#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb n SER 2 N 0.00 -4.19 -0.08 1.61 7.64 -1.26 -4.89 113.62 112.45 2djb n SER 2 Ca 0.00 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.86 2djb n SER 2 Cb 0.00 -3.89 -0.12 0.00 -1.01 0.00 0.00 64.21 59.19 2djb n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2djb n SER 3 N -2.87 1.97 -1.53 6.43 3.41 -1.26 -5.10 113.62 114.66 2djb n SER 3 Ca -0.02 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2djb n SER 3 Cb 0.55 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2djb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djb n GLY 4 N 1.64 -4.56 3.74 5.00 0.00 -1.26 -5.08 105.19 104.67 2djb n GLY 4 Ca -0.37 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 2djb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djb s SER 5 N -3.48 -0.12 0.06 1.61 0.01 -1.26 -5.19 113.70 105.33 2djb s SER 5 Ca 0.00 -0.82 -0.27 0.00 1.31 0.00 0.00 55.95 56.17 2djb s SER 5 Cb 0.00 0.68 0.09 0.00 0.21 0.00 0.00 66.02 67.01 2djb s SER 5 CO 0.00 -1.30 1.17 -0.94 0.41 0.00 0.00 173.24 172.58 2djb s SER 6 N -2.98 -0.05 -0.18 2.44 1.04 -1.26 -5.18 113.70 107.54 2djb s SER 6 Ca 0.17 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 2djb s SER 6 Cb -0.04 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.44 2djb s SER 6 CO 0.09 -0.57 0.43 -0.83 0.98 0.00 0.00 173.24 173.34 2djb s GLY 7 N -3.28 -0.35 -0.30 7.32 0.00 -1.26 -5.13 107.32 104.31 2djb s GLY 7 Ca 0.19 1.55 -0.11 0.00 0.00 0.00 0.00 44.72 46.35 2djb s GLY 7 CO 0.00 1.64 0.95 0.54 0.00 0.00 0.00 173.10 176.23 2djb s ASN 8 N 1.24 -0.66 0.15 1.64 2.20 -1.26 -5.18 114.94 113.06 2djb s ASN 8 Ca -0.08 0.54 -0.16 0.00 -0.94 0.00 0.00 52.86 52.22 2djb s ASN 8 Cb -0.07 1.61 0.03 0.00 -2.00 0.00 0.00 41.25 40.81 2djb s ASN 8 CO -0.11 -0.12 0.42 -1.48 -2.94 0.00 0.00 177.10 172.87 2djb s LEU 9 N 2.80 0.35 0.17 3.54 0.05 -1.26 -5.18 118.68 119.14 2djb s LEU 9 Ca 0.03 -0.39 -0.08 0.00 0.05 0.00 0.00 54.13 53.73 2djb s LEU 9 Cb -0.10 1.87 -0.01 0.00 -2.05 0.00 0.00 46.19 45.90 2djb s LEU 9 CO -0.15 -0.91 0.26 -0.44 -0.55 0.00 0.00 176.35 174.57 2djb s SER 10 N -2.83 0.07 -0.14 1.48 0.01 -1.26 -5.07 113.70 105.95 2djb s SER 10 Ca 0.05 -0.93 0.11 0.00 1.31 0.00 0.00 55.95 56.49 2djb s SER 10 Cb 0.01 0.43 -0.16 0.00 0.21 0.00 0.00 66.02 66.50 2djb s SER 10 CO -0.09 -0.89 0.02 1.21 0.41 0.00 0.00 173.24 173.90 2djb n GLU 11 N -0.21 1.55 -3.63 12.44 4.07 -1.26 -5.04 120.64 128.56 2djb n GLU 11 Ca -0.06 0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 56.93 2djb n GLU 11 Cb 0.63 -1.36 -0.07 0.00 -0.06 0.00 0.00 31.44 30.59 2djb n GLU 11 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2djb s LEU 12 N -5.17 -0.56 -0.07 4.31 2.34 -1.26 -5.17 118.68 113.10 2djb s LEU 12 Ca -0.09 1.05 -0.04 0.00 0.06 0.00 0.00 54.13 55.11 2djb s LEU 12 Cb 0.04 2.12 