#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 -0.84 0.13 1.61 0.15 -1.26 -5.18 113.70 108.32 2djb s SER 2 Ca 0.00 1.30 -0.11 0.00 0.70 0.00 0.00 55.95 57.84 2djb s SER 2 Cb 0.00 1.50 0.01 0.00 -1.71 0.00 0.00 66.02 65.81 2djb s SER 2 CO 0.00 -0.20 0.30 -0.55 1.20 0.00 0.00 173.24 173.99 2djb s SER 3 N 1.80 -0.02 0.00 5.45 0.15 -1.26 -5.10 113.70 114.72 2djb s SER 3 Ca -0.09 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2djb s SER 3 Cb -0.06 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2djb s SER 3 CO -0.18 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.02 2djb n GLY 4 N -0.18 -1.76 2.99 9.45 0.00 -1.26 -5.17 105.19 109.26 2djb n GLY 4 Ca -0.12 0.71 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 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 1.10 0.23 1.61 0.15 -1.26 -5.15 113.70 110.39 2djb s SER 5 Ca 0.00 -0.17 -0.21 0.00 0.70 0.00 0.00 55.95 56.27 2djb s SER 5 Cb 0.00 -0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 2djb s SER 5 CO 0.00 0.06 0.64 -0.94 1.20 0.00 0.00 173.24 174.21 2djb s SER 6 N 0.16 -0.35 -0.28 5.45 1.04 -1.26 -5.15 113.70 113.31 2djb s SER 6 Ca -0.02 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2djb s SER 6 Cb -0.08 0.66 0.16 0.00 0.10 0.00 0.00 66.02 66.86 2djb s SER 6 CO 0.00 -1.18 0.44 -0.83 0.98 0.00 0.00 173.24 172.66 2djb s GLY 7 N -2.86 -0.65 -0.19 7.32 0.00 -1.26 -5.12 107.32 104.56 2djb s GLY 7 Ca 0.08 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 2djb s GLY 7 CO -0.01 3.03 0.33 0.21 0.00 0.00 0.00 173.10 176.66 2djb s ASN 8 N 2.61 0.29 -0.02 1.64 3.84 -1.26 -5.14 114.94 116.90 2djb s ASN 8 Ca 0.12 0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.69 2djb s ASN 8 Cb -0.14 0.95 0.02 0.00 -0.55 0.00 0.00 41.25 41.54 2djb s ASN 8 CO -0.24 -0.27 0.02 -0.76 -2.79 0.00 0.00 177.10 173.07 2djb s LEU 9 N 2.49 1.31 -0.30 3.21 1.43 -1.26 -5.13 118.68 120.44 2djb s LEU 9 Ca 0.04 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2djb s LEU 9 Cb -0.13 -0.08 0.18 0.00 0.03 0.00 0.00 46.19 46.19 2djb s LEU 9 CO -0.12 -0.09 1.14 -0.44 0.23 0.00 0.00 176.35 177.07 2djb s SER 10 N 0.80 -0.27 0.00 2.29 0.01 -1.26 -5.06 113.70 110.22 2djb s SER 10 Ca -0.07 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2djb s SER 10 Cb -0.10 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2djb s SER 10 CO -0.02 -0.06 0.00 -1.84 0.41 0.00 0.00 173.24 171.73 2djb n GLU 11 N 3.89 2.79 -3.64 12.44 0.00 -1.26 -5.09 120.64 129.76 2djb n GLU 11 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.97 2djb n GLU 11 Cb 0.56 -0.99 -0.06 0.00 0.00 0.00 0.00 31.44 30.95 2djb n GLU 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2djb s LEU 12 N -4.22 -0.17 -0.01 -1.84 2.96 -1.26 -5.17 118.68 108.96 2djb s LEU 12 Ca 0.00 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2djb