#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb h SER 2 N 0.00 0.39 -4.58 1.61 4.64 -2.00 -3.45 113.55 110.15 2djb h SER 2 Ca 0.00 0.19 -0.27 0.00 -0.47 0.00 0.00 61.79 61.24 2djb h SER 2 Cb 0.00 0.16 0.11 0.00 -0.31 0.00 0.00 62.40 62.36 2djb h SER 2 CO 0.00 -0.22 -0.52 -1.20 -0.87 0.00 0.00 176.83 174.02 2djb n SER 3 N -4.99 -3.99 -4.47 4.97 7.64 -1.26 -4.95 113.62 106.57 2djb n SER 3 Ca 0.35 -0.42 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 2djb n SER 3 Cb 1.18 -3.83 -0.03 0.00 -1.01 0.00 0.00 64.21 60.52 2djb n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2djb s GLY 4 N -3.52 1.37 -0.64 0.23 0.00 -1.26 -4.97 107.32 98.52 2djb s GLY 4 Ca 0.26 -1.92 -0.09 0.00 0.00 0.00 0.00 44.72 42.97 2djb s GLY 4 CO 0.53 2.17 0.53 -0.56 0.00 0.00 0.00 173.10 175.77 2djb s SER 5 N 3.75 5.96 0.57 1.64 0.01 -1.26 -5.07 113.70 119.30 2djb s SER 5 Ca 0.27 -2.44 -0.19 0.00 1.31 0.00 0.00 55.95 54.90 2djb s SER 5 Cb -0.13 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 2djb s SER 5 CO 0.07 -0.57 1.15 -0.55 0.41 0.00 0.00 173.24 173.75 2djb s SER 6 N 1.99 5.51 -0.18 2.44 0.15 -1.26 -4.90 113.70 117.46 2djb s SER 6 Ca 0.13 2.23 -0.03 0.00 0.70 0.00 0.00 55.95 58.98 2djb s SER 6 Cb -0.19 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 2djb s SER 6 CO -0.04 -1.36 2.78 0.61 1.20 0.00 0.00 173.24 176.42 2djb n GLY 7 N 0.23 3.45 3.41 9.45 0.00 -1.26 -4.82 105.19 115.65 2djb n GLY 7 Ca 0.12 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 2djb n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djb s ASN 8 N 1.23 -0.46 -0.25 1.61 -0.87 -1.26 -5.16 114.94 109.79 2djb s ASN 8 Ca 0.45 0.32 -0.04 0.00 -1.57 0.00 0.00 52.86 52.01 2djb s ASN 8 Cb 0.26 0.48 0.13 0.00 -0.02 0.00 0.00 41.25 42.10 2djb s ASN 8 CO -0.06 -0.65 0.46 -0.76 -2.57 0.00 0.00 177.10 173.53 2djb s LEU 9 N -1.65 -0.83 -0.06 0.60 1.43 -1.26 -5.07 118.68 111.84 2djb s LEU 9 Ca -0.08 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2djb s LEU 9 Cb -0.01 1.51 -0.02 0.00 0.03 0.00 0.00 46.19 47.70 2djb s LEU 9 CO 0.03 -0.26 0.19 0.28 0.23 0.00 0.00 176.35 176.81 2djb h SER 10 N 8.13 -0.12 -3.59 2.29 0.02 -2.02 -3.43 113.55 114.83 2djb h SER 10 Ca -0.19 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.11 2djb h SER 10 Cb 1.14 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.56 2djb h SER 10 CO 0.20 0.25 0.10 -1.83 -1.14 0.00 0.00 176.83 174.42 2djb s GLU 11 N -1.93 3.36 -0.82 3.45 -1.05 -1.26 -5.01 118.70 115.44 2djb s GLU 11 Ca -0.02 -0.30 -0.26 0.00 -0.15 0.00 0.00 54.97 54.24 2djb s GLU 11 Cb 0.00 -3.92 0.04 0.00 -0.44 0.00 0.00 34.13 29.81 2djb s GLU 11 CO 0.06 -0.93 1.33 -1.17 0.95 0.00 0.00 175.26 175.50 2djb s LEU 12 N 2.74 3.27 -0.08 1.83 1.98 -1.26 -4.97 118.68 122.19 2djb s LEU 12 Ca 0.22 -0.75 0.01 0.00 -2.89 0.00 0.00 54.13 50.72 2djb s LEU 12 