#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 -0.32 -0.05 1.61 1.04 -1.26 -5.19 113.70 109.53 2djb s SER 2 Ca 0.00 0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.13 2djb s SER 2 Cb 0.00 0.33 0.12 0.00 0.10 0.00 0.00 66.02 66.57 2djb s SER 2 CO 0.00 -0.53 1.23 -0.55 0.98 0.00 0.00 173.24 174.37 2djb s SER 3 N -2.37 -0.10 0.36 7.02 0.15 -1.26 -5.19 113.70 112.32 2djb s SER 3 Ca 0.06 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.64 2djb s SER 3 Cb -0.01 0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 64.42 2djb s SER 3 CO -0.08 -0.33 0.04 -0.83 1.20 0.00 0.00 173.24 173.24 2djb s GLY 4 N -2.73 2.25 -0.22 9.45 0.00 -1.26 -5.15 107.32 109.67 2djb s GLY 4 Ca 0.12 -2.11 -0.09 0.00 0.00 0.00 0.00 44.72 42.65 2djb s GLY 4 CO -0.04 -1.92 0.48 -0.45 0.00 0.00 0.00 173.10 171.17 2djb s SER 5 N -3.57 -0.51 -0.19 1.64 0.15 -1.26 -5.06 113.70 104.90 2djb s SER 5 Ca 0.35 1.11 -0.15 0.00 0.70 0.00 0.00 55.95 57.96 2djb s SER 5 Cb 0.09 1.38 -0.07 0.00 -1.71 0.00 0.00 66.02 65.71 2djb s SER 5 CO 0.16 -0.22 -0.24 -0.24 1.20 0.00 0.00 173.24 173.90 2djb n SER 6 N 5.07 1.89 -3.67 5.45 2.88 -1.26 -5.02 113.62 118.96 2djb n SER 6 Ca -0.13 0.44 -0.21 0.00 -1.33 0.00 0.00 58.87 57.64 2djb n SER 6 Cb 0.51 -0.82 0.04 0.00 -0.75 0.00 0.00 64.21 63.19 2djb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djb n GLY 7 N 1.47 -0.30 3.39 0.46 0.00 -1.26 -4.91 105.19 104.04 2djb n GLY 7 Ca -0.20 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.34 6.82 -0.31 1.61 3.84 -1.26 -4.95 114.94 116.35 2djb s ASN 8 Ca 0.02 -2.60 -0.01 0.00 0.21 0.00 0.00 52.86 50.47 2djb s ASN 8 Cb -0.01 -2.30 0.10 0.00 -0.55 0.00 0.00 41.25 38.49 2djb s ASN 8 CO 0.80 -0.74 0.11 -0.22 -2.79 0.00 0.00 177.10 174.26 2djb s LEU 9 N 1.10 2.00 -0.31 3.21 2.96 -1.26 -4.98 118.68 121.40 2djb s LEU 9 Ca 0.28 -1.64 0.07 0.00 -0.22 0.00 0.00 54.13 52.62 2djb s LEU 9 Cb -0.07 -0.79 0.46 0.00 0.50 0.00 0.00 46.19 46.28 2djb s LEU 9 CO -0.08 -0.41 1.18 -1.54 -1.32 0.00 0.00 176.35 174.18 2djb n SER 10 N 4.84 4.82 -4.92 3.68 3.41 -1.26 -5.05 113.62 119.14 2djb n SER 10 Ca -0.02 -3.71 -0.30 0.00 -0.26 0.00 0.00 58.87 54.58 2djb n SER 10 Cb 0.42 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 2djb n SER 10 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2djb s GLU 11 N -3.59 3.51 -0.57 4.33 2.56 -1.26 -5.03 118.70 118.64 2djb s GLU 11 Ca 0.50 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 55.19 2djb s GLU 11 Cb 0.41 -2.94 0.38 0.00 2.00 0.00 0.00 34.13 33.98 2djb s GLU 11 CO 0.01 0.53 1.22 1.28 -0.56 0.00 0.00 175.26 177.73 2djb n LEU 12 N 0.02 5.16 -4.61 2.70 4.32 -1.26 -5.07 117.00 118.25 2djb n LEU 12 Ca -0.04 -5.32 -0.36 0.00 -0.02 0.00 0.00 56.01 50.26 2djb n LEU 12 Cb 0.52 -0.61 0.08 0.00 -1.62 0.00 0.00 43.42 41.79 2djb n LEU 12 CO 0.50 2.21 0.53 0.35 -1.22 0.00 0.00 177.39 179.76 