s LEU 12 Cb 0.00 1.36 0.02 0.00 0.50 0.00 0.00 46.19 48.07 2djb s LEU 12 CO 0.00 -0.09 0.01 0.42 -1.32 0.00 0.00 176.35 175.37 2djb s THR 13 N -0.27 0.01 0.19 3.68 -4.23 -1.26 -5.16 115.64 108.59 2djb s THR 13 Ca 0.06 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2djb s THR 13 Cb -0.04 -0.08 0.05 0.00 1.34 0.00 0.00 72.50 73.77 2djb s THR 13 CO -0.10 0.06 0.17 -0.81 -0.54 0.00 0.00 174.62 173.40 2djb n PRO 14 N 3.70 -1.36 -1.26 3.99 -0.04 -1.26 -4.84 135.00 133.94 2djb n PRO 14 Ca -0.21 -0.27 -0.36 0.00 -0.04 0.00 0.00 63.50 62.62 2djb n PRO 14 Cb 0.54 -0.25 -0.02 0.00 -0.04 0.00 0.00 33.50 33.73 2djb n PRO 14 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2djb n TYR 15 N -2.88 2.38 -0.04 0.54 0.18 -1.26 -4.55 117.16 111.53 2djb n TYR 15 Ca 0.02 -2.78 -0.16 0.00 1.88 0.00 0.00 57.90 56.86 2djb n TYR 15 Cb 0.09 -2.30 -0.07 0.00 -0.38 0.00 0.00 39.34 36.68 2djb n TYR 15 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 2djb h ILE 16 N 3.34 1.33 -2.93 -3.48 2.04 -1.96 -3.45 117.51 112.40 2djb h ILE 16 Ca 0.72 -1.80 -0.43 0.00 1.00 0.00 0.00 64.86 64.35 2djb h ILE 16 Cb 0.34 2.01 0.22 0.00 -0.74 0.00 0.00 36.82 38.65 2djb h ILE 16 CO 1.75 0.56 -0.24 0.18 0.00 0.00 0.00 178.15 180.39 2djb n LEU 17 N -4.15 -1.95 -4.94 1.44 4.77 -1.26 -3.96 117.00 106.96 2djb n LEU 17 Ca -0.07 -0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.47 2djb n LEU 17 Cb 0.62 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 2djb n LEU 17 CO 0.48 -3.41 0.06 0.00 -1.33 0.00 0.00 177.39 173.19 2djb n SER 19 N -1.66 2.02 -0.00 0.00 3.41 -1.26 -3.58 113.62 112.54 2djb n SER 19 Ca 0.05 -0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2djb n SER 19 Cb 0.60 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2djb h ILE 20 N 0.01 0.00 0.00 -1.33 2.04 -1.95 -3.38 117.51 112.91 2djb h ILE 20 Ca -0.54 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2djb h ILE 20 Cb 1.93 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2djb h ILE 20 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.11 2djb n LYS 22 N -2.88 -6.25 0.00 0.00 4.76 -1.23 -4.94 118.16 107.61 2djb n LYS 22 Ca 0.01 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2djb n LYS 22 Cb 0.29 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 27.88 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 -1.77 5.31 3.77 0.72 0.00 -1.26 -4.58 105.19 107.39 2djb n GLY 23 Ca 0.01 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 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 1.37 3.82 0.38 1.61 1.51 -1.26 -0.75 117.35 124.03 2djb s TYR 24 Ca 0.00 1.47 -0.24 0.00 -1.01 0.00 0.00 57.07 57.29 2djb s TYR 24 Cb 0.00 -2.71 -0.09 0.00 -0.11 0.00 0.00 41.96 39.05 2djb s TYR 24 CO 0.00 0.45 1.02 -0.51 -1.11 0.00 0.00 175.55 175.40 2djb s LEU 25 N -0.74 4.19 -0.03 -1.29 1.43 -1.25 -4.92 118.68 