#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb s SER 2 N 0.00 0.08 -0.23 1.61 0.01 -1.26 -5.16 113.70 108.75 2djb s SER 2 Ca 0.00 -0.18 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 2djb s SER 2 Cb 0.00 0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.48 2djb s SER 2 CO 0.00 -0.16 1.16 -0.55 0.41 0.00 0.00 173.24 174.10 2djb s SER 3 N -0.69 -0.25 -0.02 2.44 0.15 -1.26 -5.18 113.70 108.89 2djb s SER 3 Ca -0.08 0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.77 2djb s SER 3 Cb -0.05 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2djb s SER 3 CO -0.00 -0.18 0.31 -0.83 1.20 0.00 0.00 173.24 173.73 2djb s GLY 4 N -0.72 -0.15 -0.11 9.45 0.00 -1.26 -5.17 107.32 109.37 2djb s GLY 4 Ca 0.03 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 2djb s GLY 4 CO -0.05 0.12 0.38 -0.56 0.00 0.00 0.00 173.10 173.00 2djb s SER 5 N -1.29 -0.36 -0.28 1.64 0.01 -1.26 -5.14 113.70 107.02 2djb s SER 5 Ca -0.13 0.60 -0.01 0.00 1.31 0.00 0.00 55.95 57.72 2djb s SER 5 Cb -0.05 0.66 0.09 0.00 0.21 0.00 0.00 66.02 66.93 2djb s SER 5 CO 0.04 -0.24 0.07 -0.44 0.41 0.00 0.00 173.24 173.07 2djb s SER 6 N -0.27 3.81 -0.31 2.44 0.01 -1.26 -4.97 113.70 113.14 2djb s SER 6 Ca -0.04 -1.44 0.18 0.00 1.31 0.00 0.00 55.95 55.96 2djb s SER 6 Cb -0.03 -0.87 0.46 0.00 0.21 0.00 0.00 66.02 65.78 2djb s SER 6 CO 0.02 -0.37 1.19 0.61 0.41 0.00 0.00 173.24 175.10 2djb n GLY 7 N 4.85 1.69 3.81 3.44 0.00 -1.26 -5.10 105.19 112.62 2djb n GLY 7 Ca -0.04 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2djb n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2djb s ASN 8 N -2.72 6.33 -0.19 1.61 3.84 -1.26 -5.07 114.94 117.48 2djb s ASN 8 Ca 0.23 0.39 -0.32 0.00 0.21 0.00 0.00 52.86 53.36 2djb s ASN 8 Cb 0.40 -2.09 0.14 0.00 -0.55 0.00 0.00 41.25 39.15 2djb s ASN 8 CO -0.04 0.30 1.17 -1.48 -2.79 0.00 0.00 177.10 174.26 2djb s LEU 9 N -0.41 -0.18 -0.15 3.21 2.34 -1.26 -5.17 118.68 117.07 2djb s LEU 9 Ca 0.12 0.08 -0.06 0.00 0.06 0.00 0.00 54.13 54.34 2djb s LEU 9 Cb -0.12 1.47 0.07 0.00 -0.56 0.00 0.00 46.19 47.04 2djb s LEU 9 CO 0.02 -0.25 0.32 -0.44 -1.06 0.00 0.00 176.35 174.94 2djb s SER 10 N -1.77 -0.04 -0.15 1.48 0.01 -1.26 -5.14 113.70 106.84 2djb s SER 10 Ca 0.07 0.72 -0.04 0.00 1.31 0.00 0.00 55.95 58.00 2djb s SER 10 Cb -0.01 0.80 0.07 0.00 0.21 0.00 0.00 66.02 67.09 2djb s SER 10 CO -0.05 -0.22 0.22 -0.70 0.41 0.00 0.00 173.24 172.90 2djb s GLU 11 N 2.07 0.14 -1.15 12.44 2.56 -1.26 -5.08 118.70 128.43 2djb s GLU 11 Ca -0.03 0.44 -0.09 0.00 0.00 0.00 0.00 54.97 55.29 2djb s GLU 11 Cb -0.11 -0.66 0.25 0.00 2.00 0.00 0.00 34.13 35.62 2djb s GLU 11 CO -0.10 -0.47 1.34 1.28 -0.56 0.00 0.00 175.26 176.75 2djb n LEU 12 N 5.33 5.78 -3.98 2.70 4.77 -1.26 -4.97 117.00 125.37 2djb n LEU 12 Ca -0.05 -4.92 -0.09 0.00 -0.03 0.00 0.00 56.01 50.92 2djb n LEU 12 Cb 0.50 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 2djb n LEU 12 CO 0.06 