#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 2.45 -0.01 1.61 0.01 -1.26 -5.14 113.70 111.36 2djb s SER 2 Ca 0.00 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.36 2djb s SER 2 Cb 0.00 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.17 2djb s SER 2 CO 0.00 0.09 0.99 -0.94 0.41 0.00 0.00 173.24 173.80 2djb s SER 3 N -1.58 -0.26 0.00 2.44 1.04 -1.26 -5.19 113.70 108.89 2djb s SER 3 Ca 0.06 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2djb s SER 3 Cb -0.09 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2djb s SER 3 CO 0.03 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2djb n GLY 4 N -0.28 2.77 3.43 7.32 0.00 -1.26 -5.12 105.19 112.05 2djb n GLY 4 Ca -0.07 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 2djb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djb s SER 5 N 0.00 5.58 -0.16 1.61 0.15 -1.26 -4.96 113.70 114.66 2djb s SER 5 Ca 0.00 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 2djb s SER 5 Cb 0.00 -2.01 -0.23 0.00 -1.71 0.00 0.00 66.02 62.07 2djb s SER 5 CO 0.00 -0.23 0.46 0.28 1.20 0.00 0.00 173.24 174.95 2djb h SER 6 N 8.36 0.11 -4.39 5.45 0.02 -2.09 -3.47 113.55 117.55 2djb h SER 6 Ca -0.31 -0.74 -0.51 0.00 -0.84 0.00 0.00 61.79 59.40 2djb h SER 6 Cb 1.14 -0.04 0.07 0.00 0.14 0.00 0.00 62.40 63.71 2djb h SER 6 CO 0.62 1.40 0.42 -0.83 -1.14 0.00 0.00 176.83 177.30 2djb s GLY 7 N -4.73 1.65 0.20 -3.77 0.00 -1.26 -5.09 107.32 94.33 2djb s GLY 7 Ca -0.24 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2djb s GLY 7 CO 0.67 0.15 0.07 0.54 0.00 0.00 0.00 173.10 174.53 2djb s ASN 8 N -4.21 0.91 -0.07 1.64 4.22 -1.26 -5.14 114.94 111.02 2djb s ASN 8 Ca 0.56 -1.30 -0.21 0.00 -2.14 0.00 0.00 52.86 49.77 2djb s ASN 8 Cb -0.11 0.20 -0.04 0.00 1.28 0.00 0.00 41.25 42.58 2djb s ASN 8 CO 0.54 -0.70 0.60 -1.48 -2.04 0.00 0.00 177.10 174.01 2djb s LEU 9 N -3.21 4.32 -0.49 3.54 2.34 -1.26 -5.02 118.68 118.90 2djb s LEU 9 Ca 0.32 1.04 0.04 0.00 0.06 0.00 0.00 54.13 55.59 2djb s LEU 9 Cb 0.07 -2.91 0.17 0.00 -0.56 0.00 0.00 46.19 42.96 2djb s LEU 9 CO 0.09 -0.03 0.37 -0.44 -1.06 0.00 0.00 176.35 175.28 2djb s SER 10 N 0.55 2.44 -0.29 1.48 0.01 -1.26 -5.04 113.70 111.59 2djb s SER 10 Ca 0.32 -3.24 0.01 0.00 1.31 0.00 0.00 55.95 54.36 2djb s SER 10 Cb -0.17 -0.77 0.18 0.00 0.21 0.00 0.00 66.02 65.47 2djb s SER 10 CO 0.15 -0.15 0.53 -1.61 0.41 0.00 0.00 173.24 172.57 2djb s GLU 11 N -0.31 0.51 -0.43 12.44 2.02 -1.26 -5.10 118.70 126.56 2djb s GLU 11 Ca 0.30 0.65 -0.27 0.00 0.02 0.00 0.00 54.97 55.67 2djb s GLU 11 Cb -0.00 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2djb s GLU 11 CO -0.18 -0.83 2.23 -0.51 0.02 0.00 0.00 175.26 176.00 2djb s LEU 12 N 2.75 3.40 0.06 1.80 1.43 -1.26 -4.94 118.68 121.93 2djb s LEU 12 Ca 0.14 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2djb s LEU 