116.06 2djb s LEU 25 Ca 0.35 1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 55.36 2djb s LEU 25 Cb -0.21 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2djb s LEU 25 CO 0.23 -0.36 -0.10 -0.38 0.23 0.00 0.00 176.35 175.96 2djb n ILE 26 N 0.09 0.75 0.06 -0.59 2.08 -1.26 -4.82 119.36 115.68 2djb n ILE 26 Ca 0.04 0.27 -0.17 0.00 0.56 0.00 0.00 62.75 63.45 2djb n ILE 26 Cb 0.50 -1.67 -0.14 0.00 -0.75 0.00 0.00 39.64 37.58 2djb n ILE 26 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 2djb h ASP 27 N -0.29 0.38 -4.11 4.38 3.58 -1.93 -3.49 116.42 114.94 2djb h ASP 27 Ca 0.00 -0.53 -0.15 0.00 0.42 0.00 0.00 57.03 56.77 2djb h ASP 27 Cb 0.29 -0.12 0.10 0.00 1.72 0.00 0.00 39.33 41.32 2djb h ASP 27 CO 0.00 1.44 -0.43 0.00 -2.88 0.00 0.00 179.24 177.37 2djb n ALA 28 N -2.66 -1.31 -1.77 -0.78 0.00 -1.23 -4.97 120.51 107.79 2djb n ALA 28 Ca -0.16 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2djb n ALA 28 Cb 1.04 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 2djb n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2djb s THR 29 N -3.20 3.99 0.03 0.00 -1.32 0.23 -4.80 115.64 110.58 2djb s THR 29 Ca 0.12 1.81 0.06 0.00 -1.21 0.00 0.00 61.69 62.47 2djb s THR 29 Cb -0.02 -4.07 -0.02 0.00 -1.51 0.00 0.00 72.50 66.88 2djb s THR 29 CO 0.39 0.28 -0.17 -0.89 -2.21 0.00 0.00 174.62 172.02 2djb s THR 30 N -1.40 1.33 -0.80 5.08 2.01 -1.26 0.35 115.64 120.95 2djb s THR 30 Ca 0.47 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2djb s THR 30 Cb -0.24 -1.17 0.20 0.00 0.01 0.00 0.00 72.50 71.31 2djb s THR 30 CO 0.30 0.15 0.66 -0.63 -0.69 0.00 0.00 174.62 174.41 2djb s ILE 31 N -0.73 4.08 0.12 1.82 1.01 -1.16 -4.93 121.20 121.40 2djb s ILE 31 Ca 0.05 -3.64 0.02 0.00 0.00 0.00 0.00 60.65 57.08 2djb s ILE 31 Cb -0.08 -3.57 0.15 0.00 0.01 0.00 0.00 42.46 38.97 2djb s ILE 31 CO 0.01 -1.02 0.56 0.41 0.00 0.00 0.00 174.94 174.90 2djb n THR 32 N 2.63 -0.15 -0.25 2.92 -1.04 -1.26 0.67 114.28 117.80 2djb n THR 32 Ca 0.17 0.78 0.01 0.00 -2.04 0.00 0.00 64.05 62.98 2djb n THR 32 Cb 0.37 -1.16 0.06 0.00 -1.82 0.00 0.00 70.33 67.78 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 -4.23 -0.12 0.00 -2.82 4.07 -1.26 -1.24 120.64 115.04 2djb n GLU 33 Ca 0.09 1.03 0.01 0.00 -0.06 0.00 0.00 57.16 58.24 2djb n GLU 33 Cb 0.31 -1.54 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2djb n LEU 35 N -0.91 -3.62 -4.91 0.00 4.77 0.76 -5.02 117.00 108.07 2djb n LEU 35 Ca 0.01 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.25 2djb n LEU 35 Cb 0.05 -2.56 -0.00 0.00 -2.33 0.00 0.00 43.42 38.58 2djb n LEU 35 CO 0.06 0.29 0.06 -1.00 -1.33 0.00 0.00 177.39 175.47 2djb s HIS 36 N -3.28 1.66 -0.02 -1.77 3.76 -1.25 -4.91 115.29 109.48 2djb s HIS 36 Ca 0.01 -0.82 0.05 0.00 -0.15 0.00 0.00 55.06 54.15 2djb s HIS 36 Cb -0.00 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 