1.30 -0.28 0.42 -1.33 0.00 0.00 177.39 177.56 2djb s THR 13 N -0.89 0.15 0.01 -5.08 -4.23 -1.26 -5.13 115.64 99.20 2djb s THR 13 Ca 0.34 -1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 2djb s THR 13 Cb -0.03 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.88 2djb s THR 13 CO -0.01 -0.66 1.45 -2.16 -0.54 0.00 0.00 174.62 172.69 2djb s PRO 14 N -2.59 4.27 -0.26 3.99 0.04 -1.26 -5.00 135.00 134.18 2djb s PRO 14 Ca -0.05 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2djb s PRO 14 Cb -0.01 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2djb s PRO 14 CO -0.05 -0.61 0.35 0.71 0.04 0.00 0.00 177.00 177.44 2djb s TYR 15 N 2.49 3.27 0.05 0.56 2.02 -1.26 -4.95 117.35 119.52 2djb s TYR 15 Ca 0.66 0.41 0.14 0.00 -0.37 0.00 0.00 57.07 57.91 2djb s TYR 15 Cb -0.33 -2.53 0.25 0.00 -0.40 0.00 0.00 41.96 38.95 2djb s TYR 15 CO 0.27 -0.17 1.53 0.82 -1.57 0.00 0.00 175.55 176.43 2djb h ILE 16 N 5.31 1.08 -3.72 2.71 2.04 -1.95 -3.46 117.51 119.53 2djb h ILE 16 Ca -0.33 -2.20 -0.43 0.00 1.00 0.00 0.00 64.86 62.91 2djb h ILE 16 Cb 1.16 2.31 0.18 0.00 -0.74 0.00 0.00 36.82 39.73 2djb h ILE 16 CO 0.65 0.55 0.23 -0.76 0.00 0.00 0.00 178.15 178.82 2djb s LEU 17 N -6.82 1.40 0.39 1.44 1.43 -1.26 -2.38 118.68 112.88 2djb s LEU 17 Ca 0.02 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2djb s LEU 17 Cb 0.10 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2djb s LEU 17 CO 0.74 -3.58 0.30 0.00 0.23 0.00 0.00 176.35 174.03 2djb n SER 19 N -1.41 1.19 -0.07 0.00 2.88 -1.26 -3.51 113.62 111.45 2djb n SER 19 Ca 0.01 -0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.47 2djb n SER 19 Cb 0.62 0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 64.59 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2djb h ILE 20 N 0.00 0.04 0.00 2.46 2.04 -1.97 -3.39 117.51 116.70 2djb h ILE 20 Ca -0.48 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.34 2djb h ILE 20 Cb 1.98 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2djb h ILE 20 CO -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 178.15 178.10 2djb n LYS 22 N -2.99 -6.53 0.00 0.00 4.76 -1.23 -4.96 118.16 107.22 2djb n LYS 22 Ca 0.04 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 2djb n LYS 22 Cb 0.52 -5.73 0.00 0.00 -1.84 0.00 0.00 35.03 27.98 2djb n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djb n GLY 23 N -1.40 4.31 3.70 0.72 0.00 -1.26 -4.69 105.19 106.57 2djb n GLY 23 Ca -0.22 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2djb n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djb s TYR 24 N -0.54 2.63 -1.00 1.61 2.02 -1.26 -0.10 117.35 120.70 2djb s TYR 24 Ca 0.00 0.33 -0.24 0.00 -0.37 0.00 0.00 57.07 56.78 2djb s TYR 24 Cb 0.00 -4.04 -0.09 0.00 -0.40 0.00 0.00 41.96 37.43 2djb s TYR 24 CO 0.00 -4.07 2.02 -0.51 -1.57 0.00 0.00 175.55 171.43 2djb s LEU 25 N 1.97 3.00 0.03 -1.29 1.43 -1.00 -4.80 118.68 118.01 2djb s LEU 25 Ca 0.75 