0.02 0.14 -0.13 -0.70 0.02 0.00 0.00 176.35 175.67 2krb s GLU 67 N -0.23 1.90 0.68 1.70 2.12 -1.26 -0.52 118.70 123.09 2krb s GLU 67 Ca 0.04 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.86 2krb s GLU 67 Cb -0.05 -1.66 0.05 0.00 0.26 0.00 0.00 34.13 32.72 2krb s GLU 67 CO -0.00 -0.08 0.98 0.71 -0.54 0.00 0.00 175.26 176.33 2krb s TYR 68 N 1.03 2.96 -1.40 5.30 2.02 -0.96 -2.02 117.35 124.27 2krb s TYR 68 Ca -0.07 0.44 0.26 0.00 -0.37 0.00 0.00 57.07 57.34 2krb s TYR 68 Cb -0.15 -3.10 1.32 0.00 -0.40 0.00 0.00 41.96 39.64 2krb s TYR 68 CO -0.01 -1.29 1.90 0.00 -1.57 0.00 0.00 175.55 174.57 2krb n ALA 69 N -2.83 2.32 -3.18 3.71 0.00 -1.26 -4.88 120.51 114.39 2krb n ALA 69 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 2krb n ALA 69 Cb 0.60 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.60 -0.33 0.05 0.00 0.01 -1.26 -5.08 113.70 104.49 2krb s SER 70 Ca 0.24 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.26 2krb s SER 70 Cb 0.18 0.46 -0.14 0.00 0.21 0.00 0.00 66.02 66.73 2krb s SER 70 CO 0.41 -0.74 1.51 1.55 0.41 0.00 0.00 173.24 176.38 2krb h PRO 71 N 2.75 0.15 0.00 12.44 0.13 -1.87 -2.96 132.00 142.63 2krb h PRO 71 Ca -0.32 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2krb h PRO 71 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2krb h PRO 71 CO 0.43 0.37 0.31 0.00 -0.23 0.00 0.00 178.00 178.88 2krb h ALA 72 N 0.77 1.28 0.03 -0.56 0.00 -1.98 -0.15 119.26 118.65 2krb h ALA 72 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2krb h ALA 72 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2krb h ALA 72 CO 0.00 -0.28 -0.92 0.45 0.00 0.00 0.00 179.25 178.50 2krb h HIS 73 N 0.00 0.12 0.38 0.00 3.86 -1.83 -3.27 115.15 114.40 2krb h HIS 73 Ca 0.00 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2krb h HIS 73 Cb 0.61 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2krb h HIS 73 CO 0.00 1.36 -0.18 0.00 0.86 0.00 0.00 177.93 179.97 2krb h ALA 74 N -0.22 -0.51 -0.22 2.45 0.00 -1.28 0.48 119.26 119.97 2krb h ALA 74 Ca -0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2krb h ALA 74 Cb 1.34 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2krb h ALA 74 CO -0.07 -0.68 0.14 -0.39 0.00 0.00 0.00 179.25 178.25 2krb h VAL 75 N -0.72 1.02 0.26 0.00 -1.51 -1.28 -1.24 116.25 112.79 2krb h VAL 75 Ca -0.05 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 2krb h VAL 75 Cb 0.50 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2krb h VAL 75 CO 0.08 0.04 -0.13 -0.78 -1.23 0.00 0.00 177.57 175.56 2krb h ASP 76 N 0.23 -0.30 -0.79 4.19 3.58 -1.61 -3.24 116.42 118.48 2krb h ASP 76 Ca 0.09 -0.14 0.16 0.00 0.42 0.00 0.00 57.03 57.56 2krb h ASP 76 Cb 0.06 0.08 -0.11 0.00 1.72 0.00 0.00 39.33 41.08 2krb h ASP 76 CO -0.02 0.20 0.31 0.00 -2.88 0.00 0.00 179.24 176.85 2krb h ALA 77 N -0.78 1.15 -0.73 -0.78 0.00 -0.40 0.07 119.26 117.78 2krb h ALA 77 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2krb h ALA 77 Cb 0.43 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2krb h ALA 77 CO 0.06 -0.26 0.45 0.28 0.00 0.00 0.00 179.25 179.79 2krb h VAL 78 N 0.41 1.09 -0.01 0.00 2.07 -1.40 0.97 116.25 119.39 2krb h VAL 78 Ca 0.45 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2krb h VAL 78 Cb 0.75 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2krb h VAL 78 CO -0.45 0.16 -0.01 1.17 0.02 0.00 0.00 177.57 178.46 2krb n LYS 79 N -4.65 1.20 -0.04 1.57 0.00 -0.14 -3.41 118.16 112.69 2krb n LYS 79 Ca 0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 58.31 57.95 2krb n LYS 79 Cb 0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.60 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 -0.58 2.08 -1.49 3.14 3.02 -0.34 -4.74 115.26 116.35 2krb n ASN 80 Ca 0.21 0.03 0.06 0.00 -0.03 0.00 0.00 54.58 54.84 2krb n ASN 80 Cb 0.21 -0.18 