2djb s HIS 36 CO 0.57 -0.50 -0.18 0.99 -0.85 0.00 0.00 174.74 174.78 2djb s THR 37 N -2.75 1.42 0.18 1.30 2.01 -1.26 -2.98 115.64 113.55 2djb s THR 37 Ca 0.36 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 2djb s THR 37 Cb -0.02 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.32 2djb s THR 37 CO 0.23 0.40 0.45 -0.36 -0.69 0.00 0.00 174.62 174.64 2djb s PHE 38 N -0.32 -0.00 0.47 4.92 0.40 0.16 -4.72 117.98 118.89 2djb s PHE 38 Ca 0.05 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2djb s PHE 38 Cb -0.08 0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.69 2djb s PHE 38 CO -0.00 -0.84 0.74 0.00 0.70 0.00 0.00 175.22 175.82 2djb h LYS 40 N 0.28 -0.99 -0.84 0.00 1.63 -1.95 0.26 116.57 114.96 2djb h LYS 40 Ca -0.47 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.37 2djb h LYS 40 Cb 1.23 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 33.05 2djb h LYS 40 CO 0.60 -0.66 0.40 0.77 -3.45 0.00 0.00 179.45 177.11 2djb h SER 41 N -1.03 1.11 0.36 4.20 0.02 -1.96 0.53 113.55 116.78 2djb h SER 41 Ca -0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2djb h SER 41 Cb 0.79 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2djb h SER 41 CO 0.17 0.94 -0.17 0.00 -1.14 0.00 0.00 176.83 176.62 2djb h ILE 43 N -0.58 1.33 -0.20 0.00 6.09 -0.37 0.41 117.51 124.19 2djb h ILE 43 Ca -0.05 -1.59 -0.18 0.00 -1.37 0.00 0.00 64.86 61.67 2djb h ILE 43 Cb 0.43 1.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 2djb h ILE 43 CO 0.08 0.47 -0.62 0.58 -3.07 0.00 0.00 178.15 175.59 2djb h VAL 44 N 0.12 1.31 0.16 2.19 2.07 0.23 -2.99 116.25 119.35 2djb h VAL 44 Ca 0.01 -1.86 -0.28 0.00 0.82 0.00 0.00 66.70 65.39 2djb h VAL 44 Cb 0.84 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2djb h VAL 44 CO 0.06 0.59 -1.36 0.03 0.02 0.00 0.00 177.57 176.92 2djb h ARG 45 N 0.51 0.35 -0.79 1.57 -0.00 -0.11 -3.32 114.38 112.58 2djb h ARG 45 Ca -0.01 -0.59 0.19 0.00 -0.50 0.00 0.00 59.98 59.07 2djb h ARG 45 Cb 1.21 0.22 -0.05 0.00 0.00 0.00 0.00 29.97 31.35 2djb h ARG 45 CO 0.12 1.28 0.54 1.25 0.00 0.00 0.00 179.97 183.17 2djb h HIS 46 N -0.15 0.33 0.00 3.04 2.76 -0.26 0.47 115.15 121.34 2djb h HIS 46 Ca -0.27 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.87 2djb h HIS 46 Cb 1.88 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.73 2djb h HIS 46 CO 0.14 0.10 -0.22 0.74 -1.30 0.00 0.00 177.93 177.39 2djb h PHE 47 N 0.26 0.00 0.00 5.26 0.04 -1.50 0.38 116.94 121.38 2djb h PHE 47 Ca 0.39 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.93 2djb h PHE 47 Cb 1.15 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.31 2djb h PHE 47 CO -0.00 0.22 -0.97 1.88 -0.60 0.00 0.00 178.31 178.85 2djb h TYR 48 N 0.00 0.70 0.09 -0.55 0.05 -0.18 -3.35 116.97 113.74 2djb h TYR 48 Ca -0.00 -0.38 -0.30 0.00 0.05 0.00 0.00 58.73 58.10 