#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 1.97 -4.07 -2.24 7.64 -1.26 -4.24 113.62 111.42 2krb n SER 16 Ca 0.00 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.94 2krb n SER 16 Cb 0.00 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.86 0.10 0.06 0.44 -7.23 -1.26 -3.13 120.40 108.52 2krb s VAL 17 Ca 0.03 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2krb s VAL 17 Cb 0.02 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2krb s VAL 17 CO 0.02 -0.47 -0.15 0.27 -0.31 0.00 0.00 175.10 174.46 2krb s ILE 18 N -4.00 1.20 -0.02 -0.62 -4.36 0.01 -4.84 121.20 108.57 2krb s ILE 18 Ca 0.20 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2krb s ILE 18 Cb 0.06 -1.12 0.00 0.00 1.25 0.00 0.00 42.46 42.66 2krb s ILE 18 CO -0.00 -0.12 -0.07 -0.69 0.24 0.00 0.00 174.94 174.30 2krb s VAL 19 N -1.10 0.60 0.16 8.37 1.01 0.24 -1.86 120.40 127.82 2krb s VAL 19 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2krb s VAL 19 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2krb s VAL 19 CO 0.02 0.19 0.03 0.68 0.00 0.00 0.00 175.10 176.02 2krb s VAL 20 N 0.12 3.90 0.15 2.92 -7.23 -1.16 -0.78 120.40 118.32 2krb s VAL 20 Ca -0.01 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2krb s VAL 20 Cb -0.06 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 2krb s VAL 20 CO -0.00 -0.09 -0.12 -0.62 -0.31 0.00 0.00 175.10 173.96 2krb s ASP 21 N -2.91 2.03 -1.25 4.85 2.15 -0.36 -3.55 116.67 117.64 2krb s ASP 21 Ca 0.28 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 52.22 2krb s ASP 21 Cb -0.10 -0.06 0.01 0.00 -0.30 0.00 0.00 42.92 42.48 2krb s ASP 21 CO 0.19 -0.24 1.09 -3.20 -0.17 0.00 0.00 175.17 172.85 2krb n ASN 22 N -0.02 -6.02 -4.34 -0.34 5.15 -0.88 -1.77 115.26 107.03 2krb n ASN 22 Ca -0.11 -0.50 -0.46 0.00 -0.60 0.00 0.00 54.58 52.91 2krb n ASN 22 Cb 0.59 -4.68 -0.01 0.00 -0.53 0.00 0.00 39.78 35.16 2krb n ASN 22 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2krb s VAL 23 N -3.30 5.87 0.35 3.44 -7.23 -0.34 -4.65 120.40 114.55 2krb s VAL 23 Ca 0.54 -3.12 -0.28 0.00 -1.81 0.00 0.00 61.98 57.31 2krb s VAL 23 Cb -0.24 -4.57 -0.10 0.00 0.56 0.00 0.00 36.38 32.03 2krb s VAL 23 CO 0.67 -1.15 1.35 -2.16 -0.31 0.00 0.00 175.10 173.51 2krb s PRO 24 N -0.78 4.27 1.27 4.82 0.04 -1.26 -3.61 135.00 139.75 2krb s PRO 24 Ca 0.27 2.30 -0.20 0.00 0.04 0.00 0.00 61.00 63.42 2krb s PRO 24 Cb -0.10 -3.03 0.31 0.00 0.04 0.00 0.00 34.50 31.72 2krb s PRO 24 CO -0.08 -0.29 1.05 1.14 0.04 0.00 0.00 177.00 178.85 2krb s GLN 25 N -1.90 -1.72 0.14 4.56 1.03 -1.21 -5.01 119.66 115.57 2krb s GLN 25 Ca 0.50 0.06 0.02 0.00 0.04 0.00 0.00 55.36 55.98 2krb s GLN 25 Cb -0.41 -1.53 -0.04 0.00 0.03 0.00 0.00 33.01 31.06 2krb s GLN 25 CO 0.55 -4.06 -0.02 0.14 -2.54 0.00 0.00 175.29 169.36 2krb s VAL 26 N -2.74 0.65 0.55 3.63 -7.23 -1.26 -5.06 120.40 108.95 2krb s VAL 26 Ca 0.70 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 2krb s VAL 26 Cb -0.12 -1.95 0.14 0.00 0.56 0.00 0.00 36.38 35.01 2krb s VAL 26 CO 0.57 -0.63 0.43 0.61 -0.31 0.00 0.00 175.10 175.78 2krb n GLY 27 N -0.16 -3.00 3.60 2.32 0.00 -1.26 -4.30 105.19 102.39 2krb n GLY 27 Ca -0.09 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 0.14 -0.34 1.61 0.04 -1.26 -1.61 135.00 129.59 2krb s PRO 28 Ca 0.29 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2krb s PRO 28 Cb -0.04 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2krb s PRO 28 CO 0.23 -3.05 0.00 -3.47 0.04 0.00 0.00 177.00 170.76 2krb n ASP 29 N -4.46 -5.58 0.00 6.66 -0.08 -1.26 -4.53 116.55 107.30 2krb n ASP 29 Ca 0.06 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2krb n ASP 29 Cb 0.54 -3.36 0.00 0.00 2.34 0.00 0.00 41.12 40.64 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2krb n ARG 30 N 0.02 0.88 -0.21 -0.67 0.63 -1.21 -4.95 116.66 111.15 2krb n ARG 30 Ca -0.03 0.00 0.23 0.00 -0.92 0.00 0.00 57.85 57.13 2krb n ARG 30 Cb 0.47 -0.21 0.60 0.00 0.45 0.00 0.00 32.46 33.77 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 -0.04 6.15 -0.00 -1.49 -1.43 115.31 118.73 2krb h LEU 31 Ca 0.00 0.03 -0.01 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 0.00 178.44 178.19 2krb h GLU 32 N 0.23 0.08 -1.02 0.17 4.39 -1.92 -2.84 114.58 113.66 2krb h GLU 32 Ca 0.45 -0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.39 2krb h GLU 32 Cb 1.39 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.96 2krb h GLU 32 CO -0.11 0.40 0.69 0.87 -1.16 0.00 0.00 179.01 179.70 2krb h LYS 33 N -0.25 0.27 0.03 2.33 6.56 -1.64 -0.26 116.57 123.62 2krb h LYS 33 Ca 0.01 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2krb h LYS 33 Cb 0.37 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.94 2krb h LYS 33 CO 0.00 0.18 -0.35 1.25 -2.06 0.00 0.00 179.45 178.47 2krb h LEU 34 N 0.28 -1.07 -0.64 2.94 7.12 -1.24 0.29 115.31 122.97 2krb h LEU 34 Ca 0.54 0.12 -0.13 0.00 0.13 0.00 0.00 57.88 58.54 2krb h LEU 34 Cb 1.61 0.40 -0.02 0.00 -0.53 0.00 0.00 40.66 42.12 2krb h LEU 34 CO -0.19 -0.35 -0.62 0.50 -0.13 0.00 0.00 178.44 177.65 2krb h LYS 35 N -0.46 0.00 0.59 1.25 3.11 -1.61 -3.25 116.57 116.19 2krb h LYS 35 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 2krb h LYS 35 Cb 0.48 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2krb h LYS 35 CO -0.22 0.62 -0.28 -0.91 -2.81 0.00 0.00 179.45 175.85 2krb h ASN 36 N 0.00 -0.67 -0.71 4.20 -0.26 -0.69 -3.14 115.58 114.31 2krb h ASN 36 Ca -0.01 -0.02 0.11 0.00 -0.56 0.00 0.00 56.30 55.82 2krb h ASN 36 Cb 1.17 0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 38.56 2krb h ASN 36 CO 0.08 -0.39 0.47 -0.37 -1.06 0.00 0.00 177.43 176.17 2krb h VAL 37 N -0.93 0.88 -0.68 2.81 -1.51 -0.54 0.10 116.25 116.38 2krb h VAL 37 Ca -0.08 -0.18 0.14 0.00 -1.23 0.00 0.00 66.70 65.36 2krb h VAL 37 Cb 0.65 0.32 -0.11 0.00 -2.13 0.00 0.00 31.29 30.02 2krb h VAL 37 CO 0.13 0.09 0.10 0.40 -1.23 0.00 0.00 177.57 177.06 2krb h ILE 38 N 0.52 0.51 0.00 7.19 5.03 -1.57 0.11 117.51 129.29 2krb h ILE 38 Ca 0.34 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 