#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 -0.60 0.30 1.61 0.15 -1.26 -5.17 113.70 108.73 2djb s SER 2 Ca 0.00 1.04 -0.20 0.00 0.70 0.00 0.00 55.95 57.49 2djb s SER 2 Cb 0.00 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.29 2djb s SER 2 CO 0.00 -0.20 0.79 -0.44 1.20 0.00 0.00 173.24 174.59 2djb s SER 3 N 1.21 -0.15 0.23 5.45 0.01 -1.26 -5.19 113.70 113.99 2djb s SER 3 Ca -0.08 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.33 2djb s SER 3 Cb -0.07 0.73 0.03 0.00 0.21 0.00 0.00 66.02 66.93 2djb s SER 3 CO -0.11 -1.40 0.45 0.61 0.41 0.00 0.00 173.24 173.19 2djb n GLY 4 N -0.50 1.47 3.02 3.44 0.00 -1.26 -5.18 105.19 106.19 2djb n GLY 4 Ca -0.06 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.19 -0.02 0.33 1.61 0.01 -1.26 -5.17 113.70 107.01 2djb s SER 5 Ca 0.09 -0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 2djb s SER 5 Cb -0.03 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.42 2djb s SER 5 CO 0.07 -0.18 0.52 -0.44 0.41 0.00 0.00 173.24 173.63 2djb s SER 6 N -0.60 0.60 0.19 2.44 0.01 -1.26 -5.19 113.70 109.90 2djb s SER 6 Ca -0.07 -1.34 -0.23 0.00 1.31 0.00 0.00 55.95 55.62 2djb s SER 6 Cb -0.04 0.68 0.07 0.00 0.21 0.00 0.00 66.02 66.94 2djb s SER 6 CO 0.00 -1.33 0.98 -0.83 0.41 0.00 0.00 173.24 172.47 2djb s GLY 7 N -3.17 0.00 0.38 3.44 0.00 -1.26 -5.19 107.32 101.52 2djb s GLY 7 Ca 0.27 -0.20 0.05 0.00 0.00 0.00 0.00 44.72 44.84 2djb s GLY 7 CO 0.17 1.16 0.04 0.54 0.00 0.00 0.00 173.10 175.01 2djb s ASN 8 N -3.19 3.19 -0.08 1.64 4.22 -1.26 -5.15 114.94 114.31 2djb s ASN 8 Ca 0.17 -1.41 0.05 0.00 -2.14 0.00 0.00 52.86 49.53 2djb s ASN 8 Cb -0.02 -0.16 -0.00 0.00 1.28 0.00 0.00 41.25 42.34 2djb s ASN 8 CO 0.05 -0.57 -0.23 -1.48 -2.04 0.00 0.00 177.10 172.83 2djb s LEU 9 N -3.62 2.05 0.99 3.54 0.05 -1.26 -5.13 118.68 115.29 2djb s LEU 9 Ca 0.33 -0.52 -0.14 0.00 0.05 0.00 0.00 54.13 53.86 2djb s LEU 9 Cb 0.09 -1.34 0.18 0.00 -2.05 0.00 0.00 46.19 43.07 2djb s LEU 9 CO 0.16 0.18 1.15 -0.44 -0.55 0.00 0.00 176.35 176.84 2djb s SER 10 N 0.19 2.83 -0.46 1.48 0.01 -1.26 -4.97 113.70 111.52 2djb s SER 10 Ca -0.13 0.85 0.04 0.00 1.31 0.00 0.00 55.95 58.02 2djb s SER 10 Cb -0.16 -1.32 0.51 0.00 0.21 0.00 0.00 66.02 65.26 2djb s SER 10 CO 0.07 -2.97 1.71 1.21 0.41 0.00 0.00 173.24 173.68 2djb n GLU 11 N -4.02 2.56 -3.31 12.44 4.07 -1.26 -4.85 120.64 126.26 2djb n GLU 11 Ca 0.08 -3.37 -0.08 0.00 -0.06 0.00 0.00 57.16 53.74 2djb n GLU 11 Cb 0.59 -2.15 -0.06 0.00 -0.06 0.00 0.00 31.44 29.76 2djb n GLU 11 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2djb s LEU 12 N -3.53 -0.78 0.06 4.31 1.43 -1.26 -5.15 118.68 113.75 2djb s LEU 12 Ca 0.56 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 2djb s LEU 12 Cb 0.46 1.23 -0.03 0.00 0.03 0.00 0.00 46.19 47.88 2djb s LEU 12 CO 0.03 -0.32 -0.09 0.42 0.23 0.00 0.00 176.35 176.62 2djb s THR 13 N 2.58 0.72 0.32 5.49 -4.23 -1.26 -5.14 115.64 114.12 2djb s THR 13 Ca 0.12 -1.