Cb -0.14 -2.56 0.02 0.00 0.66 0.00 0.00 46.19 44.17 2djb s LEU 12 CO 0.18 -1.74 -0.08 0.42 -1.89 0.00 0.00 176.35 173.23 2djb s THR 13 N 5.50 0.95 -2.00 3.68 -4.23 -1.26 -5.00 115.64 113.28 2djb s THR 13 Ca 0.38 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2djb s THR 13 Cb -0.06 -0.94 0.22 0.00 1.34 0.00 0.00 72.50 73.06 2djb s THR 13 CO 0.08 0.34 0.91 -0.81 -0.54 0.00 0.00 174.62 174.59 2djb n PRO 14 N 4.45 0.49 -0.52 3.99 -0.04 -1.26 -3.89 135.00 138.22 2djb n PRO 14 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2djb n PRO 14 Cb 0.51 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2djb n PRO 14 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2djb n TYR 15 N -0.74 0.01 -0.01 0.54 9.36 -1.26 -3.56 117.16 121.50 2djb n TYR 15 Ca 0.06 -1.03 -0.02 0.00 3.32 0.00 0.00 57.90 60.23 2djb n TYR 15 Cb 0.03 -0.54 -0.01 0.00 -0.63 0.00 0.00 39.34 38.19 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2djb n ILE 16 N 1.52 0.12 -0.63 2.97 2.08 -1.25 -5.07 119.36 119.10 2djb n ILE 16 Ca 0.02 -0.04 -0.23 0.00 0.56 0.00 0.00 62.75 63.06 2djb n ILE 16 Cb 0.51 -0.98 0.13 0.00 -0.75 0.00 0.00 39.64 38.56 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2djb n LEU 17 N -2.79 -1.83 -4.74 1.39 4.77 -1.23 -4.11 117.00 108.46 2djb n LEU 17 Ca -0.04 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 2djb n LEU 17 Cb 0.53 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 2djb n LEU 17 CO 0.01 -3.03 -0.16 0.00 -1.33 0.00 0.00 177.39 172.88 2djb n SER 19 N -1.23 2.14 -0.09 0.00 7.64 -1.26 -3.46 113.62 117.36 2djb n SER 19 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.72 2djb n SER 19 Cb 0.63 1.25 -0.07 0.00 -1.01 0.00 0.00 64.21 65.01 2djb n SER 19 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2djb n ILE 20 N -2.14 1.49 0.63 0.44 5.41 -1.26 -4.52 119.36 119.40 2djb n ILE 20 Ca -0.09 0.06 0.11 0.00 1.00 0.00 0.00 62.75 63.83 2djb n ILE 20 Cb 0.55 -2.18 -0.11 0.00 -0.71 0.00 0.00 39.64 37.19 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 -1.80 -6.26 -4.05 0.00 4.76 -1.22 -4.95 118.16 104.64 2djb n LYS 22 Ca 0.01 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 2djb n LYS 22 Cb 0.42 -5.59 -0.11 0.00 -1.84 0.00 0.00 35.03 27.91 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2djb s GLY 23 N -3.52 0.40 0.22 0.72 0.00 -1.26 -4.61 107.32 99.28 2djb s GLY 23 Ca 0.51 -0.94 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 2djb s GLY 23 CO 0.79 -1.03 0.45 -1.72 0.00 0.00 0.00 173.10 171.60 2djb n TYR 24 N 0.80 -0.67 -1.88 1.90 4.01 -1.26 -3.46 117.16 116.60 2djb n TYR 24 Ca -0.19 0.90 -0.29 0.00 -0.16 0.00 0.00 57.90 58.16 2djb n TYR 24 Cb 0.58 -1.88 0.08 0.00 -0.31 0.00 0.00 39.34 37.82 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 3.07 2.58 0.13 7.72 1.43 -1.26 -4.93 118.68 127.43 2djb s LEU 25 