0.04 0.00 -0.56 0.00 0.00 46.19 47.83 2djb s LEU 12 CO 0.55 -0.21 0.17 0.42 -1.06 0.00 0.00 176.35 176.22 2djb s THR 13 N 0.16 -0.04 1.24 5.48 -4.23 -1.26 -5.16 115.64 111.82 2djb s THR 13 Ca 0.01 0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 2djb s THR 13 Cb -0.05 -0.27 0.31 0.00 1.34 0.00 0.00 72.50 73.83 2djb s THR 13 CO -0.03 0.06 1.10 -0.81 -0.54 0.00 0.00 174.62 174.41 2djb n PRO 14 N 4.11 -3.19 -0.89 3.99 -0.04 -1.26 -4.91 135.00 132.81 2djb n PRO 14 Ca -0.25 -1.76 -0.16 0.00 -0.04 0.00 0.00 63.50 61.29 2djb n PRO 14 Cb 0.53 -1.65 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -4.89 1.52 -0.11 0.54 4.11 -1.26 -4.12 117.16 112.95 2djb n TYR 15 Ca 0.15 -1.96 -0.18 0.00 -0.00 0.00 0.00 57.90 55.92 2djb n TYR 15 Cb 0.59 -0.95 -0.12 0.00 -0.00 0.00 0.00 39.34 38.85 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2djb n ILE 16 N 0.37 1.53 -0.39 -3.48 5.41 -1.26 -4.93 119.36 116.62 2djb n ILE 16 Ca 0.30 -0.60 -0.23 0.00 1.00 0.00 0.00 62.75 63.21 2djb n ILE 16 Cb 0.58 -1.42 0.22 0.00 -0.71 0.00 0.00 39.64 38.30 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 -3.27 -0.89 -4.73 1.39 4.77 -1.26 -4.34 117.00 108.67 2djb n LEU 17 Ca -0.43 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 2djb n LEU 17 Cb 1.01 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2djb n LEU 17 CO 0.30 -3.86 -0.18 0.00 -1.33 0.00 0.00 177.39 172.31 2djb n SER 19 N -1.18 1.09 -0.01 0.00 7.64 -1.26 -3.58 113.62 116.31 2djb n SER 19 Ca -0.02 -0.02 -0.00 0.00 1.01 0.00 0.00 58.87 59.83 2djb n SER 19 Cb 0.62 0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 64.52 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 -1.97 -3.40 117.51 114.62 2djb h ILE 20 Ca -0.46 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2djb h ILE 20 Cb 1.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2djb h ILE 20 CO 0.01 0.00 -0.62 0.00 0.00 0.00 0.00 178.15 177.53 2djb n LYS 22 N -2.05 -5.71 -4.14 0.00 4.01 -1.23 -4.94 118.16 104.09 2djb n LYS 22 Ca 0.03 0.63 -0.16 0.00 -0.51 0.00 0.00 58.31 58.31 2djb n LYS 22 Cb 0.43 -5.48 -0.11 0.00 -0.51 0.00 0.00 35.03 29.36 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 -3.53 0.76 0.12 0.72 0.00 -1.26 -4.51 107.32 99.62 2djb s GLY 23 Ca 0.52 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 2djb s GLY 23 CO 0.81 -1.02 0.39 -1.72 0.00 0.00 0.00 173.10 171.56 2djb n TYR 24 N 1.15 -0.25 -2.91 1.90 4.02 -1.26 -4.05 117.16 115.76 2djb n TYR 24 Ca -0.20 0.66 -0.41 0.00 -0.01 0.00 0.00 57.90 57.94 2djb n TYR 24 Cb 0.55 -1.33 -0.04 0.00 -0.02 0.00 0.00 39.34 38.50 2djb n TYR 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2djb s LEU 25 N 1.81 4.34 -0.19 7.72 1.43 -1.26 -4.97 118.68 127.56 2djb s LEU 25 Ca 0.45 1.39 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 2djb s LEU 25 Cb -0.65 -3.29 -0.21 0.00 