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 2djb s THR 13 Cb -0.14 -0.90 -0.10 0.00 1.34 0.00 0.00 72.50 72.70 2djb s THR 13 CO -0.22 -0.42 1.22 -2.16 -0.54 0.00 0.00 174.62 172.51 2djb s PRO 14 N -1.98 4.44 -0.11 3.99 0.04 -1.26 -4.91 135.00 135.20 2djb s PRO 14 Ca -0.04 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2djb s PRO 14 Cb -0.08 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.44 2djb s PRO 14 CO 0.00 -0.05 2.07 2.48 0.04 0.00 0.00 177.00 181.54 2djb n TYR 15 N 0.89 0.53 -3.52 0.56 4.11 -1.26 -4.76 117.16 113.71 2djb n TYR 15 Ca -0.00 -1.35 -0.42 0.00 -0.00 0.00 0.00 57.90 56.14 2djb n TYR 15 Cb 0.43 -0.70 -0.07 0.00 -0.00 0.00 0.00 39.34 39.00 2djb n TYR 15 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2djb s ILE 16 N -0.75 4.49 0.34 -3.48 -1.09 -1.26 -5.02 121.20 114.42 2djb s ILE 16 Ca 0.13 -2.17 -0.07 0.00 -2.23 0.00 0.00 60.65 56.32 2djb s ILE 16 Cb 0.10 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2djb s ILE 16 CO -0.00 -0.86 0.56 0.18 -1.23 0.00 0.00 174.94 173.58 2djb n LEU 17 N 4.43 0.00 -4.71 2.97 4.77 -1.26 -4.59 117.00 118.61 2djb n LEU 17 Ca -0.00 -2.51 -0.25 0.00 -0.03 0.00 0.00 56.01 53.22 2djb n LEU 17 Cb 0.41 2.81 -0.08 0.00 -2.33 0.00 0.00 43.42 44.23 2djb n LEU 17 CO 0.40 -0.68 -0.20 0.00 -1.33 0.00 0.00 177.39 175.58 2djb n SER 19 N -1.16 1.72 -0.03 0.00 2.88 -1.26 -3.59 113.62 112.19 2djb n SER 19 Ca -0.02 -0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.45 2djb n SER 19 Cb 0.64 0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 64.33 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2djb h ILE 20 N 0.00 0.00 0.00 2.46 2.04 -1.96 -3.39 117.51 116.66 2djb h ILE 20 Ca -0.46 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 2djb h ILE 20 Cb 1.86 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2djb h ILE 20 CO -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.72 2djb n LYS 22 N -3.09 -7.21 -4.11 0.00 4.76 -1.24 -4.97 118.16 102.31 2djb n LYS 22 Ca 0.02 0.77 -0.11 0.00 -2.87 0.00 0.00 58.31 56.12 2djb n LYS 22 Cb 0.63 -5.62 -0.10 0.00 -1.84 0.00 0.00 35.03 28.10 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 -3.42 0.61 0.10 0.72 0.00 -1.26 -4.61 107.32 99.45 2djb s GLY 23 Ca 0.47 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 2djb s GLY 23 CO 0.67 -1.19 0.47 -1.72 0.00 0.00 0.00 173.10 171.34 2djb n TYR 24 N 0.55 -0.12 -2.82 1.90 4.01 -1.26 -3.20 117.16 116.22 2djb n TYR 24 Ca -0.16 0.70 -0.41 0.00 -0.16 0.00 0.00 57.90 57.86 2djb n TYR 24 Cb 0.59 -1.40 -0.04 0.00 -0.31 0.00 0.00 39.34 38.18 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 1.49 4.39 -0.17 7.72 1.43 -1.26 -4.88 118.68 127.41 2djb s LEU 25 Ca 0.50 1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.02 