Ca 0.61 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2djb s LEU 25 Cb -0.86 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2djb s LEU 25 CO 0.55 -1.80 0.00 -0.38 0.23 0.00 0.00 176.35 174.96 2djb n ILE 26 N -3.26 0.77 -0.02 -0.59 -0.00 -1.26 -4.89 119.36 110.10 2djb n ILE 26 Ca 0.08 0.25 -0.14 0.00 -0.00 0.00 0.00 62.75 62.94 2djb n ILE 26 Cb 0.60 -1.28 -0.14 0.00 -0.00 0.00 0.00 39.64 38.82 2djb n ILE 26 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2djb n ASP 27 N -3.41 1.39 -2.23 4.38 -0.08 -1.26 -4.51 116.55 110.84 2djb n ASP 27 Ca 0.00 0.27 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 2djb n ASP 27 Cb 0.05 -0.34 0.04 0.00 2.34 0.00 0.00 41.12 43.21 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 -2.79 -1.16 -2.59 -1.67 0.00 -1.26 -4.95 120.51 106.09 2djb n ALA 28 Ca -0.26 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 2djb n ALA 28 Cb 1.05 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.18 4.28 0.08 0.00 2.01 -1.14 -4.87 115.64 112.83 2djb s THR 29 Ca 0.09 1.38 0.06 0.00 0.31 0.00 0.00 61.69 63.53 2djb s THR 29 Cb -0.01 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2djb s THR 29 CO 0.35 -0.79 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.52 2djb s THR 30 N 4.25 3.53 0.47 -0.82 2.01 -1.26 -1.52 115.64 122.30 2djb s THR 30 Ca 0.48 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 2djb s THR 30 Cb -0.10 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2djb s THR 30 CO 0.26 0.19 0.80 -0.63 -0.69 0.00 0.00 174.62 174.55 2djb s ILE 31 N -1.17 4.86 -1.40 1.82 1.01 -1.08 -4.92 121.20 120.31 2djb s ILE 31 Ca 0.21 0.36 0.22 0.00 0.00 0.00 0.00 60.65 61.44 2djb s ILE 31 Cb -0.11 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2djb s ILE 31 CO 0.13 -0.79 1.08 0.41 0.00 0.00 0.00 174.94 175.76 2djb n THR 32 N -2.06 0.00 0.00 2.92 -1.04 -1.26 -3.10 114.28 109.74 2djb n THR 32 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2djb n THR 32 Cb 0.55 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 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 -0.94 0.00 0.09 -2.82 2.13 -1.26 -4.60 120.64 113.23 2djb n GLU 33 Ca 0.07 0.17 0.12 0.00 0.66 0.00 0.00 57.16 58.18 2djb n GLU 33 Cb 0.38 -0.58 0.23 0.00 0.27 0.00 0.00 31.44 31.74 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djb n LEU 35 N -2.29 -4.36 -4.47 0.00 7.99 -1.18 -5.02 117.00 107.68 2djb n LEU 35 Ca 0.04 -0.56 -0.33 0.00 -0.01 0.00 0.00 56.01 55.14 2djb n LEU 35 Cb 0.45 -2.78 -0.13 0.00 -0.11 0.00 0.00 43.42 40.85 2djb n LEU 35 CO 0.35 0.22 -0.40 -1.00 -1.51 0.00 0.00 177.39 175.04 2djb s HIS 36 N -3.32 2.89 0.04 -1.77 3.76 -1.26 -4.83 115.29 110.80 2djb s HIS 36 Ca 0.18 -0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.48 2djb s HIS 36 Cb -0.02 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 