0.03 0.00 0.00 46.19 42.08 2djb s LEU 25 CO 0.38 -0.17 0.27 0.40 0.23 0.00 0.00 176.35 177.46 2djb h ILE 26 N 4.76 0.92 0.08 -0.59 5.03 -1.97 -3.41 117.51 122.33 2djb h ILE 26 Ca -0.41 -2.21 -0.35 0.00 -0.12 0.00 0.00 64.86 61.77 2djb h ILE 26 Cb 1.21 2.33 -0.03 0.00 -3.03 0.00 0.00 36.82 37.29 2djb h ILE 26 CO 0.75 0.41 -1.94 -0.67 -0.68 0.00 0.00 178.15 176.02 2djb n ASP 27 N -4.31 2.05 -1.70 1.72 -0.08 -1.26 -5.03 116.55 107.94 2djb n ASP 27 Ca -0.31 0.22 -0.06 0.00 -1.51 0.00 0.00 54.79 53.13 2djb n ASP 27 Cb 0.73 -0.83 0.03 0.00 2.34 0.00 0.00 41.12 43.39 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 -3.18 -0.59 -2.59 -1.67 0.00 -1.26 -4.98 120.51 106.24 2djb n ALA 28 Ca -0.35 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 2djb n ALA 28 Cb 0.96 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.11 4.17 -0.14 0.00 2.01 -1.24 -4.80 115.64 112.53 2djb s THR 29 Ca 0.04 1.08 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 2djb s THR 29 Cb -0.02 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 2djb s THR 29 CO 0.23 -1.10 0.11 0.28 -0.69 0.00 0.00 174.62 173.45 2djb s THR 30 N 4.55 5.26 -0.91 -0.82 -1.32 -1.26 -0.27 115.64 120.87 2djb s THR 30 Ca 0.45 0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.87 2djb s THR 30 Cb -0.07 -3.31 0.12 0.00 -1.51 0.00 0.00 72.50 67.73 2djb s THR 30 CO 0.29 0.57 1.13 -0.63 -2.21 0.00 0.00 174.62 173.77 2djb s ILE 31 N -0.60 4.67 0.25 5.08 1.01 -0.68 -4.81 121.20 126.12 2djb s ILE 31 Ca 0.12 -1.47 0.19 0.00 0.00 0.00 0.00 60.65 59.49 2djb s ILE 31 Cb -0.12 -4.78 0.29 0.00 0.01 0.00 0.00 42.46 37.86 2djb s ILE 31 CO 0.02 -1.52 0.84 0.41 0.00 0.00 0.00 174.94 174.70 2djb n THR 32 N 5.58 -0.12 -0.20 2.92 -1.04 -1.26 0.12 114.28 120.29 2djb n THR 32 Ca 0.22 0.96 -0.03 0.00 -2.04 0.00 0.00 64.05 63.17 2djb n THR 32 Cb 0.49 -1.57 0.04 0.00 -1.82 0.00 0.00 70.33 67.47 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 -0.07 0.00 -2.82 4.57 -1.99 -3.11 114.58 111.16 2djb h GLU 33 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 2djb h GLU 33 Cb 1.60 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2djb h GLU 33 CO -0.22 -0.05 0.00 0.00 -1.18 0.00 0.00 179.01 177.56 2djb n LEU 35 N -0.10 -3.47 -4.27 0.00 7.99 0.33 -4.96 117.00 112.53 2djb n LEU 35 Ca 0.00 -0.70 -0.35 0.00 -0.01 0.00 0.00 56.01 54.95 2djb n LEU 35 Cb 0.12 -2.88 -0.14 0.00 -0.11 0.00 0.00 43.42 40.40 2djb n LEU 35 CO 0.00 0.43 -0.42 -1.00 -1.51 0.00 0.00 177.39 174.89 2djb s HIS 36 N -3.47 2.91 0.29 -1.77 3.76 -1.25 -4.80 115.29 110.97 2djb s HIS 36 Ca 0.13 -1.08 -0.28 0.00 -0.15 0.00 0.00 55.06 53.68 2djb s HIS 36 Cb -0.06 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.48 2djb s HIS 36 CO 0.77 -0.59 1.01 0.99 -0.85 0.00 0.00 174.74 176.07 2djb s THR 37 N 1.40 3.86 -0.21 1.30 2.01 -1.26 -1.68 115.64 121.06 2djb s THR 37 Ca 0.05 1.