65.01 2krb h ILE 38 Cb 0.61 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.69 2krb h ILE 38 CO -0.11 0.04 0.00 0.45 -0.68 0.00 0.00 178.15 177.84 2krb h HIS 39 N 0.20 0.00 0.00 1.37 3.86 -0.95 -2.43 115.15 117.20 2krb h HIS 39 Ca 0.37 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.30 2krb h HIS 39 Cb 0.61 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2krb h HIS 39 CO -0.31 0.00 -1.64 1.63 0.86 0.00 0.00 177.93 178.47 2krb n LYS 40 N -2.57 0.56 -0.25 2.45 4.01 -0.13 -3.21 118.16 119.02 2krb n LYS 40 Ca 0.01 0.44 0.08 0.00 -0.51 0.00 0.00 58.31 58.33 2krb n LYS 40 Cb 0.23 -1.63 0.33 0.00 -0.51 0.00 0.00 35.03 33.45 2krb n LYS 40 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 2krb h ILE 41 N -1.00 0.96 -0.02 -0.18 -0.00 -0.90 -1.06 117.51 115.31 2krb h ILE 41 Ca -0.43 -0.27 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 2krb h ILE 41 Cb 1.33 0.09 0.00 0.00 -0.00 0.00 0.00 36.82 38.24 2krb h ILE 41 CO -0.26 0.15 -0.05 0.49 -0.00 0.00 0.00 178.15 178.48 2krb n PHE 42 N -4.52 0.00 0.16 2.19 3.72 -0.92 -4.11 117.46 113.98 2krb n PHE 42 Ca 0.14 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.57 2krb n PHE 42 Cb 0.32 -0.02 0.21 0.00 -0.94 0.00 0.00 39.48 39.05 2krb n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2krb h SER 43 N 2.38 0.00 0.60 4.37 0.02 -1.15 -3.13 113.55 116.63 2krb h SER 43 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2krb h SER 43 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2krb h SER 43 CO 0.00 0.50 -0.07 0.07 -1.14 0.00 0.00 176.83 176.19 2krb h LYS 44 N 0.00 0.00 0.00 3.45 2.10 -1.71 -2.90 116.57 117.50 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 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2krb h LYS 44 CO 0.07 0.07 -0.96 1.19 -2.00 0.00 0.00 179.45 177.81 2krb n PHE 45 N -3.31 0.14 -0.48 0.07 3.72 -1.18 -5.08 117.46 111.34 2krb n PHE 45 Ca -0.01 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2krb n PHE 45 Cb 0.25 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.42 0.08 3.02 1.37 0.00 -1.10 -4.81 105.19 105.17 2krb n GLY 46 Ca 0.03 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 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 2.05 0.03 1.61 2.47 -1.26 -4.14 119.74 118.50 2krb s LYS 47 Ca 0.00 -0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 53.62 2krb s LYS 47 Cb 0.00 -1.83 -0.05 0.00 -1.46 0.00 0.00 37.83 34.50 2krb s LYS 47 CO 0.00 -0.13 1.12 0.42 0.16 0.00 0.00 175.35 176.92 2krb s ILE 48 N 1.21 4.35 -0.19 5.43 1.09 -1.26 -4.29 121.20 127.53 2krb s ILE 48 Ca -0.03 1.69 0.17 0.00 -1.10 0.00 0.00 60.65 61.37 2krb s ILE 48 Cb -0.14 -4.08 -0.24 0.00 -1.06 0.00 0.00 42.46 36.94 2krb s ILE 48 CO -0.04 0.12 0.05 1.07 -0.10 0.00 0.00 174.94 176.04 2krb n THR 49 N 3.96 1.34 -4.10 2.92 5.66 -1.17 -5.01 114.28 117.87 2krb n THR 49 Ca 0.08 -0.81 -0.22 0.00 -3.05 0.00 0.00 64.05 60.04 2krb n THR 49 Cb 0.48 -0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 68.68 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 -5.44 4.92 -0.29 1.09 0.01 -0.93 -5.05 114.94 109.25 2krb s ASN 50 Ca -0.11 -0.59 -0.15 0.00 -0.71 0.00 0.00 52.86 51.31 2krb s ASN 50 Cb 0.06 -0.94 0.13 0.00 0.41 0.00 0.00 41.25 40.91 2krb s ASN 50 CO 0.78 -0.18 0.85 1.51 -1.51 0.00 0.00 177.10 178.56 2krb s ASP 51 N -3.83 -0.75 -0.05 -1.22 1.47 -1.26 -4.03 116.67 107.00 2krb s ASP 51 Ca 0.36 1.12 -0.01 0.00 1.18 0.00 0.00 52.55 55.20 2krb s ASP 51 Cb -0.05 1.57 0.03 0.00 -0.34 0.00 0.00 42.92 44.13 2krb s ASP 51 CO 0.23 -0.17 0.01 -0.36 0.68 0.00 0.00 175.17 175.56 2krb s PHE 52 N 1.98 0.47 -0.60 2.11 0.40 0.10 -5.03 117.98 117.42 2krb s PHE 52 Ca -0.07 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2krb s PHE 52 Cb -0.06 -0.64 0.15 0.00 0.51 0.00 0.00 43.02 42.97 2krb s PHE 52 CO -0.17 -0.25 0.36 0.71 0.70 0.00 0.00 175.22 176.57 2krb s TYR 53 N 1.72 3.35 1.02 0.36 1.51 -1.26 -1.28 117.35 122.77 2krb s TYR 53 Ca 0.01 -3.23 -0.13 0.00 -1.01 0.00 0.00 57.07 52.70 2krb s TYR 53 Cb -0.13 -2.79 0.20 0.00 -0.11 0.00 0.00 41.96 39.13 2krb s TYR 53 CO -0.04 -0.67 1.11 -1.25 -1.11 0.00 0.00 175.55 173.59 2krb s PRO 54 N -0.76 0.25 0.27 -1.71 0.04 -1.26 -5.10 135.00 126.73 2krb s PRO 54 Ca 0.20 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 2krb s PRO 54 Cb -0.17 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2krb s PRO 54 CO -0.07 -2.82 0.35 -1.21 0.04 0.00 0.00 177.00 173.29 2krb s GLU 55 N -5.08 1.58 -0.28 4.56 2.02 -1.26 -4.59 118.70 115.65 2krb s GLU 55 Ca 0.66 -1.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 2krb s GLU 55 Cb -0.17 0.38 0.05 0.00 0.10 0.00 0.00 34.13 34.49 2krb s GLU 55 CO 0.57 -0.62 -0.05 -1.83 0.02 0.00 0.00 175.26 173.36 2krb s GLU 56 N -3.69 2.48 -0.98 1.61 -1.05 -1.20 -4.74 118.70 111.13 2krb s GLU 56 Ca 0.32 -1.21 -0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2krb s GLU 56 Cb 0.02 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 2krb s GLU 56 CO 0.16 -0.55 0.01 -0.25 0.95 0.00 0.00 175.26 175.57 2krb n ASP 57 N 4.59 -3.70 -0.01 0.83 9.92 -1.26 -0.11 116.55 126.81 2krb n ASP 57 Ca -0.14 0.21 -0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2krb n ASP 57 Cb 0.44 -3.15 -0.00 0.00 -0.64 0.00 0.00 41.12 37.77 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2krb n GLY 58 N -0.79 0.47 3.25 0.44 0.00 -1.26 -5.04 105.19 102.26 2krb n GLY 58 Ca -0.13 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.95 0.81 -1.62 1.61 5.02 0.84 -5.07 118.16 116.81 2krb n LYS 59 Ca -0.00 -3.00 -0.45 0.00 -2.02 0.00 0.00 58.31 52.84 2krb n LYS 59 Cb 0.01 0.40 -0.04 0.00 -0.02 0.00 0.00 35.03 35.38 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 -1.53 0.51 -1.12 -0.18 -2.24 -1.26 -3.26 114.28 105.20 2krb n THR 60 Ca -0.04 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2krb n THR 60 Cb 0.54 -2.22 0.20 0.00 -2.10 0.00 0.00 70.33 66.75 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 5.25 -0.11 0.00 -0.78 -2.85 -1.26 -4.63 119.74 115.36 2krb s LYS 61 Ca 0.97 0.36 