0.30 0.00 -0.61 0.00 0.00 39.78 39.50 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 -3.04 3.41 -1.51 5.41 0.00 0.30 -4.91 120.51 120.18 2krb n ALA 81 Ca -0.15 -1.38 -0.13 0.00 0.00 0.00 0.00 53.44 51.78 2krb n ALA 81 Cb 0.64 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 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 0.55 0.96 0.00 0.00 2.03 -1.22 -4.06 116.55 114.82 2krb n ASP 82 Ca 0.21 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.51 2krb n ASP 82 Cb 0.91 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 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 0.26 3.77 0.27 0.00 -1.25 -4.90 105.19 109.45 2krb n GLY 83 Ca 0.40 -0.70 -0.39 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 2.82 -0.55 1.61 2.02 -1.26 -4.81 117.35 117.19 2krb s TYR 84 Ca 0.00 1.44 -0.03 0.00 -0.37 0.00 0.00 57.07 58.11 2krb s TYR 84 Cb 0.00 -3.61 0.15 0.00 -0.40 0.00 0.00 41.96 38.11 2krb s TYR 84 CO 0.00 -1.97 2.52 0.36 -1.57 0.00 0.00 175.55 174.89 2krb n LYS 85 N -0.03 2.46 0.20 -0.62 0.00 -1.26 -4.41 118.16 114.51 2krb n LYS 85 Ca 0.05 -2.63 0.11 0.00 -0.00 0.00 0.00 58.31 55.83 2krb n LYS 85 Cb 0.45 -2.15 0.65 0.00 -0.00 0.00 0.00 35.03 33.98 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 3.56 0.00 -2.45 -5.58 7.12 -1.97 -3.48 115.31 112.51 2krb h LEU 86 Ca 0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.45 2krb h LEU 86 Cb 0.56 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2krb h LEU 86 CO 1.03 0.00 -0.70 -0.67 -0.13 0.00 0.00 178.44 177.98 2krb n ASP 87 N -4.50 -4.87 0.00 1.25 2.03 -1.26 -5.09 116.55 104.11 2krb n ASP 87 Ca -0.00 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.20 2krb n ASP 87 Cb 0.20 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 2krb n ASP 87 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2krb n LYS 88 N 0.56 0.00 0.01 -0.67 4.76 -1.26 -5.12 118.16 116.45 2krb n LYS 88 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2krb n LYS 88 Cb 0.08 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 2krb n LYS 88 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2krb n GLN 89 N -1.24 0.00 -4.78 1.97 3.00 -1.26 -5.13 117.38 109.93 2krb n GLN 89 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2krb n GLN 89 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.10 2krb n GLN 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2krb s HIS 90 N -1.09 2.42 0.87 1.08 3.76 -1.26 -5.15 115.29 115.93 2krb s HIS 90 Ca 0.00 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 2krb s HIS 90 Cb 0.00 -1.42 0.11 0.00 1.11 0.00 0.00 32.58 32.39 2krb s HIS 90 CO 0.00 0.19 1.11 0.99 -0.85 0.00 0.00 174.74 176.17 2krb s THR 91 N -0.86 2.59 0.63 1.30 2.01 -1.26 -5.00 115.64 115.04 2krb s THR 91 Ca 0.13 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2krb s THR 91 Cb -0.10 -2.86 0.07 0.00 0.01 0.00 0.00 72.50 69.62 2krb s THR 91 CO 0.03 -0.25 0.89 -0.36 -0.69 0.00 0.00 174.62 174.24 2krb s PHE 92 N -3.12 2.52 -0.30 4.92 0.40 -1.26 -4.86 117.98 116.27 2krb s PHE 92 Ca 0.63 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.94 2krb s PHE 92 Cb -0.16 -2.93 0.11 0.00 0.51 0.00 0.00 43.02 40.55 2krb s PHE 92 CO 0.55 -1.23 0.14 1.03 0.70 0.00 0.00 175.22 176.41 2krb s ARG 93 N -4.98 0.34 -0.25 0.44 1.81 -1.23 -3.95 118.95 111.12 2krb s ARG 93 Ca 0.60 -0.74 -0.22 0.00 -1.72 0.00 0.00 55.73 53.66 2krb s ARG 93 Cb -0.09 -1.33 -0.01 0.00 -0.45 0.00 0.00 34.95 33.07 2krb s ARG 93 CO 0.41 -1.04 0.71 0.08 -0.68 0.00 0.00 175.30 174.79 2krb s VAL 94 N 1.87 4.92 0.00 3.52 1.01 -1.26 -2.79 120.40 127.66 2krb s VAL 94 Ca 0.10 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2krb s VAL 94 Cb -0.17 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2krb s VAL 94 CO -0.30 -0.03 0.02 0.59 0.00 0.00 0.00 175.10 175.38