2djb h TYR 48 Cb 0.69 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2djb h TYR 48 CO 0.00 1.21 -1.57 1.88 -1.05 0.00 0.00 178.16 178.63 2djb h TYR 49 N 0.27 0.35 -3.87 4.88 0.05 -1.31 -3.48 116.97 113.87 2djb h TYR 49 Ca -0.09 -0.26 -0.26 0.00 0.05 0.00 0.00 58.73 58.17 2djb h TYR 49 Cb 1.61 -0.01 -0.26 0.00 1.01 0.00 0.00 36.73 39.07 2djb h TYR 49 CO 0.07 1.62 -0.73 0.45 -1.05 0.00 0.00 178.16 178.51 2djb s SER 50 N -7.00 0.38 0.20 3.88 0.15 0.13 -5.04 113.70 106.42 2djb s SER 50 Ca -0.23 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.40 2djb s SER 50 Cb 0.05 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2djb s SER 50 CO 0.73 -0.06 1.18 -1.13 1.20 0.00 0.00 173.24 175.16 2djb h ASN 51 N 5.62 0.00 -3.62 5.45 -1.24 -1.76 -3.18 115.58 116.85 2djb h ASN 51 Ca -0.28 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.30 2djb h ASN 51 Cb 1.20 0.00 0.18 0.00 0.73 0.00 0.00 38.32 40.44 2djb h ASN 51 CO 0.48 0.43 0.18 -0.13 -1.29 0.00 0.00 177.43 177.10 2djb s ARG 52 N -3.01 -0.81 0.03 6.67 0.52 -1.26 -3.00 118.95 118.09 2djb s ARG 52 Ca 0.01 -0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.93 2djb s ARG 52 Cb 0.08 -1.65 -0.06 0.00 0.52 0.00 0.00 34.95 33.84 2djb s ARG 52 CO 0.77 -3.43 0.60 0.00 0.02 0.00 0.00 175.30 173.25 2djb n PRO 54 N 2.33 0.49 0.00 0.00 -0.04 -1.26 -0.23 135.00 136.29 2djb n PRO 54 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 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 0.04 0.54 3.00 -1.26 -4.80 118.16 115.21 2djb n LYS 55 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2djb n LYS 55 Cb 0.01 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 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 -1.93 -3.34 -4.58 0.00 5.03 0.68 -4.90 115.26 106.22 2djb n ASN 57 Ca 0.04 -0.56 -0.34 0.00 0.87 0.00 0.00 54.58 54.58 2djb n ASN 57 Cb 0.41 -4.54 -0.11 0.00 -1.02 0.00 0.00 39.78 34.53 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2djb s ILE 58 N -3.32 4.19 -0.78 2.41 -4.36 -1.26 -4.57 121.20 113.52 2djb s ILE 58 Ca 0.13 -0.26 -0.24 0.00 -0.26 0.00 0.00 60.65 60.02 2djb s ILE 58 Cb -0.02 -2.83 -0.16 0.00 1.25 0.00 0.00 42.46 40.71 2djb s ILE 58 CO 0.64 0.52 2.39 0.52 0.24 0.00 0.00 174.94 179.25 2djb n VAL 59 N 3.12 -0.01 -2.73 8.37 0.31 -1.26 -2.17 118.33 123.95 2djb n VAL 59 Ca -0.18 -0.53 -0.42 0.00 -0.01 0.00 0.00 64.34 63.20 2djb n VAL 59 Cb 0.53 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 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 12.51 4.11 0.27 2.52 1.01 -1.16 -4.97 120.40 134.69 2djb s VAL 60 Ca 1.