2djb s LEU 25 Cb -0.72 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.02 2djb s LEU 25 CO 0.39 -0.16 -0.28 -0.38 0.23 0.00 0.00 176.35 176.16 2djb n ILE 26 N 3.52 1.47 -0.01 -0.59 -0.00 -1.26 -4.70 119.36 117.79 2djb n ILE 26 Ca 0.03 0.14 -0.16 0.00 -0.00 0.00 0.00 62.75 62.76 2djb n ILE 26 Cb 0.51 -2.34 -0.12 0.00 -0.00 0.00 0.00 39.64 37.68 2djb n ILE 26 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2djb h ASP 27 N -1.00 0.30 -2.80 4.38 1.82 -1.93 -3.49 116.42 113.70 2djb h ASP 27 Ca -0.04 -0.84 -0.09 0.00 -0.39 0.00 0.00 57.03 55.68 2djb h ASP 27 Cb 0.86 -0.09 0.04 0.00 0.68 0.00 0.00 39.33 40.82 2djb h ASP 27 CO -0.02 1.10 -0.19 0.00 -1.61 0.00 0.00 179.24 178.52 2djb n ALA 28 N -2.58 -0.48 -2.55 -0.78 0.00 -1.26 -4.97 120.51 107.89 2djb n ALA 28 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2djb n ALA 28 Cb 0.60 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.09 3.83 -0.03 0.00 2.01 -0.74 -4.80 115.64 112.82 2djb s THR 29 Ca 0.02 0.60 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 2djb s THR 29 Cb -0.01 -4.82 -0.05 0.00 0.01 0.00 0.00 72.50 67.63 2djb s THR 29 CO 0.18 -1.63 0.29 -0.89 -0.69 0.00 0.00 174.62 171.88 2djb s THR 30 N 5.51 5.25 -0.84 -0.82 2.01 -1.26 -0.16 115.64 125.34 2djb s THR 30 Ca 0.39 0.44 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 2djb s THR 30 Cb -0.08 -3.57 0.22 0.00 0.01 0.00 0.00 72.50 69.08 2djb s THR 30 CO 0.19 0.51 0.78 -0.63 -0.69 0.00 0.00 174.62 174.78 2djb s ILE 31 N -1.15 5.58 0.21 1.82 1.01 0.23 -4.89 121.20 124.01 2djb s ILE 31 Ca 0.23 -2.54 0.11 0.00 0.00 0.00 0.00 60.65 58.45 2djb s ILE 31 Cb -0.14 -4.44 0.21 0.00 0.01 0.00 0.00 42.46 38.10 2djb s ILE 31 CO 0.12 -1.03 0.93 0.41 0.00 0.00 0.00 174.94 175.37 2djb n THR 32 N 3.88 -0.25 -0.33 2.92 -1.04 -1.26 0.79 114.28 118.99 2djb n THR 32 Ca 0.14 1.21 -0.07 0.00 -2.04 0.00 0.00 64.05 63.30 2djb n THR 32 Cb 0.46 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 -0.08 -0.05 -2.82 4.57 -1.97 -2.37 114.58 111.85 2djb h GLU 33 Ca 0.48 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 2djb h GLU 33 Cb 1.24 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2djb h GLU 33 CO -0.47 -0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.31 2djb n LEU 35 N -0.80 -1.49 -4.47 0.00 7.94 0.24 -4.92 117.00 113.49 2djb n LEU 35 Ca 0.10 -1.12 -0.34 0.00 -1.11 0.00 0.00 56.01 53.54 2djb n LEU 35 Cb 0.48 -1.91 -0.13 0.00 0.53 0.00 0.00 43.42 42.40 2djb n LEU 35 CO 0.03 0.33 -0.37 -1.00 -1.11 0.00 0.00 177.39 175.27 2djb s HIS 36 N -3.70 2.98 0.18 1.96 3.76 -1.22 -4.83 115.29 114.41 2djb s HIS 36 Ca 0.41 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.71 2djb s HIS 36 Cb -0.23 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 2djb s HIS 36 CO 0.95 -0.08 0.75 0.99 -0.85 0.00 0.00 174.74 176.51 2djb s THR 37 N 0.38 4.45 -0.18 1.30 