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2djb s LEU 25 Cb -0.44 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 2djb s LEU 25 CO 0.33 -3.23 1.37 -0.63 0.23 0.00 0.00 176.35 174.42 2djb s ILE 26 N 11.80 3.67 -1.78 -0.59 1.01 -1.26 -3.25 121.20 130.79 2djb s ILE 26 Ca 0.74 1.11 -0.19 0.00 0.00 0.00 0.00 60.65 62.30 2djb s ILE 26 Cb -0.05 -3.71 0.19 0.00 0.01 0.00 0.00 42.46 38.89 2djb s ILE 26 CO 0.07 0.03 0.61 -0.67 0.00 0.00 0.00 174.94 174.98 2djb n ASP 27 N 4.91 -2.06 -1.11 3.58 -0.08 -1.26 -0.98 116.55 119.55 2djb n ASP 27 Ca 0.12 -1.16 -0.14 0.00 -1.51 0.00 0.00 54.79 52.10 2djb n ASP 27 Cb 0.44 -2.04 -0.02 0.00 2.34 0.00 0.00 41.12 41.84 2djb n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2djb n ALA 28 N -4.22 -1.28 -3.83 -1.67 0.00 -1.20 -1.75 120.51 106.56 2djb n ALA 28 Ca 0.05 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 2djb n ALA 28 Cb 0.49 -0.43 -0.16 0.00 0.00 0.00 0.00 19.45 19.35 2djb n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2djb s THR 29 N -0.01 0.99 0.34 0.00 2.01 0.13 -4.64 115.64 114.47 2djb s THR 29 Ca 0.22 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2djb s THR 29 Cb -0.31 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 2djb s THR 29 CO 0.14 -0.19 0.68 -0.89 -0.69 0.00 0.00 174.62 173.68 2djb s THR 30 N 1.64 4.84 0.06 -0.82 2.01 -1.26 -1.12 115.64 121.00 2djb s THR 30 Ca -0.03 0.54 -0.09 0.00 0.31 0.00 0.00 61.69 62.43 2djb s THR 30 Cb -0.18 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2djb s THR 30 CO -0.08 -0.35 0.37 -0.63 -0.69 0.00 0.00 174.62 173.24 2djb s ILE 31 N -2.15 5.15 -0.28 1.82 1.01 -1.03 -4.90 121.20 120.82 2djb s ILE 31 Ca 0.50 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.52 2djb s ILE 31 Cb -0.10 -3.63 0.23 0.00 0.01 0.00 0.00 42.46 38.97 2djb s ILE 31 CO 0.27 0.29 1.21 0.41 0.00 0.00 0.00 174.94 177.12 2djb n THR 32 N 0.91 1.54 0.01 2.92 -1.04 -1.26 -2.36 114.28 115.01 2djb n THR 32 Ca -0.08 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2djb n THR 32 Cb 0.52 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 2djb n THR 32 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2djb n GLU 33 N 0.02 0.00 0.00 -2.82 0.00 -1.26 -4.88 120.64 111.69 2djb n GLU 33 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.45 2djb n GLU 33 Cb 0.81 -0.01 0.31 0.00 0.00 0.00 0.00 31.44 32.55 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2djb n LEU 35 N -1.35 -3.69 -4.57 0.00 4.77 -0.99 -4.98 117.00 106.19 2djb n LEU 35 Ca 0.07 -0.64 -0.35 0.00 -0.03 0.00 0.00 56.01 55.06 2djb n LEU 35 Cb 0.34 -3.02 -0.11 0.00 -2.33 0.00 0.00 43.42 38.30 2djb n LEU 35 CO 0.33 0.46 -0.25 -1.00 -1.33 0.00 0.00 177.39 175.59 2djb s HIS 36 N -3.39 3.19 -0.09 -1.77 3.76 -1.26 -4.77 115.29 110.96 2djb s HIS 36 Ca 0.17 -0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 54.72 2djb s HIS 36 Cb -0.08 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 