12 Cb -0.13 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2djb s LEU 12 CO -0.23 -2.50 -0.11 0.42 0.23 0.00 0.00 176.35 174.15 2djb s THR 13 N 10.41 0.87 -1.03 5.49 -4.23 -1.26 -5.07 115.64 120.82 2djb s THR 13 Ca 0.92 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 60.00 2djb s THR 13 Cb -0.20 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 2djb s THR 13 CO 0.28 -0.28 1.94 -2.16 -0.54 0.00 0.00 174.62 173.86 2djb s PRO 14 N -1.64 2.54 -0.63 3.99 0.04 -1.26 -4.90 135.00 133.15 2djb s PRO 14 Ca -0.05 -0.68 -0.28 0.00 0.04 0.00 0.00 61.00 60.03 2djb s PRO 14 Cb -0.10 -5.14 -0.12 0.00 0.04 0.00 0.00 34.50 29.18 2djb s PRO 14 CO 0.01 -3.63 2.48 0.66 0.04 0.00 0.00 177.00 176.56 2djb n TYR 15 N 14.11 1.19 -1.84 0.56 4.02 -1.26 -4.82 117.16 129.12 2djb n TYR 15 Ca 0.42 0.20 -0.36 0.00 -0.01 0.00 0.00 57.90 58.15 2djb n TYR 15 Cb 0.47 -2.56 -0.03 0.00 -0.02 0.00 0.00 39.34 37.20 2djb n TYR 15 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2djb s ILE 16 N 10.81 3.21 0.36 -0.72 1.01 -1.26 -4.88 121.20 129.74 2djb s ILE 16 Ca 1.10 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.77 2djb s ILE 16 Cb -0.56 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.38 2djb s ILE 16 CO 0.35 -0.54 0.61 -0.76 0.00 0.00 0.00 174.94 174.60 2djb s LEU 17 N 10.51 0.57 0.36 2.97 1.43 -1.26 -4.74 118.68 128.52 2djb s LEU 17 Ca 0.80 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2djb s LEU 17 Cb -0.14 2.08 -0.03 0.00 0.03 0.00 0.00 46.19 48.12 2djb s LEU 17 CO 0.21 -1.47 0.23 0.00 0.23 0.00 0.00 176.35 175.56 2djb n SER 19 N -1.30 1.41 -0.03 0.00 7.64 -1.26 -3.57 113.62 116.51 2djb n SER 19 Ca -0.01 -0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 2djb n SER 19 Cb 0.61 0.76 -0.00 0.00 -1.01 0.00 0.00 64.21 64.57 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2djb h ILE 20 N 0.00 0.00 0.00 0.44 2.04 -1.96 -3.40 117.51 114.63 2djb h ILE 20 Ca -0.41 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2djb h ILE 20 Cb 1.90 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2djb h ILE 20 CO 0.01 0.00 -0.84 0.00 0.00 0.00 0.00 178.15 177.32 2djb n LYS 22 N -2.78 -6.82 0.00 0.00 4.76 -1.23 -4.97 118.16 107.11 2djb n LYS 22 Ca 0.00 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 2djb n LYS 22 Cb 0.57 -5.82 0.00 0.00 -1.84 0.00 0.00 35.03 27.94 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 6.50 3.67 0.72 0.00 -1.26 -4.64 105.19 108.79 2djb n GLY 23 Ca -0.21 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 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 1.16 3.40 -1.00 1.61 2.02 -1.26 -2.52 117.35 120.76 2djb s TYR 24 Ca 0.00 0.81 -0.24 0.00 -0.37 0.00 0.00 57.07 57.27 2djb s TYR 24 Cb 0.00 -2.66 -0.09 0.00 -0.40 0.00 0.00 41.96 38.81 2djb s TYR 24 CO 0.00 -0.05 2.03 -0.51 -1.57 0.00 0.00 175.55 175.45 