2.01 -1.26 -0.60 115.64 121.74 2djb s THR 37 Ca -0.05 1.55 -0.13 0.00 0.31 0.00 0.00 61.69 63.36 2djb s THR 37 Cb -0.15 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.38 2djb s THR 37 CO 0.03 0.43 0.46 -0.36 -0.69 0.00 0.00 174.62 174.49 2djb s PHE 38 N -1.27 -0.59 0.38 4.92 0.08 0.78 -4.80 117.98 117.48 2djb s PHE 38 Ca 0.38 1.33 -0.28 0.00 0.12 0.00 0.00 56.93 58.47 2djb s PHE 38 Cb -0.21 0.24 -0.11 0.00 -0.57 0.00 0.00 43.02 42.38 2djb s PHE 38 CO 0.24 -0.30 1.45 0.00 -0.10 0.00 0.00 175.22 176.51 2djb h LYS 40 N 3.01 -0.46 -0.69 0.00 1.63 -1.93 0.74 116.57 118.86 2djb h LYS 40 Ca -0.51 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.38 2djb h LYS 40 Cb 1.24 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.92 2djb h LYS 40 CO 0.64 -0.30 0.40 0.66 -3.45 0.00 0.00 179.45 177.40 2djb h SER 41 N -0.47 0.61 0.19 4.20 4.64 -1.97 0.43 113.55 121.18 2djb h SER 41 Ca 0.05 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2djb h SER 41 Cb 0.62 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2djb h SER 41 CO -0.52 0.40 -0.09 0.00 -0.87 0.00 0.00 176.83 175.75 2djb h ILE 43 N -0.27 0.71 -0.48 0.00 6.09 0.45 0.63 117.51 124.63 2djb h ILE 43 Ca -0.03 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2djb h ILE 43 Cb 0.20 0.24 -0.02 0.00 0.47 0.00 0.00 36.82 37.70 2djb h ILE 43 CO 0.04 0.08 0.32 0.58 -3.07 0.00 0.00 178.15 176.10 2djb h VAL 44 N 0.43 1.13 0.00 2.19 2.07 -0.14 -1.32 116.25 120.61 2djb h VAL 44 Ca 0.37 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 2djb h VAL 44 Cb 0.51 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2djb h VAL 44 CO -0.36 0.12 -0.56 -0.09 0.02 0.00 0.00 177.57 176.69 2djb h ARG 45 N 0.65 0.00 -0.38 1.57 2.43 0.61 -3.09 114.38 116.16 2djb h ARG 45 Ca 0.18 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 2djb h ARG 45 Cb -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2djb h ARG 45 CO -0.04 0.56 -0.24 1.25 -1.51 0.00 0.00 179.97 180.00 2djb h HIS 46 N 0.00 0.88 0.00 2.20 2.76 0.78 -2.71 115.15 119.06 2djb h HIS 46 Ca -0.01 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 57.91 2djb h HIS 46 Cb 1.07 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 2djb h HIS 46 CO 0.00 0.93 -0.21 0.74 -1.30 0.00 0.00 177.93 178.09 2djb h PHE 47 N 0.67 0.00 -0.88 5.26 0.04 -1.18 0.57 116.94 121.42 2djb h PHE 47 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2djb h PHE 47 Cb 0.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 2djb h PHE 47 CO 0.04 0.21 0.49 1.88 -0.60 0.00 0.00 178.31 180.33 2djb h TYR 48 N 0.00 1.20 0.06 -0.55 0.05 -1.47 -3.23 116.97 113.03 2djb h TYR 48 Ca -0.00 -0.02 -0.32 0.00 0.05 0.00 0.00 58.73 58.43 2djb h TYR 48 Cb 0.50 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2djb h TYR 48 CO 0.00 0.82 -1.77 0.66 -1.05 0.00 0.00 178.16 176.82 2djb n TYR 49 N -4.34 1.03 -3.74 4.88 4.02 -1.04 -4.90 117.16 113.07 2djb n TYR 49 Ca 0.09 0.30 -0.22 0.00 -0.01 0.00 0.00 57.90 58.07 2djb n TYR 49 Cb 0.09 -1.12 -0.18 0.00 -0.02 0.00 0.00 39.34 38.11 2djb n TYR 49 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2djb s SER 50 N -6.97 1.50 0.00 7.72 0.15 0.16 -5.02 113.70 111.25 2djb s SER 50 Ca -0.27 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 2djb s SER 50 Cb 0.07 -0.35 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 2djb s SER 50 CO 0.68 -0.22 2.26 -0.46 1.20 0.00 0.00 173.24 176.69 2djb n ASN 51 N 5.19 4.39 -3.68 5.45 6.94 -1.23 -3.50 115.26 128.82 2djb n ASN 51 Ca -0.06 -2.23 -0.20 0.00 -0.02 0.00 0.00 54.58 52.08 2djb n ASN 51 Cb 0.50 -1.04 -0.08 0.00 -2.36 0.00 0.00 39.78 36.80 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2djb s ARG 52 N 0.76 1.72 -0.11 -3.83 0.52 -1.26 -3.35 118.95 113.40 2djb s ARG 52 Ca 0.23 -2.00 -0.19 0.00 -0.52 0.00 0.00 55.73 53.25 2djb s ARG 52 Cb 0.11 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 2djb s ARG 52 CO 0.00 -0.56 0.50 0.00 0.02 0.00 0.00 175.30 175.26 2djb n PRO 54 N 3.70 0.49 0.00 0.00 -0.04 -1.26 -0.22 135.00 137.67 2djb n PRO 54 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2djb n PRO 54 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.78 0.00 0.06 0.54 3.00 -1.26 -4.83 118.16 114.89 2djb n LYS 55 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.39 2djb n LYS 55 Cb 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 35.03 34.79 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 -2.95 -2.23 -4.70 0.00 3.02 0.69 -4.97 115.26 104.13 2djb n ASN 57 Ca -0.06 -0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 53.92 2djb n ASN 57 Cb 0.80 -2.04 -0.09 0.00 -0.61 0.00 0.00 39.78 37.83 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 -3.12 4.49 -0.83 2.41 -4.36 -1.26 -4.71 121.20 113.82 2djb s ILE 58 Ca 0.02 -0.17 -0.25 0.00 -0.26 0.00 0.00 60.65 59.99 2djb s ILE 58 Cb -0.00 -2.92 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 2djb s ILE 58 CO 0.24 0.59 2.01 -0.69 0.24 0.00 0.00 174.94 177.34 2djb s VAL 59 N -0.74 3.36 0.26 8.37 1.01 -1.26 -2.87 120.40 128.53 2djb s VAL 59 Ca 0.12 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 2djb s VAL 59 Cb -0.12 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2djb s VAL 59 CO 0.02 -0.79 0.81 -0.69 0.00 0.00 0.00 175.10 174.45 2djb s VAL 60 N 10.66 4.44 0.50 2.92 1.01 -1.21 -5.04 120.40 133.68 2djb s VAL 60 Ca 0.74 1.47 0.01 0.00 0.00 0.00 0.00 61.98 64.20 2djb s VAL 60 Cb -0.09 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2djb s VAL 60 CO 0.04 0.17 0.01 -1.00 0.00 0.00 0.00 175.10 174.32 2djb s HIS 61 N -1.57 1.85 -1.08 5.22 3.76 -1.26 -4.83 115.29 117.37 2djb s HIS 61 Ca 0.46 -0.99 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2djb s HIS 61 Cb -0.17 