2djb n THR 13 N -0.39 3.00 -1.14 -5.08 -2.24 -1.26 -4.98 114.28 102.19 2djb n THR 13 Ca 0.39 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 2djb n THR 13 Cb 0.50 -1.11 0.19 0.00 -2.10 0.00 0.00 70.33 67.82 2djb n THR 13 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2djb s PRO 14 N -3.23 -0.01 0.02 -0.78 0.04 -1.26 -4.99 135.00 124.79 2djb s PRO 14 Ca 0.74 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2djb s PRO 14 Cb -0.36 -1.70 -0.28 0.00 0.04 0.00 0.00 34.50 32.21 2djb s PRO 14 CO 0.50 -3.00 0.94 1.88 0.04 0.00 0.00 177.00 177.36 2djb h TYR 15 N -2.08 0.45 -1.07 0.56 0.05 -2.02 -3.33 116.97 109.54 2djb h TYR 15 Ca -0.53 -0.33 0.38 0.00 0.05 0.00 0.00 58.73 58.30 2djb h TYR 15 Cb 1.33 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.93 2djb h TYR 15 CO -0.21 1.34 0.66 -0.89 -1.05 0.00 0.00 178.16 178.02 2djb n ILE 16 N -3.47 -0.24 -0.77 -2.88 -0.00 -1.26 -4.46 119.36 106.28 2djb n ILE 16 Ca -0.14 1.53 -0.33 0.00 -0.00 0.00 0.00 62.75 63.81 2djb n ILE 16 Cb 1.04 -2.50 0.13 0.00 -0.00 0.00 0.00 39.64 38.31 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2djb n LEU 17 N -4.47 -1.22 -4.99 1.39 4.77 -1.25 -4.19 117.00 107.04 2djb n LEU 17 Ca 0.33 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 56.30 2djb n LEU 17 Cb 1.24 -1.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2djb n LEU 17 CO 0.12 -3.58 0.25 0.00 -1.33 0.00 0.00 177.39 172.85 2djb n SER 19 N -2.08 2.55 -0.10 0.00 2.88 -1.26 -3.49 113.62 112.12 2djb n SER 19 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 2djb n SER 19 Cb 0.59 1.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.97 2djb n SER 19 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2djb n ILE 20 N -2.17 1.54 0.25 2.46 5.41 -1.26 -4.45 119.36 121.14 2djb n ILE 20 Ca -0.11 -0.08 0.07 0.00 1.00 0.00 0.00 62.75 63.64 2djb n ILE 20 Cb 0.61 -2.02 0.12 0.00 -0.71 0.00 0.00 39.64 37.64 2djb n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2djb n LYS 22 N 0.81 -1.36 -4.40 0.00 4.01 -1.23 -4.87 118.16 111.12 2djb n LYS 22 Ca 0.11 0.09 -0.20 0.00 -0.51 0.00 0.00 58.31 57.80 2djb n LYS 22 Cb 0.41 -4.14 -0.10 0.00 -0.51 0.00 0.00 35.03 30.68 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2djb s GLY 23 N -2.63 1.76 0.04 0.72 0.00 -1.26 -4.54 107.32 101.41 2djb s GLY 23 Ca 0.52 -1.87 -0.38 0.00 0.00 0.00 0.00 44.72 43.00 2djb s GLY 23 CO 0.64 -1.80 1.30 -1.72 0.00 0.00 0.00 173.10 171.52 2djb n TYR 24 N -0.54 1.33 -1.84 1.90 4.01 -1.26 -3.01 117.16 117.74 2djb n TYR 24 Ca -0.05 0.74 -0.21 0.00 -0.16 0.00 0.00 57.90 58.22 2djb n TYR 24 Cb 0.63 -2.28 -0.07 0.00 -0.31 0.00 0.00 39.34 37.32 2djb n TYR 24 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2djb s LEU 25 N 0.54 2.93 0.17 7.72 1.43 -1.26 -4.77 118.68 125.44 2djb s LEU 25 Ca 0.87 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 2djb