2djb s LEU 25 N 1.45 2.99 0.27 -1.29 1.43 -1.26 -4.75 118.68 117.51 2djb s LEU 25 Ca 0.25 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2djb s LEU 25 Cb -0.15 -2.57 0.34 0.00 0.03 0.00 0.00 46.19 43.84 2djb s LEU 25 CO 0.10 -3.27 1.91 -0.29 0.23 0.00 0.00 176.35 175.04 2djb h ILE 26 N 6.91 1.23 0.00 -0.59 6.09 -2.00 -3.27 117.51 125.89 2djb h ILE 26 Ca 0.11 -0.52 -0.30 0.00 -1.37 0.00 0.00 64.86 62.79 2djb h ILE 26 Cb 0.98 0.04 -0.05 0.00 0.47 0.00 0.00 36.82 38.26 2djb h ILE 26 CO 1.16 0.25 -2.12 0.47 -3.07 0.00 0.00 178.15 174.84 2djb n ASP 27 N -4.37 1.96 -3.18 2.19 9.92 -1.26 -5.04 116.55 116.77 2djb n ASP 27 Ca 0.09 -0.07 -0.15 0.00 -0.53 0.00 0.00 54.79 54.14 2djb n ASP 27 Cb 0.07 0.13 0.07 0.00 -0.64 0.00 0.00 41.12 40.75 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 -2.90 -2.11 -2.67 2.24 0.00 -1.23 -4.91 120.51 108.93 2djb n ALA 28 Ca -0.32 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2djb n ALA 28 Cb 0.93 -3.86 -0.04 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.35 4.91 0.11 0.00 2.01 -1.23 -4.90 115.64 113.19 2djb s THR 29 Ca 0.21 1.55 0.07 0.00 0.31 0.00 0.00 61.69 63.83 2djb s THR 29 Cb -0.03 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2djb s THR 29 CO 0.68 0.06 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.67 2djb s THR 30 N 2.02 3.31 0.42 -0.82 2.01 -1.26 -0.73 115.64 120.59 2djb s THR 30 Ca 0.37 -1.29 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 2djb s THR 30 Cb -0.17 -2.55 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 2djb s THR 30 CO 0.12 0.11 0.97 -0.63 -0.69 0.00 0.00 174.62 174.50 2djb s ILE 31 N -1.21 4.22 -2.47 1.82 1.01 -0.60 -4.90 121.20 119.07 2djb s ILE 31 Ca 0.21 1.46 0.24 0.00 0.00 0.00 0.00 60.65 62.56 2djb s ILE 31 Cb -0.11 -3.64 0.44 0.00 0.01 0.00 0.00 42.46 39.17 2djb s ILE 31 CO 0.13 -0.22 1.54 0.41 0.00 0.00 0.00 174.94 176.80 2djb n THR 32 N -0.50 0.17 0.00 2.92 -1.04 -1.26 -2.73 114.28 111.84 2djb n THR 32 Ca 0.07 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2djb n THR 32 Cb 0.53 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 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 0.60 0.00 0.04 -2.82 0.00 -1.26 -4.72 120.64 112.49 2djb n GLU 33 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.46 2djb n GLU 33 Cb 0.42 -0.31 0.38 0.00 0.00 0.00 0.00 31.44 31.92 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 -1.82 -4.01 -4.57 0.00 7.99 -1.11 -5.02 117.00 108.46 2djb n LEU 35 Ca 0.05 -0.55 -0.33 0.00 -0.01 0.00 0.00 56.01 55.17 2djb n LEU 35 Cb 0.38 -2.78 -0.11 0.00 -0.11 0.00 0.00 43.42 40.80 2djb n LEU 35 CO 0.32 0.28 -0.39 -1.00 -1.51 0.00 0.00 177.39 175.09 2djb s HIS 36 N -3.31 2.90 -0.08 -1.77 3.76 -1.26 -4.82 115.29 110.71 2djb s HIS 36 Ca 0.07 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.72 2djb s HIS 