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.72 2djb s THR 37 Cb -0.14 -4.06 0.09 0.00 0.01 0.00 0.00 72.50 68.41 2djb s THR 37 CO -0.05 0.32 0.45 -0.36 -0.69 0.00 0.00 174.62 174.28 2djb s PHE 38 N -1.33 -0.86 0.02 4.92 0.08 0.62 -4.83 117.98 116.61 2djb s PHE 38 Ca 0.46 1.62 -0.36 0.00 0.12 0.00 0.00 56.93 58.77 2djb s PHE 38 Cb -0.26 0.37 -0.18 0.00 -0.57 0.00 0.00 43.02 42.37 2djb s PHE 38 CO 0.33 -0.50 0.94 0.00 -0.10 0.00 0.00 175.22 175.88 2djb n LYS 40 N 1.34 -0.09 -0.14 0.00 3.00 -1.26 0.87 118.16 121.89 2djb n LYS 40 Ca 0.18 1.53 -0.12 0.00 -0.00 0.00 0.00 58.31 59.90 2djb n LYS 40 Cb 0.09 -2.33 -0.01 0.00 0.00 0.00 0.00 35.03 32.78 2djb n LYS 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2djb h SER 41 N 0.00 0.99 0.86 3.14 0.87 -1.98 -1.38 113.55 116.05 2djb h SER 41 Ca 0.52 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2djb h SER 41 Cb 0.91 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2djb h SER 41 CO -0.99 1.20 -0.41 0.00 -0.53 0.00 0.00 176.83 176.09 2djb h ILE 43 N -1.24 0.65 -0.83 0.00 6.09 -0.34 0.83 117.51 122.67 2djb h ILE 43 Ca -0.12 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.45 2djb h ILE 43 Cb 0.89 0.65 -0.07 0.00 0.47 0.00 0.00 36.82 38.77 2djb h ILE 43 CO 0.19 0.00 0.49 0.58 -3.07 0.00 0.00 178.15 176.35 2djb h VAL 44 N -0.23 0.97 0.00 2.19 2.07 -1.27 -0.28 116.25 119.70 2djb h VAL 44 Ca 0.05 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 2djb h VAL 44 Cb 0.30 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2djb h VAL 44 CO -0.15 0.16 -0.75 0.03 0.02 0.00 0.00 177.57 176.88 2djb h ARG 45 N 0.86 0.00 -0.28 1.57 3.08 -0.18 -3.17 114.38 116.26 2djb h ARG 45 Ca 0.38 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.31 2djb h ARG 45 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2djb h ARG 45 CO -0.21 0.75 -0.32 1.25 -1.07 0.00 0.00 179.97 180.37 2djb h HIS 46 N 0.00 0.70 0.00 3.04 2.76 0.19 -2.58 115.15 119.25 2djb h HIS 46 Ca -0.01 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 2djb h HIS 46 Cb 1.33 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 2djb h HIS 46 CO 0.00 0.85 -0.08 0.74 -1.30 0.00 0.00 177.93 178.15 2djb h PHE 47 N 0.52 0.00 0.12 5.26 0.04 -1.07 0.37 116.94 122.17 2djb h PHE 47 Ca 0.06 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.59 2djb h PHE 47 Cb 0.81 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.98 2djb h PHE 47 CO 0.03 0.08 -1.00 1.88 -0.60 0.00 0.00 178.31 178.70 2djb h TYR 48 N 0.00 0.78 0.14 -0.55 0.05 -1.46 -3.37 116.97 112.55 2djb h TYR 48 Ca -0.00 -0.51 -0.26 0.00 0.05 0.00 0.00 58.73 58.02 2djb h TYR 48 Cb 0.55 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2djb h TYR 48 CO 0.00 1.37 -1.24 1.88 -1.05 0.00 0.00 178.16 179.11 2djb h TYR 49 N -0.03 0.53 -4.10 4.88 0.05 -1.37 -3.47 