2djb s HIS 36 CO 0.75 -0.05 0.93 0.99 -0.85 0.00 0.00 174.74 176.51 2djb s THR 37 N 0.92 4.85 -0.17 1.30 2.01 -1.26 -2.46 115.64 120.83 2djb s THR 37 Ca 0.04 1.90 -0.08 0.00 0.31 0.00 0.00 61.69 63.86 2djb s THR 37 Cb -0.14 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.19 2djb s THR 37 CO 0.03 0.08 0.41 -0.36 -0.69 0.00 0.00 174.62 174.08 2djb s PHE 38 N 1.65 -0.64 0.20 4.92 0.08 -0.27 -4.84 117.98 119.08 2djb s PHE 38 Ca 0.46 1.33 -0.18 0.00 0.12 0.00 0.00 56.93 58.66 2djb s PHE 38 Cb -0.19 0.26 -0.12 0.00 -0.57 0.00 0.00 43.02 42.41 2djb s PHE 38 CO 0.19 -0.38 0.25 0.00 -0.10 0.00 0.00 175.22 175.18 2djb h LYS 40 N 0.52 0.60 0.03 0.00 3.11 -0.20 -0.56 116.57 120.07 2djb h LYS 40 Ca -0.23 -0.06 -0.23 0.00 -2.81 0.00 0.00 60.65 57.32 2djb h LYS 40 Cb 1.04 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2djb h LYS 40 CO 0.38 0.46 -0.98 0.77 -2.81 0.00 0.00 179.45 177.27 2djb h SER 41 N 0.61 0.43 0.47 4.20 0.02 -1.86 -2.94 113.55 114.47 2djb h SER 41 Ca 0.16 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2djb h SER 41 Cb 0.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2djb h SER 41 CO -0.02 1.19 -0.23 0.00 -1.14 0.00 0.00 176.83 176.63 2djb h ILE 43 N -1.00 0.50 -0.50 0.00 6.09 -1.26 0.40 117.51 121.74 2djb h ILE 43 Ca -0.07 -0.10 -0.06 0.00 -1.37 0.00 0.00 64.86 63.27 2djb h ILE 43 Cb 0.49 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.95 2djb h ILE 43 CO 0.11 0.05 0.08 0.58 -3.07 0.00 0.00 178.15 175.90 2djb h VAL 44 N 0.28 1.25 -0.59 2.19 2.07 -1.57 -0.64 116.25 119.24 2djb h VAL 44 Ca 0.44 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 2djb h VAL 44 Cb 0.76 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2djb h VAL 44 CO -0.52 0.33 0.05 0.03 0.02 0.00 0.00 177.57 177.48 2djb h ARG 45 N 0.70 1.00 0.00 1.57 3.08 0.68 -2.59 114.38 118.81 2djb h ARG 45 Ca 0.15 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2djb h ARG 45 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2djb h ARG 45 CO 0.01 0.95 -0.53 1.25 -1.07 0.00 0.00 179.97 180.58 2djb h HIS 46 N 0.93 0.00 0.00 3.04 2.76 -0.13 -2.85 115.15 118.90 2djb h HIS 46 Ca 0.18 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2djb h HIS 46 Cb 0.47 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2djb h HIS 46 CO 0.03 0.53 -0.26 0.74 -1.30 0.00 0.00 177.93 177.68 2djb h PHE 47 N 0.00 0.00 -0.37 5.26 0.04 -0.74 0.37 116.94 121.51 2djb h PHE 47 Ca -0.01 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2djb h PHE 47 Cb 1.