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 2krb s LYS 61 Cb -0.51 -1.69 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 2krb s LYS 61 CO 0.43 -3.06 0.23 0.41 0.10 0.00 0.00 175.35 173.46 2krb n GLY 62 N -0.97 -0.45 3.19 0.59 0.00 -1.24 -3.30 105.19 103.02 2krb n GLY 62 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.03 -0.03 0.20 1.61 5.04 -1.26 -1.20 117.35 121.68 2krb s TYR 63 Ca 0.00 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 2krb s TYR 63 Cb 0.00 0.01 -0.05 0.00 0.35 0.00 0.00 41.96 42.28 2krb s TYR 63 CO 0.00 -0.40 0.05 0.96 -1.34 0.00 0.00 175.55 174.82 2krb s ILE 64 N -2.00 0.51 -0.06 3.14 -5.25 -1.23 -4.39 121.20 111.92 2krb s ILE 64 Ca -0.09 -1.98 0.00 0.00 -0.99 0.00 0.00 60.65 57.59 2krb s ILE 64 Cb -0.03 -2.30 0.02 0.00 2.95 0.00 0.00 42.46 43.10 2krb s ILE 64 CO -0.01 -0.29 -0.03 0.12 -1.79 0.00 0.00 174.94 172.95 2krb s PHE 65 N -3.78 0.73 0.08 1.37 5.36 -0.40 -2.99 117.98 118.35 2krb s PHE 65 Ca 0.30 -0.21 0.07 0.00 -0.96 0.00 0.00 56.93 56.13 2krb s PHE 65 Cb 0.07 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2krb s PHE 65 CO 0.07 -0.25 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.90 2krb s LEU 66 N 1.30 2.28 -0.03 6.12 1.43 -0.78 -0.72 118.68 128.28 2krb s LEU 66 Ca -0.05 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2krb s LEU 66 Cb -0.14 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2krb s LEU 66 CO -0.02 0.00 -0.03 -0.70 0.23 0.00 0.00 176.35 175.83 2krb s GLU 67 N -1.77 0.49 0.48 1.70 2.12 -1.26 -0.81 118.70 119.65 2krb s GLU 67 Ca 0.03 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.33 2krb s GLU 67 Cb -0.10 -0.56 0.02 0.00 0.26 0.00 0.00 34.13 33.75 2krb s GLU 67 CO 0.03 -0.05 0.69 0.71 -0.54 0.00 0.00 175.26 176.10 2krb s TYR 68 N 0.67 2.98 -1.98 5.30 2.02 -1.18 -2.20 117.35 122.96 2krb s TYR 68 Ca -0.08 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2krb s TYR 68 Cb -0.11 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 38.96 2krb s TYR 68 CO -0.01 -0.59 1.00 0.00 -1.57 0.00 0.00 175.55 174.39 2krb n ALA 69 N -2.13 2.50 -3.57 3.71 0.00 -1.26 -4.86 120.51 114.89 2krb n ALA 69 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2krb n ALA 69 Cb 0.59 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.98 -0.32 0.11 0.00 0.01 -1.26 -5.07 113.70 106.19 2krb s SER 70 Ca 0.01 0.26 -0.18 0.00 1.31 0.00 0.00 55.95 57.35 2krb s SER 70 Cb 0.01 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2krb s SER 70 CO 0.01 -0.37 1.62 1.55 0.41 0.00 0.00 173.24 176.46 2krb h PRO 71 N 2.36 0.45 -0.05 12.44 0.13 -1.86 -2.58 132.00 142.90 2krb h PRO 71 Ca -0.17 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2krb h PRO 71 Cb 1.18 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2krb h PRO 71 CO 0.30 0.51 0.31 0.00 -0.23 0.00 0.00 178.00 178.89 2krb h ALA 72 N 0.92 1.40 0.04 -0.56 0.00 -1.97 0.66 119.26 119.76 2krb h ALA 72 Ca 0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2krb h ALA 72 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2krb