116.97 113.47 2djb h TYR 49 Ca -0.16 -0.38 -0.45 0.00 0.05 0.00 0.00 58.73 57.78 2djb h TYR 49 Cb 1.73 -0.02 -0.29 0.00 1.01 0.00 0.00 36.73 39.16 2djb h TYR 49 CO 0.15 1.48 -0.80 0.45 -1.05 0.00 0.00 178.16 178.39 2djb s SER 50 N -7.07 1.44 -0.46 3.88 0.15 0.13 -5.03 113.70 106.74 2djb s SER 50 Ca -0.17 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 2djb s SER 50 Cb 0.03 -0.20 0.29 0.00 -1.71 0.00 0.00 66.02 64.44 2djb s SER 50 CO 0.80 0.14 2.06 0.59 1.20 0.00 0.00 173.24 178.04 2djb n ASN 51 N 2.85 6.93 -4.01 5.45 4.13 -1.26 -3.34 115.26 126.01 2djb n ASN 51 Ca -0.15 -3.34 -0.11 0.00 1.68 0.00 0.00 54.58 52.67 2djb n ASN 51 Cb 0.55 -1.04 -0.07 0.00 -1.54 0.00 0.00 39.78 37.69 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2djb s ARG 52 N -2.56 1.45 -0.00 3.52 0.52 -1.26 -3.65 118.95 116.97 2djb s ARG 52 Ca 0.44 -1.43 -0.25 0.00 -0.52 0.00 0.00 55.73 53.97 2djb s ARG 52 Cb 0.35 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 36.16 2djb s ARG 52 CO -0.02 -0.56 0.76 0.00 0.02 0.00 0.00 175.30 175.50 2djb n PRO 54 N 3.27 0.49 0.02 0.00 -0.04 -1.26 0.37 135.00 137.85 2djb n PRO 54 Ca -0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2djb n PRO 54 Cb 0.51 -1.04 -0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2djb n PRO 54 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2djb n LYS 55 N -0.39 0.00 0.00 0.54 4.76 -1.26 -4.83 118.16 116.98 2djb n LYS 55 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2djb n LYS 55 Cb 0.02 -0.18 0.11 0.00 -1.84 0.00 0.00 35.03 33.13 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2djb n ASN 57 N -0.14 -2.48 -4.65 0.00 4.13 0.16 -4.91 115.26 107.36 2djb n ASN 57 Ca 0.10 -0.79 -0.35 0.00 1.68 0.00 0.00 54.58 55.23 2djb n ASN 57 Cb 0.44 -4.34 -0.10 0.00 -1.54 0.00 0.00 39.78 34.25 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 -3.55 4.48 -0.73 2.41 -4.36 -1.26 -4.63 121.20 113.56 2djb s ILE 58 Ca 0.11 -0.16 -0.26 0.00 -0.26 0.00 0.00 60.65 60.08 2djb s ILE 58 Cb -0.03 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 2djb s ILE 58 CO 0.79 0.54 1.94 -0.69 0.24 0.00 0.00 174.94 177.76 2djb s VAL 59 N -0.27 3.37 -1.18 8.37 1.01 -1.26 -2.02 120.40 128.42 2djb s VAL 59 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2djb s VAL 59 Cb -0.12 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.48 2djb s VAL 59 CO 0.02 -0.86 1.48 -0.69 0.00 0.00 0.00 175.10 175.05 2djb s VAL 60 N 9.79 4.61 0.58 2.92 1.01 -1.24 -5.00 120.40 133.07 2djb s VAL 60 Ca 0.70 -2.