#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 -0.10 0.09 1.61 1.04 -1.26 -5.18 113.70 109.90 2djb s SER 2 Ca 0.00 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2djb s SER 2 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2djb s SER 2 CO 0.00 -0.33 -0.09 -0.94 0.98 0.00 0.00 173.24 172.86 2djb s SER 3 N -2.69 1.29 0.00 7.02 1.04 -1.26 -5.12 113.70 113.98 2djb s SER 3 Ca 0.12 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2djb s SER 3 Cb 0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2djb s SER 3 CO -0.04 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2djb n GLY 4 N 0.44 0.02 3.23 7.32 0.00 -1.26 -5.05 105.19 109.89 2djb n GLY 4 Ca -0.15 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 2djb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djb n SER 5 N 0.00 -5.03 -4.73 1.61 7.64 -1.26 -4.95 113.62 106.90 2djb n SER 5 Ca 0.00 -0.47 -0.36 0.00 1.01 0.00 0.00 58.87 59.05 2djb n SER 5 Cb 0.00 -4.33 0.07 0.00 -1.01 0.00 0.00 64.21 58.94 2djb n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2djb s SER 6 N -3.43 4.49 0.00 6.43 0.15 -1.26 -4.89 113.70 115.19 2djb s SER 6 Ca 0.40 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.63 2djb s SER 6 Cb -0.18 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2djb s SER 6 CO 0.61 -2.08 0.00 0.61 1.20 0.00 0.00 173.24 173.58 2djb n GLY 7 N 0.81 2.52 0.14 9.45 0.00 -1.26 -5.07 105.19 111.79 2djb n GLY 7 Ca 0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 2djb n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2djb h ASN 8 N 0.00 -0.25 -6.76 1.61 -0.73 -2.04 -3.46 115.58 103.94 2djb h ASN 8 Ca 0.00 0.01 -0.45 0.00 1.87 0.00 0.00 56.30 57.73 2djb h ASN 8 Cb 0.00 0.07 -0.10 0.00 0.27 0.00 0.00 38.32 38.56 2djb h ASN 8 CO 0.00 -0.00 -0.72 -0.11 -0.37 0.00 0.00 177.43 176.23 2djb n LEU 9 N -3.81 -0.45 0.01 0.34 -0.00 -1.26 -4.85 117.00 106.98 2djb n LEU 9 Ca -0.04 -0.94 -0.01 0.00 -0.00 0.00 0.00 56.01 55.02 2djb n LEU 9 Cb 0.12 -1.16 -0.00 0.00 -0.00 0.00 0.00 43.42 42.38 2djb n LEU 9 CO 0.09 0.45 0.07 -1.28 -0.00 0.00 0.00 177.39 176.72 2djb h SER 10 N -1.07 -0.05 -1.08 1.96 0.87 -2.06 -3.47 113.55 108.66 2djb h SER 10 Ca -0.50 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.10 2djb h SER 10 Cb 1.02 0.01 -0.22 0.00 -0.44 0.00 0.00 62.40 62.78 2djb h SER 10 CO 0.46 0.09 -0.34 -1.61 -0.53 0.00 0.00 176.83 174.90 2djb s GLU 11 N -1.55 0.55 -0.11 2.24 8.01 -1.26 -5.02 118.70 121.55 2djb s GLU 11 Ca -0.01 0.74 0.18 0.00 0.01 0.00 0.00 54.97 55.89 2djb s GLU 11 Cb 0.00 0.33 0.43 0.00 -4.31 0.00 0.00 34.13 30.57 2djb s GLU 11 CO 0.03 -0.83 1.19 1.28 0.01 0.00 0.00 175.26 176.93 2djb n LEU 12 N 5.42 1.92 -3.43 1.80 4.77 -1.26 -5.07 117.00 121.15 2djb n LEU 12 Ca 0.02 -3.00 -0.12 0.00 -0.03 0.00 0.00 56.01 52.87 2djb n LEU 12 Cb 0.52 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2djb n LEU 12 CO -0.01 0.99 0.43 0.42 -1.33 0.00 0.00 177.39 177.88 2djb s THR 13 N -1.75 0.00 -1.19 -5.08 -4.23 -1.26 -5.08 115.64 97.05 2djb s THR 13 Ca 0.36 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 2djb s THR 