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 2djb s VAL 60 Cb -0.26 -4.75 -0.10 0.00 0.00 0.00 0.00 36.38 31.27 2djb s VAL 60 CO 0.18 -1.55 1.39 -1.00 0.00 0.00 0.00 175.10 174.12 2djb s HIS 61 N 4.68 3.04 0.02 5.22 3.76 -1.26 -4.84 115.29 125.92 2djb s HIS 61 Ca 0.29 1.17 -0.28 0.00 -0.15 0.00 0.00 55.06 56.09 2djb s HIS 61 Cb -0.13 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 2djb s HIS 61 CO 0.14 -2.34 0.90 -0.65 -0.85 0.00 0.00 174.74 171.94 2djb s GLN 62 N -0.83 4.56 -0.08 1.40 -1.52 -1.26 -4.96 119.66 116.97 2djb s GLN 62 Ca 0.56 1.29 -0.12 0.00 -1.95 0.00 0.00 55.36 55.13 2djb s GLN 62 Cb -0.41 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 2djb s GLN 62 CO 0.46 0.08 -0.23 0.25 -0.25 0.00 0.00 175.29 175.60 2djb n THR 63 N 3.45 1.41 -4.60 -0.19 -2.24 -1.26 -5.00 114.28 105.85 2djb n THR 63 Ca 0.03 0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.71 2djb n THR 63 Cb 0.50 -2.09 -0.15 0.00 -2.10 0.00 0.00 70.33 66.50 2djb n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2djb s GLN 64 N -2.60 3.24 0.75 -0.78 1.11 -1.26 -5.12 119.66 115.01 2djb s GLN 64 Ca -0.19 -0.74 -0.11 0.00 0.01 0.00 0.00 55.36 54.32 2djb s GLN 64 Cb 0.03 -2.62 0.05 0.00 -1.01 0.00 0.00 33.01 29.46 2djb s GLN 64 CO 0.28 0.06 1.09 -1.25 0.01 0.00 0.00 175.29 175.48 2djb s PRO 65 N 0.72 2.35 -0.25 2.91 0.04 -1.26 -4.88 135.00 134.62 2djb s PRO 65 Ca -0.07 1.21 -0.41 0.00 0.04 0.00 0.00 61.00 61.77 2djb s PRO 65 Cb -0.16 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 2djb s PRO 65 CO 0.01 -1.58 1.57 -0.11 0.04 0.00 0.00 177.00 176.94 2djb n LEU 66 N -3.33 1.70 0.00 -3.56 0.00 -1.26 -4.83 117.00 105.73 2djb n LEU 66 Ca 0.09 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.22 2djb n LEU 66 Cb 0.53 -1.06 0.00 0.00 0.00 0.00 0.00 43.42 42.89 2djb n LEU 66 CO 0.52 -0.79 -0.44 -1.54 0.00 0.00 0.00 177.39 175.15 2djb n SER 67 N 4.15 0.26 -0.78 1.96 3.41 -1.26 -5.15 113.62 116.21 2djb n SER 67 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2djb n SER 67 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2djb n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djb n GLY 68 N 2.84 -3.97 3.75 5.00 0.00 -1.26 -4.92 105.19 106.63 2djb n GLY 68 Ca 0.00 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.77 4.42 -0.28 1.61 0.04 -1.26 -5.03 135.00 130.74 2djb s PRO 69 Ca 0.00 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 2djb s PRO 69 Cb 0.00 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.46 2djb s PRO 69 CO 0.00 -0.16 0.76 0.45 0.04 0.00 0.00 177.00 178.10 2djb s SER 70 N -0.08 -0.77 0.04 6.66 0.15 -1.26 -5.07 113.70 113.36 2djb s SER 70 Ca 0.53 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2djb s SER 70 Cb -0.36 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2djb s SER 70 CO 0.42 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 174.40 2djb n SER 71 N 3.34 0.15 0.00 5.45 2.88 -1.26 -5.30 113.62 118.87 2djb n SER 71 Ca -0.16 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2djb n SER 71 Cb 0.57 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42