2djb s HIS 36 CO 0.63 -0.00 0.81 0.99 -0.85 0.00 0.00 174.74 176.32 2djb s THR 37 N 0.00 4.73 -0.20 1.30 2.01 -1.26 -2.64 115.64 119.59 2djb s THR 37 Ca -0.02 1.73 -0.09 0.00 0.31 0.00 0.00 61.69 63.62 2djb s THR 37 Cb -0.14 -4.16 0.08 0.00 0.01 0.00 0.00 72.50 68.28 2djb s THR 37 CO 0.03 0.33 0.45 -0.36 -0.69 0.00 0.00 174.62 174.38 2djb s PHE 38 N 0.13 -0.75 0.43 4.92 0.08 -0.58 -4.83 117.98 117.38 2djb s PHE 38 Ca 0.41 1.50 -0.21 0.00 0.12 0.00 0.00 56.93 58.75 2djb s PHE 38 Cb -0.21 0.34 -0.14 0.00 -0.57 0.00 0.00 43.02 42.45 2djb s PHE 38 CO 0.24 -0.42 0.33 0.00 -0.10 0.00 0.00 175.22 175.27 2djb h LYS 40 N 0.52 -0.18 -0.84 0.00 3.11 -1.92 0.28 116.57 117.54 2djb h LYS 40 Ca -0.39 0.01 0.18 0.00 -2.81 0.00 0.00 60.65 57.64 2djb h LYS 40 Cb 1.42 0.04 -0.11 0.00 -1.00 0.00 0.00 32.23 32.58 2djb h LYS 40 CO 0.49 -0.12 0.36 0.77 -2.81 0.00 0.00 179.45 178.14 2djb h SER 41 N -0.18 0.32 0.31 4.20 0.02 -1.97 0.80 113.55 117.05 2djb h SER 41 Ca -0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2djb h SER 41 Cb 0.19 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2djb h SER 41 CO -0.07 0.06 -0.19 0.00 -1.14 0.00 0.00 176.83 175.49 2djb h ILE 43 N -0.47 0.59 0.05 0.00 6.09 -0.08 0.40 117.51 124.09 2djb h ILE 43 Ca -0.04 -0.04 -0.24 0.00 -1.37 0.00 0.00 64.86 63.17 2djb h ILE 43 Cb 0.37 0.46 -0.02 0.00 0.47 0.00 0.00 36.82 38.11 2djb h ILE 43 CO 0.05 0.02 -1.09 0.58 -3.07 0.00 0.00 178.15 174.63 2djb h VAL 44 N 0.12 1.63 0.04 2.19 2.07 -0.47 -2.60 116.25 119.23 2djb h VAL 44 Ca 0.43 -3.28 -0.24 0.00 0.82 0.00 0.00 66.70 64.44 2djb h VAL 44 Cb 1.53 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.19 2djb h VAL 44 CO -0.06 0.94 -1.02 -0.09 0.02 0.00 0.00 177.57 177.36 2djb h ARG 45 N 0.03 0.33 -0.01 1.57 2.43 0.48 -2.98 114.38 116.24 2djb h ARG 45 Ca -0.06 -0.41 -0.18 0.00 -0.81 0.00 0.00 59.98 58.52 2djb h ARG 45 Cb 1.85 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.51 2djb h ARG 45 CO 0.16 1.11 -0.79 1.25 -1.51 0.00 0.00 179.97 180.19 2djb h HIS 46 N 0.16 0.19 0.00 2.20 2.76 -0.51 -3.07 115.15 116.89 2djb h HIS 46 Ca -0.09 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 57.95 2djb h HIS 46 Cb 1.69 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.62 2djb h HIS 46 CO 0.06 0.87 -0.14 0.74 -1.30 0.00 0.00 177.93 178.16 2djb h PHE 47 N 0.08 0.00 -0.19 5.26 0.04 -1.50 0.33 116.94 120.97 2djb h PHE 47 Ca -0.03 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 2djb h PHE 47 Cb 1.