13 Cb 0.38 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 73.13 2djb s THR 13 CO -0.11 0.00 1.93 -2.16 -0.54 0.00 0.00 174.62 173.74 2djb s PRO 14 N -3.61 2.49 1.31 3.99 0.04 -1.26 -4.94 135.00 133.02 2djb s PRO 14 Ca 0.01 -1.18 -0.22 0.00 0.04 0.00 0.00 61.00 59.65 2djb s PRO 14 Cb -0.01 -5.25 0.33 0.00 0.04 0.00 0.00 34.50 29.61 2djb s PRO 14 CO -0.12 -3.99 1.05 0.71 0.04 0.00 0.00 177.00 174.69 2djb s TYR 15 N 11.04 -0.22 -0.18 0.56 1.51 -1.26 -5.01 117.35 123.78 2djb s TYR 15 Ca 0.68 0.42 0.06 0.00 -1.01 0.00 0.00 57.07 57.22 2djb s TYR 15 Cb -0.01 -3.30 -0.16 0.00 -0.11 0.00 0.00 41.96 38.38 2djb s TYR 15 CO 0.13 -4.43 -0.09 -0.89 -1.11 0.00 0.00 175.55 169.17 2djb n ILE 16 N -5.16 1.12 -0.96 2.71 5.41 -1.26 -5.02 119.36 116.20 2djb n ILE 16 Ca 0.15 -0.53 -0.36 0.00 1.00 0.00 0.00 62.75 63.01 2djb n ILE 16 Cb 0.60 -0.97 0.05 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.89 -4.48 -4.83 1.39 4.77 -1.26 -4.73 117.00 104.96 2djb n LEU 17 Ca -0.32 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 2djb n LEU 17 Cb 0.93 -0.76 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2djb n LEU 17 CO 0.25 -4.79 0.73 0.00 -1.33 0.00 0.00 177.39 172.25 2djb n SER 19 N -3.37 2.05 -0.11 0.00 7.64 -1.26 -3.32 113.62 115.26 2djb n SER 19 Ca 0.07 -0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.58 2djb n SER 19 Cb 0.57 1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 65.04 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 -1.73 1.55 0.24 0.44 5.41 -1.26 -4.52 119.36 119.48 2djb n ILE 20 Ca -0.01 -0.56 0.05 0.00 1.00 0.00 0.00 62.75 63.23 2djb n ILE 20 Cb 0.26 -1.54 0.06 0.00 -0.71 0.00 0.00 39.64 37.71 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 0.48 -2.19 -4.28 0.00 4.01 -1.21 -4.89 118.16 110.07 2djb n LYS 22 Ca 0.07 0.13 -0.22 0.00 -0.51 0.00 0.00 58.31 57.77 2djb n LYS 22 Cb 0.28 -4.68 -0.12 0.00 -0.51 0.00 0.00 35.03 30.00 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 -2.54 1.23 0.42 0.72 0.00 -1.26 -4.64 107.32 101.25 2djb s GLY 23 Ca 0.35 -1.29 -0.21 0.00 0.00 0.00 0.00 44.72 43.57 2djb s GLY 23 CO 0.43 -1.31 0.28 -1.72 0.00 0.00 0.00 173.10 170.78 2djb n TYR 24 N 0.85 -1.43 -2.82 1.90 4.01 -1.26 -2.51 117.16 115.91 2djb n TYR 24 Ca -0.18 0.61 -0.35 0.00 -0.16 0.00 0.00 57.90 57.82 2djb n TYR 24 Cb 0.55 -1.87 -0.07 0.00 -0.31 0.00 0.00 39.34 37.65 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 3.19 4.16 -0.06 7.72 1.43 -1.26 -4.84 118.68 129.02 2djb s LEU 25 Ca 0.61 1.74 -0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2djb s LEU 25 Cb -0.62 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 2djb s LEU 25 CO 0.61 -0.19 -0.18 -0.38 0.23 0.00 0.00 176.35 176.43 2djb n ILE 26 N 0.02 1.23 -0.01 -0.59 2.08 -1.26 -4.80 119.36 116.03 2djb n ILE 26 Ca 0.04 0.25 -0.11 0.00 0.56 0.00 0.00 62.75 63.50 2djb n ILE 26 Cb 0.52 -1.96 -0.14 0.00 -0.75 0.00 0.00 39.64 37.31 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 -0.53 0.07 -4.95 4.38 1.82 -1.94 -3.49 116.42 111.78 2djb h ASP 27 Ca 0.00 -0.16 -0.23 0.00 -0.39 0.00 0.00 57.03 56.24 2djb h ASP 27 Cb 0.53 -0.02 0.15 0.00 0.68 0.00 0.00 39.33 40.66 2djb h ASP 27 CO 0.00 1.14 -0.65 0.00 -1.61 0.00 0.00 179.24 178.12 2djb n ALA 28 N -2.62 -1.86 -2.63 -0.78 0.00 -1.26 -4.92 120.51 106.44 2djb n ALA 28 Ca -0.19 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2djb n ALA 28 Cb 1.05 -3.