s LEU 25 Cb -1.05 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 42.70 2djb s LEU 25 CO 0.51 -3.46 1.80 -0.29 0.23 0.00 0.00 176.35 175.14 2djb h ILE 26 N 7.12 1.01 -1.07 -0.59 6.09 -1.97 -3.26 117.51 124.84 2djb h ILE 26 Ca 0.08 -0.18 -0.43 0.00 -1.37 0.00 0.00 64.86 62.95 2djb h ILE 26 Cb 0.99 0.44 -0.41 0.00 0.47 0.00 0.00 36.82 38.31 2djb h ILE 26 CO 1.12 0.10 -1.01 0.47 -3.07 0.00 0.00 178.15 175.76 2djb n ASP 27 N -4.85 2.78 -2.50 2.19 9.92 -1.26 -4.99 116.55 117.84 2djb n ASP 27 Ca 0.03 -3.03 -0.29 0.00 -0.53 0.00 0.00 54.79 50.98 2djb n ASP 27 Cb 0.10 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 40.07 2djb n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2djb n ALA 28 N -0.32 -2.12 -3.71 2.24 0.00 -1.23 -1.86 120.51 113.52 2djb n ALA 28 Ca 0.21 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 2djb n ALA 28 Cb 0.78 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.44 1.01 0.59 0.00 2.01 0.53 -4.76 115.64 114.59 2djb s THR 29 Ca 0.40 -1.81 -0.20 0.00 0.31 0.00 0.00 61.69 60.39 2djb s THR 29 Cb -0.57 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2djb s THR 29 CO 0.32 -0.77 1.30 -0.89 -0.69 0.00 0.00 174.62 173.89 2djb s THR 30 N 1.16 2.18 -0.57 -0.82 2.01 -1.26 -1.77 115.64 116.57 2djb s THR 30 Ca 0.13 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2djb s THR 30 Cb -0.20 -3.06 0.16 0.00 0.01 0.00 0.00 72.50 69.41 2djb s THR 30 CO -0.15 -0.02 0.39 -0.63 -0.69 0.00 0.00 174.62 173.53 2djb s ILE 31 N -1.39 2.07 0.21 1.82 1.01 0.66 -4.88 121.20 120.70 2djb s ILE 31 Ca 0.77 -3.52 0.13 0.00 0.00 0.00 0.00 60.65 58.03 2djb s ILE 31 Cb -0.37 -2.39 0.21 0.00 0.01 0.00 0.00 42.46 39.92 2djb s ILE 31 CO 0.42 -1.01 0.87 0.41 0.00 0.00 0.00 174.94 175.63 2djb n THR 32 N 2.57 -0.21 -0.07 2.92 -1.04 -1.26 0.74 114.28 117.94 2djb n THR 32 Ca 0.18 1.09 -0.13 0.00 -2.04 0.00 0.00 64.05 63.15 2djb n THR 32 Cb 0.37 -1.78 -0.09 0.00 -1.82 0.00 0.00 70.33 67.02 2djb n THR 32 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2djb h GLU 33 N 0.00 -0.42 -0.09 -2.82 4.57 -1.94 -3.01 114.58 110.87 2djb h GLU 33 Ca 0.47 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.64 2djb h GLU 33 Cb 1.32 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 2djb h GLU 33 CO -0.39 -0.28 -0.25 0.00 -1.18 0.00 0.00 179.01 176.91 2djb n LEU 35 N -1.15 -0.31 -4.77 0.00 7.99 0.23 -4.88 117.00 114.11 2djb n LEU 35 Ca 0.21 -0.07 -0.34 0.00 -0.01 0.00 0.00 56.01 55.79 2djb n LEU 35 Cb 0.76 -1.22 -0.08 0.00 -0.11 0.00 0.00 43.42 42.77 2djb n LEU 35 CO 0.03 0.03 -0.25 -1.00 -1.51 0.00 0.00 177.39 174.69 2djb s HIS 36 N -2.42 3.31 0.04 -1.77 3.76 -1.19 -4.73 115.29 112.28 2djb s HIS 36 Ca 0.27 0.27 0.06 0.00 -0.15 0.00 0.00 55.06 55.52 2djb s HIS 36 Cb -0.16 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2djb s HIS 36 CO 0.34 0.56 -0.16 -0.08 -0.85 0.00 