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 2djb h PHE 47 CO 0.00 0.26 -0.42 1.88 -0.60 0.00 0.00 178.31 179.43 2djb h TYR 48 N 0.00 1.13 0.08 -0.55 0.05 -1.23 -3.33 116.97 113.11 2djb h TYR 48 Ca -0.00 -0.35 -0.32 0.00 0.05 0.00 0.00 58.73 58.10 2djb h TYR 48 Cb 0.75 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2djb h TYR 48 CO 0.00 1.18 -1.75 0.66 -1.05 0.00 0.00 178.16 177.20 2djb n TYR 49 N -4.05 1.17 -3.95 4.88 4.01 -1.15 -4.87 117.16 113.20 2djb n TYR 49 Ca -0.03 0.32 -0.29 0.00 -0.16 0.00 0.00 57.90 57.75 2djb n TYR 49 Cb 0.56 -1.14 -0.17 0.00 -0.31 0.00 0.00 39.34 38.29 2djb n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2djb s SER 50 N -6.99 2.66 0.00 7.72 0.15 0.13 -5.01 113.70 112.36 2djb s SER 50 Ca -0.25 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 55.86 2djb s SER 50 Cb 0.06 -1.02 -0.10 0.00 -1.71 0.00 0.00 66.02 63.25 2djb s SER 50 CO 0.70 -0.12 2.36 -0.46 1.20 0.00 0.00 173.24 176.93 2djb n ASN 51 N 4.84 4.57 -3.97 5.45 6.94 -1.25 -3.49 115.26 128.34 2djb n ASN 51 Ca -0.14 -2.27 -0.11 0.00 -0.02 0.00 0.00 54.58 52.03 2djb n ASN 51 Cb 0.49 -1.08 -0.07 0.00 -2.36 0.00 0.00 39.78 36.76 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2djb s ARG 52 N 0.71 1.45 -0.05 -3.83 0.52 -1.26 -3.86 118.95 112.63 2djb s ARG 52 Ca 0.25 -1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 53.69 2djb s ARG 52 Cb 0.12 0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.93 2djb s ARG 52 CO 0.00 -0.55 0.81 0.00 0.02 0.00 0.00 175.30 175.58 2djb n PRO 54 N 3.92 0.49 0.00 0.00 -0.04 -1.26 0.19 135.00 138.30 2djb n PRO 54 Ca 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2djb n PRO 54 Cb 0.51 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2djb n PRO 54 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2djb n LYS 55 N -0.51 0.02 0.03 0.54 0.00 -1.26 -4.83 118.16 112.15 2djb n LYS 55 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 58.31 58.43 2djb n LYS 55 Cb 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 35.03 34.88 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2djb n ASN 57 N -1.98 -3.98 -4.63 0.00 4.13 0.13 -4.95 115.26 103.98 2djb n ASN 57 Ca 0.02 -0.56 -0.27 0.00 1.68 0.00 0.00 54.58 55.46 2djb n ASN 57 Cb 0.43 -4.41 -0.08 0.00 -1.54 0.00 0.00 39.78 34.18 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2djb s ILE 58 N -3.31 3.57 -0.76 2.41 -4.36 -1.26 -4.71 121.20 112.78 2djb s ILE 58 Ca 0.19 -1.45 -0.26 0.00 -0.26 0.00 0.00 60.65 58.87 2djb s ILE 58 Cb -0.03 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2djb s ILE 58 CO 0.61 -0.08 1.46 -0.69 0.24 0.00 0.00 174.94 176.48 2djb s VAL 59 N -1.67 3.66 -0.27 8.37 1.01 -1.26 -2.01 120.40 128.24 2djb s VAL 59 Ca 0.26 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2djb s VAL 59 Cb -0.09 -4.69 -0.11 0.00 0.00 0.00 0.00 36.38 31.49 2djb s VAL 59 CO 0.17 -1.63 -0.36 0.52 0.00 0.00 0.00 175.10 173.81 2djb n VAL 60 N 6.71 1.52 -0.21 2.92 0.31 -1.25 -4.56 118.33 123.76 2djb n VAL 60 Ca 0.13 -0.32 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 2djb n VAL 60 Cb 0.50 -1.94 0.04 0.00 -0.91 0.00 0.00 33.84 31.52 2djb n VAL 60 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2djb h HIS 61 N -1.00 0.81 -6.02 3.52 2.76 -1.87 -3.45 115.15 109.91 2djb h HIS 61 Ca -0.61 -0.01 -0.41 0.00 -2.20 0.00 