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 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 -3.30 4.48 0.10 0.00 2.01 -1.02 -4.82 115.64 113.09 2djb s THR 29 Ca 0.18 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.84 2djb s THR 29 Cb -0.02 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2djb s THR 29 CO 0.59 -0.54 0.10 -0.89 -0.69 0.00 0.00 174.62 173.19 2djb s THR 30 N 3.72 4.59 0.84 -0.82 2.01 -1.26 -0.48 115.64 124.24 2djb s THR 30 Ca 0.45 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2djb s THR 30 Cb -0.12 -3.24 0.10 0.00 0.01 0.00 0.00 72.50 69.25 2djb s THR 30 CO 0.18 0.07 1.15 -0.63 -0.69 0.00 0.00 174.62 174.70 2djb s ILE 31 N -1.48 2.14 -0.15 1.82 -1.09 -0.40 -4.87 121.20 117.17 2djb s ILE 31 Ca 0.30 0.04 0.16 0.00 -2.23 0.00 0.00 60.65 58.92 2djb s ILE 31 Cb -0.12 -2.93 -0.22 0.00 -1.58 0.00 0.00 42.46 37.61 2djb s ILE 31 CO 0.23 -0.06 0.10 0.41 -1.23 0.00 0.00 174.94 174.39 2djb n THR 32 N -3.49 1.03 -0.01 2.92 -1.04 -1.26 -3.53 114.28 108.90 2djb n THR 32 Ca 0.07 -0.69 -0.00 0.00 -2.04 0.00 0.00 64.05 61.39 2djb n THR 32 Cb 0.60 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.64 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 0.00 0.00 -2.82 4.22 -2.00 -3.39 114.58 110.59 2djb h GLU 33 Ca -0.41 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.02 2djb h GLU 33 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 2djb h GLU 33 CO 0.02 0.00 -0.15 0.00 -2.18 0.00 0.00 179.01 176.70 2djb n LEU 35 N -3.08 -3.51 -4.80 0.00 4.32 -1.23 -4.97 117.00 103.72 2djb n LEU 35 Ca 0.03 -0.50 -0.36 0.00 -0.02 0.00 0.00 56.01 55.17 2djb n LEU 35 Cb 0.56 -2.69 -0.07 0.00 -1.62 0.00 0.00 43.42 39.60 2djb n LEU 35 CO 0.35 0.41 -0.17 -1.00 -1.22 0.00 0.00 177.39 175.77 2djb s HIS 36 N -3.29 3.50 -0.02 -1.77 3.76 -1.26 -4.65 115.29 111.56 2djb s HIS 36 Ca 0.19 0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 55.28 2djb s HIS 36 Cb -0.09 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 2djb s HIS 36 CO 0.62 0.49 0.81 0.99 -0.85 0.00 0.00 174.74 176.80 2djb s THR 37 N -0.28 4.91 -0.19 1.30 2.01 -1.26 -1.27 115.64 120.85 2djb s THR 37 Ca 0.12 1.70 -0.13 0.00 0.31 0.00 0.00 61.69 63.69 2djb s THR 37 Cb -0.12 -4.15 0.06 0.00 0.01 0.00 0.00 72.50 68.30 2djb s THR 37 CO 0.01 0.25 0.47 -0.36 -0.69 0.00 0.00 174.62 174.30 2djb s PHE 38 N 0.65 -0.64 0.13 4.92 0.08 0.37 -4.92 117.98 118.58 2djb s PHE 38 Ca 0.43 1.40 -0.34 0.00 0.12 0.00 0.00 56.93 58.53 2djb s PHE 38 Cb -0.20 0.29 -0.17 0.00 -0.57 0.00 0.00 43.02 42.38 2djb s PHE 38 CO 0.23 -0.34 1.14 0.00 -0.10 0.00 0.00 175.22 176.15 2djb h LYS 40 N 3.39 0.15 0.07 0.00 1.63 -1.91 0.31 116.57 120.20 2djb h LYS 40 Ca -0.44 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2djb h LYS 40 Cb 1.36 