0.00 174.74 174.55 2djb s THR 37 N -1.05 2.97 -0.06 1.30 -1.32 -1.26 0.24 115.64 116.46 2djb s THR 37 Ca 0.18 -1.12 -0.18 0.00 -1.21 0.00 0.00 61.69 59.36 2djb s THR 37 Cb -0.12 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2djb s THR 37 CO 0.08 0.33 0.41 -0.36 -2.21 0.00 0.00 174.62 172.87 2djb s PHE 38 N -0.95 -0.34 0.47 9.09 0.40 -0.73 -4.75 117.98 121.18 2djb s PHE 38 Ca 0.15 0.64 -0.23 0.00 -0.60 0.00 0.00 56.93 56.89 2djb s PHE 38 Cb -0.11 0.17 -0.09 0.00 0.51 0.00 0.00 43.02 43.51 2djb s PHE 38 CO 0.06 -0.39 1.06 0.00 0.70 0.00 0.00 175.22 176.64 2djb h LYS 40 N 1.37 -0.68 -0.53 0.00 1.63 -1.67 0.31 116.57 116.99 2djb h LYS 40 Ca -0.46 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.43 2djb h LYS 40 Cb 1.33 0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 33.07 2djb h LYS 40 CO 0.56 -0.46 0.26 0.77 -3.45 0.00 0.00 179.45 177.13 2djb h SER 41 N -0.71 0.36 0.33 4.20 0.02 -1.90 0.35 113.55 116.20 2djb h SER 41 Ca 0.01 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2djb h SER 41 Cb 0.72 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2djb h SER 41 CO -0.23 0.24 -0.18 0.00 -1.14 0.00 0.00 176.83 175.52 2djb h ILE 43 N -0.48 0.60 -0.86 0.00 6.09 -0.36 0.28 117.51 122.78 2djb h ILE 43 Ca -0.05 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.53 2djb h ILE 43 Cb 0.38 0.60 -0.07 0.00 0.47 0.00 0.00 36.82 38.19 2djb h ILE 43 CO 0.06 0.00 0.51 0.58 -3.07 0.00 0.00 178.15 176.23 2djb h VAL 44 N -0.08 0.95 -0.14 2.19 2.07 -0.30 -0.13 116.25 120.81 2djb h VAL 44 Ca 0.15 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 2djb h VAL 44 Cb 0.30 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2djb h VAL 44 CO -0.34 0.16 -0.50 -0.09 0.02 0.00 0.00 177.57 176.82 2djb h ARG 45 N 0.88 0.38 -0.35 1.57 2.43 0.68 -2.68 114.38 117.28 2djb h ARG 45 Ca 0.41 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2djb h ARG 45 Cb 0.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2djb h ARG 45 CO -0.23 0.80 -0.25 1.25 -1.51 0.00 0.00 179.97 180.03 2djb h HIS 46 N 0.30 0.81 0.00 2.20 2.76 0.75 -2.81 115.15 119.16 2djb h HIS 46 Ca 0.01 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 57.90 2djb h HIS 46 Cb 0.99 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 2djb h HIS 46 CO 0.03 0.89 -0.47 0.74 -1.30 0.00 0.00 177.93 177.82 2djb h PHE 47 N 0.62 0.00 -0.69 5.26 0.04 -0.96 0.61 116.94 121.81 2djb h PHE 47 Ca 0.08 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.86 2djb h PHE 47 Cb 0.75 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 2djb h PHE 47 CO 0.04 0.47 0.46 1.88 -0.60 0.00 0.00 178.31 180.55 2djb h TYR 48 N 0.00 0.85 0.00 -0.55 0.05 -1.21 -3.29 116.97 112.83 2djb h TYR 48 Ca -0.00 0.02 -0.38 0.00 0.05 0.00 0.00 58.73 58.42 2djb h TYR 48 Cb 0.92 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 2djb h TYR 48 CO 0.00 0.53 -2.32 0.66 -1.05 0.00 0.00 178.16 175.98 2djb n TYR 49 N -4.44 0.00 -3.88 4.88 4.01 -1.14 -4.95 117.16 111.64 2djb n TYR 49 Ca 0.07 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.55 2djb n TYR 49 Cb 0.05 -0.87 -0.17 0.00 -0.31 0.00 0.00 39.34 38.04 2djb n TYR 49 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2djb s SER 50 N -6.73 2.26 0.00 7.72 0.01 0.21 -5.01 113.70 112.16 2djb s SER 50 Ca -0.32 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 2djb s SER 50 Cb 0.11 -0.79 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2djb s SER 50 CO 0.47 -0.15 2.47 0.59 0.41 0.00 0.00 173.24 177.03 2djb n ASN 51 N 4.96 5.03 -4.30 2.44 3.02 -1.25 -2.99 115.26 122.17 2djb n ASN 51 Ca -0.11 -2.37 -0.23 0.00 -0.03 0.00 0.00 54.58 51.84 2djb n ASN 51 Cb 0.49 -1.17 -0.09 0.00 -0.61 0.00 0.00 39.78 38.40 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2djb s ARG 52 N 0.47 1.74 -0.16 3.52 0.52 -1.26 -2.66 118.95 121.13 2djb s ARG 52 Ca 0.23 -2.01 -0.14 0.00 -0.52 0.00 0.00 55.73 53.29 2djb s ARG 52 Cb 0.11 -0.69 -0.05 0.00 0.52 0.00 0.00 34.95 34.85 2djb s ARG 52 CO 0.00 -0.33 0.31 0.00 0.02 0.00 0.00 175.30 175.31 2djb n PRO 54 N 3.57 0.49 0.00 0.00 -0.04 -1.26 0.12 135.00 137.88 2djb n PRO 54 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2djb n PRO 54 Cb 0.52 -1.08 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.58 0.05 0.05 0.54 4.81 -1.26 -4.84 118.16 116.93 2djb n LYS 55 Ca 0.02 0.02 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 2djb n LYS 55 Cb 0.01 -0.34 -0.07 0.00 0.02 0.00 0.00 35.03 34.65 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2djb n ASN 57 N -2.59 -2.90 -4.52 0.00 3.02 0.12 -4.95 115.26 103.43 2djb n ASN 57 Ca -0.04 -0.28 -0.33 0.00 -0.03 0.00 0.00 54.58 53.89 2djb n ASN 57 Cb 0.62 -2.51 -0.12 0.00 -0.61 0.00 0.00 39.78 37.16 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2djb s ILE 58 N -3.16 3.48 -1.16 2.41 -4.36 -1.26 -4.70 121.20 112.46 2djb s ILE 58 Ca 0.09 -0.55 -0.23 0.00 -0.26 0.00 0.00 60.65 59.70 2djb s ILE 58 Cb -0.01 -2.42 -0.09 0.00 1.25 0.00 0.00 42.46 41.18 2djb s ILE 58 CO 0.32 0.58 1.93 0.52 0.24 0.00 0.00 174.94 178.52 2djb n VAL 59 N 2.52 1.94 -2.20 8.37 0.31 -1.26 -2.43 118.33 125.58 2djb n VAL 59 Ca -0.18 -1.99 -0.31 0.00 -0.01 0.00 0.00 64.34 61.85 2djb n VAL 59 Cb 0.53 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.23 2djb n VAL 59 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2djb s VAL 60 N 10.52 3.59 -1.02 2.52 1.01 -1.09 -4.90 120.40 131.03 2djb s VAL 60 Ca 0.67 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2djb s VAL 60 Cb 0.01 -4.32 0.22 0.00 0.00 0.00 0.00 36.38 32.29 2djb s VAL 60 CO 0.14 -1.23 1.06 -2.28 0.00 0.00 0.00 175.10 172.78 2djb s HIS 61 N 8.62 3.83 0.35 5.22 2.46 -1.26 -4.88 115.29 129.62 2djb s HIS 61 Ca 0.63 -2.20 0.09 0.00 0.47 0.00 0.00 55.06 