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2djb s VAL 60 Cb -0.10 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.24 2djb s VAL 60 CO 0.12 -1.76 1.08 -2.28 0.00 0.00 0.00 175.10 172.26 2djb s HIS 61 N 2.86 2.85 0.24 5.22 2.46 -1.26 -4.97 115.29 122.70 2djb s HIS 61 Ca 0.45 1.54 0.06 0.00 0.47 0.00 0.00 55.06 57.58 2djb s HIS 61 Cb -0.01 -3.11 -0.03 0.00 -0.13 0.00 0.00 32.58 29.30 2djb s HIS 61 CO 0.00 -1.27 0.29 -0.65 -2.47 0.00 0.00 174.74 170.65 2djb s GLN 62 N -3.77 3.23 -0.11 2.88 -0.21 -1.26 -5.12 119.66 115.30 2djb s GLN 62 Ca 0.67 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 55.13 2djb s GLN 62 Cb -0.18 -2.76 0.06 0.00 1.00 0.00 0.00 33.01 31.12 2djb s GLN 62 CO 0.33 0.42 0.21 0.95 -2.12 0.00 0.00 175.29 175.07 2djb s THR 63 N -2.04 -0.33 -0.05 -0.19 -4.23 -1.26 -5.15 115.64 102.39 2djb s THR 63 Ca 0.34 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2djb s THR 63 Cb -0.09 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 2djb s THR 63 CO 0.27 0.13 -0.01 0.00 -0.54 0.00 0.00 174.62 174.47 2djb s GLN 64 N 2.35 2.87 1.11 3.99 -2.07 -1.26 -5.12 119.66 121.53 2djb s GLN 64 Ca 0.02 -0.50 -0.16 0.00 -1.82 0.00 0.00 55.36 52.90 2djb s GLN 64 Cb -0.12 -2.71 0.24 0.00 -1.09 0.00 0.00 33.01 29.33 2djb s GLN 64 CO -0.07 0.67 1.10 -1.25 -1.32 0.00 0.00 175.29 174.42 2djb s PRO 65 N -1.10 -0.48 0.01 9.60 0.04 -1.26 -4.98 135.00 136.82 2djb s PRO 65 Ca 0.15 0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.15 2djb s PRO 65 Cb -0.11 -1.66 -0.18 0.00 0.04 0.00 0.00 34.50 32.59 2djb s PRO 65 CO 0.05 -3.27 1.38 -0.07 0.04 0.00 0.00 177.00 175.12 2djb h LEU 66 N -2.27 0.09-10.10 -3.56 3.38 -2.09 -3.44 115.31 97.31 2djb h LEU 66 Ca -0.50 -0.39 -0.55 0.00 0.09 0.00 0.00 57.88 56.53 2djb h LEU 66 Cb 1.31 -0.02 0.17 0.00 0.09 0.00 0.00 40.66 42.21 2djb h LEU 66 CO 0.46 0.45 0.34 -1.20 0.09 0.00 0.00 178.44 178.58 2djb n SER 67 N -4.84 1.27 -4.13 -0.43 7.64 -1.26 -5.01 113.62 106.86 2djb n SER 67 Ca -0.07 0.70 -0.33 0.00 1.01 0.00 0.00 58.87 60.17 2djb n SER 67 Cb 0.22 -1.50 -0.16 0.00 -1.01 0.00 0.00 64.21 61.77 2djb n SER 67 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2djb s GLY 68 N -1.72 1.41 0.43 0.23 0.00 -1.26 -5.11 107.32 101.28 2djb s GLY 68 Ca 0.77 -1.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.02 2djb s GLY 68 CO 0.47 0.29 1.18 2.56 0.00 0.00 0.00 173.10 177.60 2djb s PRO 69 N 1.30 3.92 0.11 2.90 0.04 -1.26 -4.97 135.00 137.04 2djb s PRO 69 Ca 0.05 1.84 -0.32 0.00 0.04 0.00 0.00 61.00 62.60 2djb s PRO 69 Cb -0.13 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 2djb s PRO 69 CO -0.12 -0.43 1.58 0.77 0.04 0.00 0.00 177.00 178.83 2djb h SER 70 N 2.39 -1.33 -3.09 6.66 0.02 -2.07 -3.42 113.55 112.72 2djb h SER 70 Ca -0.49 0.14 -0.56 0.00 -0.84 0.00 0.00 61.79 60.04 2djb h SER 70 Cb 1.24 0.49 0.19 0.00 0.14 0.00 0.00 62.40 64.47 2djb h SER 70 CO 0.61 -0.52 -0.56 -1.20 -1.14 0.00 0.00 176.83 174.03 2djb n SER 71 N -5.48 -1.76 0.00 3.07 7.64 -1.26 -5.36 113.62 110.47 2djb n SER 71 Ca -0.08 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2djb n SER 71 Cb 0.39 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64