36 Cb -0.01 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2djb s HIS 36 CO 0.63 0.32 0.80 0.99 -0.85 0.00 0.00 174.74 176.63 2djb s THR 37 N -0.83 4.96 -0.22 1.30 2.01 -1.26 -1.56 115.64 120.04 2djb s THR 37 Ca 0.13 1.64 -0.06 0.00 0.31 0.00 0.00 61.69 63.71 2djb s THR 37 Cb -0.11 -4.13 0.11 0.00 0.01 0.00 0.00 72.50 68.37 2djb s THR 37 CO 0.02 0.17 0.44 -0.36 -0.69 0.00 0.00 174.62 174.20 2djb s PHE 38 N 1.23 -0.88 0.03 4.92 0.08 0.09 -4.80 117.98 118.64 2djb s PHE 38 Ca 0.41 1.46 -0.34 0.00 0.12 0.00 0.00 56.93 58.59 2djb s PHE 38 Cb -0.18 0.30 -0.17 0.00 -0.57 0.00 0.00 43.02 42.40 2djb s PHE 38 CO 0.19 -0.56 0.86 0.00 -0.10 0.00 0.00 175.22 175.60 2djb h LYS 40 N 2.32 -0.05 -0.45 0.00 3.11 -1.91 0.29 116.57 119.88 2djb h LYS 40 Ca -0.41 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 2djb h LYS 40 Cb 1.28 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 2djb h LYS 40 CO 0.56 -0.03 0.26 0.77 -2.81 0.00 0.00 179.45 178.20 2djb h SER 41 N -0.05 0.55 0.34 4.20 0.02 -1.98 -1.31 113.55 115.32 2djb h SER 41 Ca 0.34 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2djb h SER 41 Cb 0.59 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2djb h SER 41 CO -0.83 0.47 -0.18 0.00 -1.14 0.00 0.00 176.83 175.15 2djb h ILE 43 N -0.48 0.41 -0.14 0.00 6.09 -0.62 0.68 117.51 123.44 2djb h ILE 43 Ca -0.05 -0.13 -0.16 0.00 -1.37 0.00 0.00 64.86 63.16 2djb h ILE 43 Cb 0.37 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 2djb h ILE 43 CO 0.07 0.07 -0.57 0.58 -3.07 0.00 0.00 178.15 175.22 2djb h VAL 44 N 0.38 1.34 0.00 2.19 2.07 -1.06 -1.83 116.25 119.33 2djb h VAL 44 Ca 0.63 -1.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 2djb h VAL 44 Cb 1.28 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2djb h VAL 44 CO -0.56 0.57 -0.59 -0.09 0.02 0.00 0.00 177.57 176.91 2djb h ARG 45 N 0.34 0.00 0.00 1.57 2.43 0.50 -3.00 114.38 116.21 2djb h ARG 45 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2djb h ARG 45 Cb 1.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2djb h ARG 45 CO 0.10 0.59 -0.75 1.25 -1.51 0.00 0.00 179.97 179.65 2djb h HIS 46 N 0.00 0.00 0.00 2.20 2.76 0.21 -3.25 115.15 117.07 2djb h HIS 46 Ca -0.01 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 2djb h HIS 46 Cb 1.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 2djb h HIS 46 CO 0.00 0.65 -0.54 0.74 -1.30 0.00 0.00 177.93 177.48 2djb h PHE 47 N 0.00 0.00 -0.44 5.26 0.04 -1.27 0.36 116.94 120.89 2djb h PHE 47 Ca -0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 2djb h PHE 47 Cb 1.52 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.65 2djb h PHE 47 CO 0.00 0.54 -0.04 1.88 -0.60 0.00 0.00 178.31 180.09 2djb h TYR 48 N 0.00 0.80 0.02 -0.55 0.05 -1.56 -3.30 116.97 112.42 2djb h TYR 48 Ca -0.01 -0.12 -0.39 0.00 0.05 0.00 0.00 58.73 58.26 