h ALA 72 CO -0.00 -0.34 -0.87 0.45 0.00 0.00 0.00 179.25 178.49 2krb h HIS 73 N 0.00 0.16 0.14 0.00 3.86 -1.77 -3.23 115.15 114.31 2krb h HIS 73 Ca 0.02 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2krb h HIS 73 Cb 0.65 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2krb h HIS 73 CO 0.00 1.34 -0.07 0.00 0.86 0.00 0.00 177.93 180.06 2krb h ALA 74 N -0.17 -0.19 -0.40 2.45 0.00 -1.28 0.05 119.26 119.72 2krb h ALA 74 Ca -0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2krb h ALA 74 Cb 1.36 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2krb h ALA 74 CO -0.04 -0.48 0.24 -0.39 0.00 0.00 0.00 179.25 178.57 2krb h VAL 75 N -0.44 1.12 0.44 0.00 -1.51 -1.08 -1.73 116.25 113.04 2krb h VAL 75 Ca -0.02 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2krb h VAL 75 Cb 0.35 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2krb h VAL 75 CO 0.03 0.12 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.50 2krb h ASP 76 N 0.54 -0.50 -0.99 4.19 3.58 -1.56 -3.20 116.42 118.49 2krb h ASP 76 Ca 0.14 -0.09 0.10 0.00 0.42 0.00 0.00 57.03 57.60 2krb h ASP 76 Cb -0.02 0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.09 2krb h ASP 76 CO -0.03 -0.09 0.63 0.00 -2.88 0.00 0.00 179.24 176.87 2krb h ALA 77 N -0.75 1.50 -0.79 -0.78 0.00 -0.47 -0.19 119.26 117.78 2krb h ALA 77 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2krb h ALA 77 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2krb h ALA 77 CO 0.10 0.29 0.52 0.28 0.00 0.00 0.00 179.25 180.44 2krb h VAL 78 N 1.04 1.17 -0.04 0.00 2.07 -1.46 0.12 116.25 119.15 2krb h VAL 78 Ca 0.46 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2krb h VAL 78 Cb 0.37 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2krb h VAL 78 CO -0.22 0.19 0.00 0.29 0.02 0.00 0.00 177.57 177.85 2krb n LYS 79 N -4.56 1.25 -0.01 1.57 4.01 -0.19 -3.65 118.16 116.58 2krb n LYS 79 Ca 0.09 -0.38 -0.05 0.00 -0.51 0.00 0.00 58.31 57.46 2krb n LYS 79 Cb 0.05 -1.40 -0.02 0.00 -0.51 0.00 0.00 35.03 33.15 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 -0.47 0.74 -1.03 4.39 3.02 -0.55 -4.77 115.26 116.59 2krb n ASN 80 Ca 0.18 0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.87 2krb n ASN 80 Cb 0.18 -0.27 0.16 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.43 3.02 -1.47 5.41 0.00 0.37 -4.91 120.51 119.49 2krb n ALA 81 Ca -0.09 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 2krb n ALA 81 Cb 0.41 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 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 0.27 0.37 -1.08 0.00 2.03 -1.24 -3.75 116.55 113.16 2krb n ASP 82 Ca 0.11 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2krb n ASP 82 Cb 0.61 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 -2.07 3.68 0.27 0.00 -1.25 -4.85 105.19 107.00 2krb n GLY 83 Ca 0.44 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2krb n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2krb n TYR 84 N 0.15 1.15 -3.00 1.61 4.01 -1.25 -4.82 