0.00 60.37 57.15 2djb h HIS 61 Cb 1.53 -0.26 -0.20 0.00 1.55 0.00 0.00 27.41 30.03 2djb h HIS 61 CO -0.14 0.56 -0.61 0.00 -1.30 0.00 0.00 177.93 176.45 2djb n GLN 62 N -4.60 -0.88 -3.99 5.26 10.64 -1.26 -4.86 117.38 117.69 2djb n GLN 62 Ca 0.04 0.08 -0.31 0.00 -1.83 0.00 0.00 57.00 54.98 2djb n GLN 62 Cb 0.06 -2.73 -0.15 0.00 -0.86 0.00 0.00 30.24 26.56 2djb n GLN 62 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2djb s THR 63 N -3.12 1.74 0.09 -0.39 2.01 -1.26 -5.09 115.64 109.62 2djb s THR 63 Ca 0.30 -1.31 -0.36 0.00 0.31 0.00 0.00 61.69 60.64 2djb s THR 63 Cb -0.17 -1.92 -0.18 0.00 0.01 0.00 0.00 72.50 70.23 2djb s THR 63 CO 0.66 -0.03 1.05 0.00 -0.69 0.00 0.00 174.62 175.61 2djb n GLN 64 N 4.60 0.49 -1.89 4.92 10.64 -1.26 -4.90 117.38 129.98 2djb n GLN 64 Ca -0.13 0.17 -0.34 0.00 -1.83 0.00 0.00 57.00 54.88 2djb n GLN 64 Cb 0.44 -1.62 0.04 0.00 -0.86 0.00 0.00 30.24 28.24 2djb n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2djb s PRO 65 N -0.18 2.95 -0.12 2.61 0.04 -1.26 -5.05 135.00 133.99 2djb s PRO 65 Ca 0.81 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 2djb s PRO 65 Cb -1.06 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2djb s PRO 65 CO 0.54 -1.14 -0.07 -0.48 0.04 0.00 0.00 177.00 175.89 2djb s LEU 66 N -4.59 3.12 0.09 -3.56 0.05 -1.26 -5.03 118.68 107.50 2djb s LEU 66 Ca 0.68 -0.12 -0.26 0.00 0.05 0.00 0.00 54.13 54.48 2djb s LEU 66 Cb -0.21 -1.71 -0.15 0.00 -2.05 0.00 0.00 46.19 42.07 2djb s LEU 66 CO 0.38 0.24 1.70 0.28 -0.55 0.00 0.00 176.35 178.40 2djb h SER 67 N 6.14 -0.28 0.00 1.48 0.02 -2.05 -3.42 113.55 115.44 2djb h SER 67 Ca -0.37 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 2djb h SER 67 Cb 1.19 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 2djb h SER 67 CO 0.58 -0.18 1.28 0.61 -1.14 0.00 0.00 176.83 177.97 2djb n GLY 68 N -1.23 -0.22 1.41 -3.77 0.00 -1.26 -4.89 105.19 95.24 2djb n GLY 68 Ca -0.08 1.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 2djb n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djb n PRO 69 N 6.87 -1.89 -3.83 1.61 -0.04 -1.26 -5.03 135.00 131.44 2djb n PRO 69 Ca 0.51 -0.71 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 2djb n PRO 69 Cb -0.02 -0.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.67 2djb n PRO 69 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2djb s SER 70 N -2.70 5.55 -0.13 3.54 0.01 -1.26 -5.00 113.70 113.71 2djb s SER 70 Ca 0.29 -0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.44 2djb s SER 70 Cb -0.03 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 2djb s SER 70 CO 0.22 0.06 -0.02 -1.28 0.41 0.00 0.00 173.24 172.63 2djb h SER 71 N 7.57 0.00 0.00 2.44 0.87 -2.04 -3.57 113.55 118.82 2djb h SER 71 Ca -0.37 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2djb h SER 71 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2djb h SER 71 CO 0.63 0.72 0.00 0.61 -0.53 0.00 0.00 176.83 178.26