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2djb s HIS 61 CO 0.22 0.18 0.91 1.04 -0.85 0.00 0.00 174.74 176.24 2djb n GLN 62 N -1.24 -6.07 -1.60 1.40 1.13 -1.26 -4.86 117.38 104.88 2djb n GLN 62 Ca -0.18 0.74 -0.46 0.00 -1.94 0.00 0.00 57.00 55.16 2djb n GLN 62 Cb 0.67 -5.47 -0.04 0.00 0.11 0.00 0.00 30.24 25.51 2djb n GLN 62 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2djb n THR 63 N -3.94 0.44 -1.50 5.09 -1.04 -1.26 -4.83 114.28 107.24 2djb n THR 63 Ca -0.20 -0.27 -0.59 0.00 -2.04 0.00 0.00 64.05 60.95 2djb n THR 63 Cb 0.63 -2.12 -0.08 0.00 -1.82 0.00 0.00 70.33 66.94 2djb n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2djb n GLN 64 N 7.84 0.05 -1.19 -2.82 3.00 -1.26 -4.90 117.38 118.09 2djb n GLN 64 Ca 0.29 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 57.00 2djb n GLN 64 Cb 0.35 -1.53 0.15 0.00 0.00 0.00 0.00 30.24 29.21 2djb n GLN 64 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2djb s PRO 65 N 0.03 1.01 -0.06 -1.09 0.04 -1.26 -4.91 135.00 128.75 2djb s PRO 65 Ca 0.91 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.69 2djb s PRO 65 Cb -1.26 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 31.61 2djb s PRO 65 CO 0.57 -2.39 1.04 1.47 0.04 0.00 0.00 177.00 177.73 2djb n LEU 66 N -3.97 3.18 -0.24 -3.56 -0.00 -1.26 -4.56 117.00 106.59 2djb n LEU 66 Ca 0.06 -1.62 0.05 0.00 -0.00 0.00 0.00 56.01 54.51 2djb n LEU 66 Cb 0.56 -0.55 0.12 0.00 -0.00 0.00 0.00 43.42 43.55 2djb n LEU 66 CO 0.56 0.52 0.46 -0.24 -0.00 0.00 0.00 177.39 178.69 2djb n SER 67 N 0.21 -0.20 0.00 1.45 2.88 -1.26 -4.40 113.62 112.29 2djb n SER 67 Ca 0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2djb n SER 67 Cb 0.62 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2djb n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djb n GLY 68 N -1.40 -0.68 0.06 0.46 0.00 -1.26 -5.06 105.19 97.31 2djb n GLY 68 Ca 0.12 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 2djb n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djb h PRO 69 N 0.00 -0.02 -6.50 1.61 0.13 -1.93 -3.43 132.00 121.86 2djb h PRO 69 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2djb h PRO 69 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2djb h PRO 69 CO 0.00 0.46 0.44 0.45 -0.23 0.00 0.00 178.00 179.12 2djb s SER 70 N -5.66 7.29 -0.26 1.44 0.15 -1.26 -5.02 113.70 110.37 2djb s SER 70 Ca -0.16 1.86 -0.03 0.00 0.70 0.00 0.00 55.95 58.32 2djb s SER 70 Cb 0.02 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.90 2djb s SER 70 CO 0.66 -0.28 0.48 -0.44 1.20 0.00 0.00 173.24 174.86 2djb s SER 71 N 0.67 -0.51 0.00 5.45 0.01 -1.26 -5.21 113.70 112.85 2djb s SER 71 Ca 0.53 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2djb s SER 71 Cb -0.25 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.59 2djb s SER 71 CO 0.30 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.28