2djb h TYR 48 Cb 1.18 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.64 2djb h TYR 48 CO 0.00 0.77 -2.31 0.66 -1.05 0.00 0.00 178.16 176.23 2djb n TYR 49 N -4.20 0.30 -3.97 4.88 4.01 -1.20 -4.89 117.16 112.09 2djb n TYR 49 Ca 0.02 0.08 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 2djb n TYR 49 Cb 0.32 -1.04 -0.16 0.00 -0.31 0.00 0.00 39.34 38.15 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 -6.92 3.64 0.00 7.72 0.01 0.13 -5.01 113.70 113.27 2djb s SER 50 Ca -0.34 -1.04 -0.03 0.00 1.31 0.00 0.00 55.95 55.85 2djb s SER 50 Cb 0.10 -1.20 -0.16 0.00 0.21 0.00 0.00 66.02 64.97 2djb s SER 50 CO 0.59 -0.19 2.59 -3.20 0.41 0.00 0.00 173.24 173.44 2djb n ASN 51 N 4.68 4.13 -3.33 2.44 5.15 -1.24 -3.46 115.26 123.63 2djb n ASN 51 Ca -0.13 -2.23 -0.14 0.00 -0.60 0.00 0.00 54.58 51.48 2djb n ASN 51 Cb 0.45 -1.05 -0.04 0.00 -0.53 0.00 0.00 39.78 38.60 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2djb s ARG 52 N 1.17 1.86 -0.20 1.20 0.52 -1.26 -2.95 118.95 119.29 2djb s ARG 52 Ca 0.39 -1.73 -0.15 0.00 -0.52 0.00 0.00 55.73 53.72 2djb s ARG 52 Cb 0.19 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 36.05 2djb s ARG 52 CO 0.00 -0.76 0.36 0.00 0.02 0.00 0.00 175.30 174.91 2djb n PRO 54 N 4.35 0.49 0.00 0.00 -0.04 -1.26 0.06 135.00 138.60 2djb n PRO 54 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 -0.47 0.00 0.00 0.54 4.81 -1.26 -4.80 118.16 116.98 2djb n LYS 55 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 2djb n LYS 55 Cb 0.01 -0.13 0.30 0.00 0.02 0.00 0.00 35.03 35.22 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 -0.99 -3.20 -4.35 0.00 4.13 0.11 -4.97 115.26 105.98 2djb n ASN 57 Ca 0.09 -0.56 -0.32 0.00 1.68 0.00 0.00 54.58 55.47 2djb n ASN 57 Cb 0.35 -4.53 -0.15 0.00 -1.54 0.00 0.00 39.78 33.90 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 -3.32 2.44 -0.32 2.41 -4.36 -1.25 -4.72 121.20 112.08 2djb s ILE 58 Ca 0.12 -0.94 -0.29 0.00 -0.26 0.00 0.00 60.65 59.28 2djb s ILE 58 Cb -0.02 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 2djb s ILE 58 CO 0.63 0.58 1.70 0.54 0.24 0.00 0.00 174.94 178.63 2djb s VAL 59 N -0.44 3.58 -0.29 8.37 0.11 -1.26 -0.06 120.40 130.41 2djb s VAL 59 Ca 0.05 0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2djb s VAL 59 Cb -0.12 -3.75 -0.01 0.00 -1.53 0.00 0.00 36.38 30.97 2djb s VAL 59 CO 0.01 -0.45 0.11 -0.69 -3.33 0.00 0.00 175.10 170.75 2djb s VAL 60 N 6.34 4.38 -0.88 2.04 1.01 -1.15 -4.96 120.40 127.18 2djb s VAL 60 Ca 0.75 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 2djb s VAL 60 Cb -0.21 -3.19 0.24 0.00 0.00 0.00 0.00 36.38 33.22 2djb s VAL 60 CO 0.33 0.14 0.92 0.00 0.00 0.00 0.00 175.10 176.49 2djb n HIS 61 N 4.94 3.72 -3.64 5.22 1.44 -1.26 -4.74 115.22 120.89 2djb n HIS 61 Ca -0.15 -3.84 -0.02 0.00 -2.01 0.00 0.00 57.72 51.70 2djb n