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.53 2djb h PHE 47 CO 0.02 0.14 -0.56 1.88 -0.60 0.00 0.00 178.31 179.19 2djb h TYR 48 N 0.00 0.74 0.04 -0.55 0.05 -1.42 -3.34 116.97 112.48 2djb h TYR 48 Ca -0.00 -0.26 -0.38 0.00 0.05 0.00 0.00 58.73 58.13 2djb h TYR 48 Cb 0.78 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 2djb h TYR 48 CO 0.00 1.01 -2.24 0.66 -1.05 0.00 0.00 178.16 176.54 2djb n TYR 49 N -3.96 0.48 -3.95 4.88 4.01 -1.16 -4.89 117.16 112.57 2djb n TYR 49 Ca -0.03 0.12 -0.29 0.00 -0.16 0.00 0.00 57.90 57.53 2djb n TYR 49 Cb 0.61 -1.06 -0.16 0.00 -0.31 0.00 0.00 39.34 38.42 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 -6.85 3.00 0.00 7.72 0.01 0.12 -5.01 113.70 112.68 2djb s SER 50 Ca -0.31 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 2djb s SER 50 Cb 0.09 -1.06 -0.13 0.00 0.21 0.00 0.00 66.02 65.12 2djb s SER 50 CO 0.64 -0.15 2.57 -3.20 0.41 0.00 0.00 173.24 173.50 2djb n ASN 51 N 4.79 4.52 -3.98 2.44 5.15 -1.25 -3.51 115.26 123.41 2djb n ASN 51 Ca -0.14 -2.28 -0.10 0.00 -0.60 0.00 0.00 54.58 51.47 2djb n ASN 51 Cb 0.48 -1.11 -0.07 0.00 -0.53 0.00 0.00 39.78 38.55 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 0.88 1.29 -0.05 1.20 0.52 -1.26 -3.51 118.95 118.01 2djb s ARG 52 Ca 0.33 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 2djb s ARG 52 Cb 0.16 0.40 -0.02 0.00 0.52 0.00 0.00 34.95 36.01 2djb s ARG 52 CO 0.00 -0.49 1.00 0.00 0.02 0.00 0.00 175.30 175.83 2djb n PRO 54 N 4.46 0.49 0.00 0.00 -0.04 -1.26 -0.30 135.00 138.34 2djb n PRO 54 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2djb n PRO 54 Cb 0.50 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.62 0.00 0.09 0.54 0.00 -1.26 -4.83 118.16 112.08 2djb n LYS 55 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.37 2djb n LYS 55 Cb 0.01 -0.15 -0.02 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 -3.01 -2.84 -4.37 0.00 2.85 0.59 -4.98 115.26 103.51 2djb n ASN 57 Ca -0.03 -0.24 -0.30 0.00 -0.11 0.00 0.00 54.58 53.90 2djb n ASN 57 Cb 0.75 -2.17 -0.14 0.00 1.24 0.00 0.00 39.78 39.46 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2djb s ILE 58 N -3.13 2.22 -0.26 -1.44 -4.36 -1.26 -4.76 121.20 108.20 2djb s ILE 58 Ca 0.08 -1.53 -0.28 0.00 -0.26 0.00 0.00 60.65 58.67 2djb s ILE 58 Cb -0.01 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 2djb s ILE 58 CO 0.26 0.26 2.10 -0.69 0.24 0.00 0.00 174.94 177.11 2djb s VAL 59 N -0.91 3.15 -0.19 8.37 1.01 -1.26 -2.21 120.40 128.35 2djb s VAL 59 Ca 0.13 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2djb s VAL 59 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2djb s VAL 59 CO 0.04 -0.14 -0.11 -0.69 0.00 0.00 0.00 175.10 174.20 2djb s VAL 60 N 8.02 2.87 0.40 2.92 1.01 -1.23 -5.01 120.40 129.37 2djb s VAL 60 Ca 0.94 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 2djb s VAL 60 Cb -0.29 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 2djb s VAL 60 CO 0.34 0.48 1.19 -1.00 0.00 0.00 0.00 175.10 176.11 2djb s HIS 61 N 1.24 3.05 0.57 5.22 3.76 -1.26 -4.75 115.29 123.11 2djb s HIS 61 Ca 0.03 1.54 -0.20 0.00 -0.15 0.00 0.00 55.06 56.27 2djb s HIS 61 Cb -0.14 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.08 