54.05 2djb s HIS 61 Cb -0.05 -3.98 -0.06 0.00 -0.13 0.00 0.00 32.58 28.36 2djb s HIS 61 CO -0.03 -1.11 -0.05 1.14 -2.47 0.00 0.00 174.74 172.22 2djb s GLN 62 N 0.21 1.91 -0.84 2.88 1.03 -1.26 -5.08 119.66 118.52 2djb s GLN 62 Ca 0.29 -1.90 -0.24 0.00 0.04 0.00 0.00 55.36 53.55 2djb s GLN 62 Cb -0.08 -1.77 0.06 0.00 0.03 0.00 0.00 33.01 31.25 2djb s GLN 62 CO -0.07 0.11 1.25 0.95 -2.54 0.00 0.00 175.29 175.00 2djb s THR 63 N -2.59 4.03 -0.03 3.63 -4.23 -1.26 -4.99 115.64 110.19 2djb s THR 63 Ca 0.34 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2djb s THR 63 Cb 0.03 -4.90 -0.04 0.00 1.34 0.00 0.00 72.50 68.93 2djb s THR 63 CO 0.18 -1.76 1.18 0.00 -0.54 0.00 0.00 174.62 173.67 2djb s GLN 64 N 4.78 4.38 -1.07 3.99 -2.07 -1.26 -4.93 119.66 123.48 2djb s GLN 64 Ca 0.36 1.66 -0.23 0.00 -1.82 0.00 0.00 55.36 55.32 2djb s GLN 64 Cb -0.07 -3.51 -0.07 0.00 -1.09 0.00 0.00 33.01 28.27 2djb s GLN 64 CO 0.03 -0.38 1.94 -1.25 -1.32 0.00 0.00 175.29 174.31 2djb s PRO 65 N 1.92 2.52 -0.58 9.60 0.04 -1.26 -4.90 135.00 142.34 2djb s PRO 65 Ca 0.56 -0.81 -0.27 0.00 0.04 0.00 0.00 61.00 60.52 2djb s PRO 65 Cb -0.25 -5.17 -0.10 0.00 0.04 0.00 0.00 34.50 29.02 2djb s PRO 65 CO 0.23 -3.73 2.46 -0.11 0.04 0.00 0.00 177.00 175.90 2djb n LEU 66 N 14.20 1.95 -4.03 -3.56 7.94 -1.26 -4.88 117.00 127.36 2djb n LEU 66 Ca 0.43 -0.44 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 2djb n LEU 66 Cb 0.47 -1.48 -0.11 0.00 0.53 0.00 0.00 43.42 42.83 2djb n LEU 66 CO 0.64 -1.48 -0.03 -0.44 -1.11 0.00 0.00 177.39 174.97 2djb s SER 67 N 11.65 4.90 0.00 1.96 0.01 -1.26 -5.00 113.70 125.96 2djb s SER 67 Ca 1.04 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 55.30 2djb s SER 67 Cb -0.35 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2djb s SER 67 CO 0.29 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2djb n GLY 68 N 3.22 -0.95 3.77 3.44 0.00 -1.26 -5.16 105.19 108.25 2djb n GLY 68 Ca 0.08 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2djb n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djb s PRO 69 N -0.22 2.96 -0.17 1.61 0.04 -1.26 -5.01 135.00 132.95 2djb s PRO 69 Ca 0.00 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 2djb s PRO 69 Cb 0.00 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2djb s PRO 69 CO 0.00 -1.14 -0.23 0.43 0.04 0.00 0.00 177.00 176.11 2djb n SER 70 N -2.11 1.27 -1.83 6.66 7.64 -1.26 -4.61 113.62 119.39 2djb n SER 70 Ca 0.11 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 60.09 2djb n SER 70 Cb 0.52 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 2djb n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2djb n SER 71 N -3.82 5.91 0.00 6.43 7.64 -1.26 -5.28 113.62 123.24 2djb n SER 71 Ca -0.32 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2djb n SER 71 Cb 0.71 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64