117.16 115.02 2krb n TYR 84 Ca 0.00 0.40 -0.34 0.00 -0.16 0.00 0.00 57.90 57.80 2krb n TYR 84 Cb 0.00 -2.09 -0.02 0.00 -0.31 0.00 0.00 39.34 36.92 2krb n TYR 84 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krb n LYS 85 N -3.28 3.88 0.00 -0.72 0.00 -1.26 -4.39 118.16 112.39 2krb n LYS 85 Ca 0.13 -4.70 0.02 0.00 -0.00 0.00 0.00 58.31 53.76 2krb n LYS 85 Cb 0.51 -2.36 0.12 0.00 -0.00 0.00 0.00 35.03 33.29 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 0.42 0.00 -2.44 -5.58 7.94 -1.26 -4.85 117.00 111.23 2krb n LEU 86 Ca 0.34 0.21 -0.20 0.00 -1.11 0.00 0.00 56.01 55.25 2krb n LEU 86 Cb 0.35 -0.21 0.01 0.00 0.53 0.00 0.00 43.42 44.10 2krb n LEU 86 CO 0.49 -0.18 -0.15 -0.67 -1.11 0.00 0.00 177.39 175.77 2krb n ASP 87 N -1.21 -5.65 -4.75 1.96 -0.08 -1.26 -5.00 116.55 100.56 2krb n ASP 87 Ca 0.02 -0.12 -0.25 0.00 -1.51 0.00 0.00 54.79 52.93 2krb n ASP 87 Cb 0.03 -4.60 -0.07 0.00 2.34 0.00 0.00 41.12 38.82 2krb n ASP 87 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2krb s LYS 88 N -5.22 2.22 0.38 -0.67 2.36 -1.26 -5.06 119.74 112.48 2krb s LYS 88 Ca 0.11 -1.89 0.17 0.00 -2.55 0.00 0.00 55.97 51.81 2krb s LYS 88 Cb -0.05 -1.96 0.73 0.00 -1.05 0.00 0.00 37.83 35.50 2krb s LYS 88 CO 0.14 -0.17 1.78 1.96 1.55 0.00 0.00 175.35 180.62 2krb h GLN 89 N 1.37 0.00 -5.57 4.03 7.50 -2.04 -3.42 115.11 116.99 2krb h GLN 89 Ca -0.42 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.05 2krb h GLN 89 Cb 1.26 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 28.50 2krb h GLN 89 CO 0.69 0.38 -0.82 -1.01 -1.50 0.00 0.00 178.83 176.58 2krb s HIS 90 N -3.86 2.67 0.37 2.96 3.76 -1.26 -5.14 115.29 114.80 2krb s HIS 90 Ca -0.01 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.24 2krb s HIS 90 Cb 0.13 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 2krb s HIS 90 CO 0.70 -0.22 0.54 0.99 -0.85 0.00 0.00 174.74 175.90 2krb s THR 91 N 0.13 4.05 0.56 1.30 2.01 -1.26 -4.97 115.64 117.45 2krb s THR 91 Ca -0.09 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2krb s THR 91 Cb -0.15 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2krb s THR 91 CO 0.06 -0.22 0.77 -0.36 -0.69 0.00 0.00 174.62 174.18 2krb s PHE 92 N -2.31 2.34 -0.34 4.92 0.40 -1.26 -4.86 117.98 116.87 2krb s PHE 92 Ca 0.46 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 2krb s PHE 92 Cb -0.10 -2.62 0.12 0.00 0.51 0.00 0.00 43.02 40.93 2krb s PHE 92 CO 0.33 -0.99 0.17 1.03 0.70 0.00 0.00 175.22 176.47 2krb s ARG 93 N -4.73 0.62 -0.45 0.44 1.81 -0.73 -3.96 118.95 111.95 2krb s ARG 93 Ca 0.59 -1.18 -0.22 0.00 -1.72 0.00 0.00 55.73 53.20 2krb s ARG 93 Cb -0.08 -1.59 0.03 0.00 -0.45 0.00 0.00 34.95 32.85 2krb s ARG 93 CO 0.38 -1.10 0.74 0.08 -0.68 0.00 0.00 175.30 174.72 2krb s VAL 94 N 1.33 4.70 0.00 3.52 1.01 -1.26 -1.22 120.40 128.49 2krb s VAL 94 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2krb s VAL 94 Cb -0.20 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2krb s VAL 94 CO -0.15 -0.69 0.16 0.59 0.00 0.00 0.00 175.10 175.01