2djb s HIS 61 CO -0.05 -1.41 1.29 1.14 -0.85 0.00 0.00 174.74 174.86 2djb s GLN 62 N -2.26 3.06 -0.19 1.40 0.00 -1.26 -5.01 119.66 115.40 2djb s GLN 62 Ca 0.57 2.05 -0.02 0.00 -0.00 0.00 0.00 55.36 57.95 2djb s GLN 62 Cb -0.32 -2.11 -0.00 0.00 0.00 0.00 0.00 33.01 30.58 2djb s GLN 62 CO 0.40 -1.20 -0.10 0.99 0.00 0.00 0.00 175.29 175.39 2djb s THR 63 N -1.42 3.02 0.62 3.63 2.01 -1.26 -5.11 115.64 117.14 2djb s THR 63 Ca 0.74 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2djb s THR 63 Cb -0.36 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2djb s THR 63 CO 0.41 0.47 1.14 0.00 -0.69 0.00 0.00 174.62 175.95 2djb s GLN 64 N 1.15 2.91 0.82 4.92 -2.07 -1.26 -5.01 119.66 121.12 2djb s GLN 64 Ca 0.01 1.55 -0.11 0.00 -1.82 0.00 0.00 55.36 54.99 2djb s GLN 64 Cb -0.14 -1.95 0.09 0.00 -1.09 0.00 0.00 33.01 29.91 2djb s GLN 64 CO -0.03 -1.19 1.09 -1.25 -1.32 0.00 0.00 175.29 172.59 2djb s PRO 65 N -3.74 1.85 0.50 9.60 0.04 -1.26 -5.08 135.00 136.91 2djb s PRO 65 Ca 0.71 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2djb s PRO 65 Cb -0.24 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2djb s PRO 65 CO 0.36 -1.89 0.42 1.28 0.04 0.00 0.00 177.00 177.22 2djb n LEU 66 N -3.67 0.00 -3.64 -3.56 4.77 -1.26 -5.15 117.00 104.49 2djb n LEU 66 Ca 0.08 -2.52 -0.06 0.00 -0.03 0.00 0.00 56.01 53.49 2djb n LEU 66 Cb 0.54 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2djb n LEU 66 CO 0.54 -0.57 0.31 -0.94 -1.33 0.00 0.00 177.39 175.40 2djb s SER 67 N -3.94 -0.96 0.00 -1.43 1.04 -1.26 -5.15 113.70 102.00 2djb s SER 67 Ca 0.32 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2djb s SER 67 Cb -0.03 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.65 2djb s SER 67 CO 0.20 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2djb n GLY 68 N 4.57 1.68 3.59 7.32 0.00 -1.26 -5.11 105.19 115.98 2djb n GLY 68 Ca -0.18 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.18 -0.03 1.61 0.04 -1.26 -4.98 135.00 133.56 2djb s PRO 69 Ca 0.00 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.16 2djb s PRO 69 Cb 0.00 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.33 2djb s PRO 69 CO 0.00 -2.06 -0.06 -1.12 0.04 0.00 0.00 177.00 173.81 2djb s SER 70 N 6.27 0.91 0.17 6.66 0.01 -1.26 -5.15 113.70 121.31 2djb s SER 70 Ca 0.73 -0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.73 2djb s SER 70 Cb -0.18 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.72 2djb s SER 70 CO 0.30 -0.00 0.37 -0.44 0.41 0.00 0.00 173.24 173.88 2djb s SER 71 N 0.53 -0.08 0.00 2.44 0.01 -1.26 -5.27 113.70 110.07 2djb s SER 71 Ca -0.07 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2djb s SER 71 Cb -0.11 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2djb s SER 71 CO 0.00 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.32