HIS 61 Cb 0.49 -1.03 -0.05 0.00 0.12 0.00 0.00 29.99 29.53 2djb n HIS 61 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2djb s GLN 62 N -1.91 0.60 -0.17 -1.40 -2.07 -1.26 -5.07 119.66 108.38 2djb s GLN 62 Ca 0.31 1.38 -0.19 0.00 -1.82 0.00 0.00 55.36 55.04 2djb s GLN 62 Cb 0.00 0.69 -0.16 0.00 -1.09 0.00 0.00 33.01 32.45 2djb s GLN 62 CO -0.06 -0.18 0.25 1.15 -1.32 0.00 0.00 175.29 175.13 2djb h THR 63 N 5.74 0.88 -2.68 3.63 2.02 -2.05 -3.49 112.91 116.96 2djb h THR 63 Ca -0.21 -1.91 -0.08 0.00 0.77 0.00 0.00 66.41 64.98 2djb h THR 63 Cb 1.13 1.90 -0.18 0.00 -1.74 0.00 0.00 68.15 69.26 2djb h THR 63 CO 0.11 0.30 -0.05 0.00 0.37 0.00 0.00 175.52 176.25 2djb s GLN 64 N -2.24 0.90 0.22 6.66 -2.07 -1.26 -5.12 119.66 116.74 2djb s GLN 64 Ca -0.22 -0.10 -0.30 0.00 -1.82 0.00 0.00 55.36 52.92 2djb s GLN 64 Cb 0.03 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.27 2djb s GLN 64 CO 0.50 -0.29 1.29 -1.25 -1.32 0.00 0.00 175.29 174.22 2djb s PRO 65 N -1.72 4.40 0.34 9.60 0.04 -1.26 -4.91 135.00 141.49 2djb s PRO 65 Ca -0.10 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.12 2djb s PRO 65 Cb -0.02 -3.18 1.02 0.00 0.04 0.00 0.00 34.50 32.36 2djb s PRO 65 CO 0.04 -0.21 1.69 1.37 0.04 0.00 0.00 177.00 179.92 2djb h LEU 66 N 5.08 0.57 -7.82 -3.56 8.10 -2.05 -3.12 115.31 112.51 2djb h LEU 66 Ca -0.45 0.17 -0.70 0.00 0.11 0.00 0.00 57.88 57.01 2djb h LEU 66 Cb 1.22 0.10 -0.12 0.00 -0.44 0.00 0.00 40.66 41.41 2djb h LEU 66 CO 0.75 -0.04 1.83 -0.44 -4.11 0.00 0.00 178.44 176.42 2djb s SER 67 N -5.01 6.91 -0.30 0.17 0.01 -1.26 -4.78 113.70 109.44 2djb s SER 67 Ca -0.10 -2.61 -0.12 0.00 1.31 0.00 0.00 55.95 54.43 2djb s SER 67 Cb 0.29 -2.51 0.18 0.00 0.21 0.00 0.00 66.02 64.20 2djb s SER 67 CO 0.79 -1.02 1.05 -0.83 0.41 0.00 0.00 173.24 173.65 2djb s GLY 68 N 3.72 -0.85 -0.42 3.44 0.00 -1.18 -5.12 107.32 106.90 2djb s GLY 68 Ca 0.49 2.20 -0.28 0.00 0.00 0.00 0.00 44.72 47.13 2djb s GLY 68 CO 0.04 4.08 1.75 2.56 0.00 0.00 0.00 173.10 181.52 2djb s PRO 69 N 2.96 3.18 -0.44 2.90 0.04 -1.26 -4.90 135.00 137.47 2djb s PRO 69 Ca 0.24 1.11 -0.34 0.00 0.04 0.00 0.00 61.00 62.04 2djb s PRO 69 Cb -0.03 -4.22 -0.13 0.00 0.04 0.00 0.00 34.50 30.17 2djb s PRO 69 CO -0.21 -2.05 2.26 0.43 0.04 0.00 0.00 177.00 177.47 2djb n SER 70 N 10.72 1.84 -3.93 6.66 7.64 -1.26 -4.91 113.62 130.38 2djb n SER 70 Ca 0.21 0.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.25 2djb n SER 70 Cb 0.48 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.31 2djb n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2djb s SER 71 N 7.91 0.40 0.00 6.43 0.15 -1.26 -5.34 113.70 121.99 2djb s SER 71 Ca 1.12 -0.06 0.31 0.00 0.70 0.00 0.00 55.95 58.02 2djb s SER 71 Cb -0.88 -0.04 1.79 0.00 -1.71 0.00 0.00 66.02 65.18 2djb s SER 71 CO 0.48 0.04 2.16 0.61 1.20 0.00 0.00 173.24 177.73