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2djb h LYS 40 CO 0.70 0.10 -0.03 0.77 -3.45 0.00 0.00 179.45 177.53 2djb h SER 41 N 0.16 -0.08 0.25 4.20 0.02 -1.98 -1.74 113.55 114.37 2djb h SER 41 Ca 0.47 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2djb h SER 41 Cb 0.88 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2djb h SER 41 CO -0.66 0.25 -0.20 0.00 -1.14 0.00 0.00 176.83 175.08 2djb h ILE 43 N -0.43 0.38 -0.25 0.00 6.09 -0.57 0.48 117.51 123.22 2djb h ILE 43 Ca -0.03 -0.09 -0.12 0.00 -1.37 0.00 0.00 64.86 63.24 2djb h ILE 43 Cb 0.36 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.72 2djb h ILE 43 CO 0.00 0.05 -0.34 0.58 -3.07 0.00 0.00 178.15 175.38 2djb h VAL 44 N 0.28 1.29 -0.29 2.19 2.07 -1.05 -2.47 116.25 118.26 2djb h VAL 44 Ca 0.55 -1.45 -0.15 0.00 0.82 0.00 0.00 66.70 66.46 2djb h VAL 44 Cb 1.07 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2djb h VAL 44 CO -0.60 0.46 -0.42 -0.09 0.02 0.00 0.00 177.57 176.95 2djb h ARG 45 N 0.47 0.72 0.00 1.57 2.43 0.48 -2.91 114.38 117.14 2djb h ARG 45 Ca 0.05 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 2djb h ARG 45 Cb 0.81 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2djb h ARG 45 CO 0.07 1.00 -0.37 1.25 -1.51 0.00 0.00 179.97 180.41 2djb h HIS 46 N 0.59 0.00 0.00 2.20 2.76 -0.40 -2.63 115.15 117.66 2djb h HIS 46 Ca 0.04 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 2djb h HIS 46 Cb 0.96 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2djb h HIS 46 CO 0.05 0.37 -0.30 0.74 -1.30 0.00 0.00 177.93 177.50 2djb h PHE 47 N 0.00 0.00 -0.56 5.26 0.04 -1.25 0.23 116.94 120.66 2djb h PHE 47 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2djb h PHE 47 Cb 0.76 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2djb h PHE 47 CO 0.00 0.30 -0.03 1.88 -0.60 0.00 0.00 178.31 179.86 2djb h TYR 48 N 0.00 1.11 0.07 -0.55 0.05 -1.38 -3.31 116.97 112.97 2djb h TYR 48 Ca -0.00 -0.20 -0.32 0.00 0.05 0.00 0.00 58.73 58.25 2djb h TYR 48 Cb 0.79 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 2djb h TYR 48 CO 0.00 1.01 -1.77 0.66 -1.05 0.00 0.00 178.16 177.01 2djb n TYR 49 N -4.21 1.08 -3.90 4.88 4.01 -1.16 -4.87 117.16 112.99 2djb n TYR 49 Ca 0.02 0.31 -0.28 0.00 -0.16 0.00 0.00 57.90 57.79 2djb n TYR 49 Cb 0.36 -1.13 -0.17 0.00 -0.31 0.00 0.00 39.34 38.09 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 -6.98 2.49 0.00 7.72 0.01 0.78 -5.02 113.70 112.71 2djb s SER 50 Ca -0.26 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 2djb s SER 50 Cb 0.07 -0.88 -0.17 0.00 0.21 0.00 0.00 66.02 65.24 2djb s SER 50 CO 0.69 -0.15 2.65 -0.46 0.41 0.00 0.00 173.24 176.38 2djb n ASN 51 N 4.91 3.94 -3.09 2.44 6.94 -1.24 -3.45 115.26 125.70 2djb n ASN 51 Ca -0.12 -2.21 -0.15 0.00 -0.02 0.00 0.00 54.58 52.07 2djb n ASN 51 Cb 0.49 -1.03 -0.03 0.00 -2.36 0.00 0.00 39.78 36.84 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 1.36 2.01 -0.11 -3.83 0.52 -1.26 -3.59 118.95 114.05 2djb s ARG 52 Ca 0.43 -1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 53.66 2djb s ARG 52 Cb 0.21 0.45 -0.05 0.00 0.52 0.00 0.00 34.95 36.08 2djb s ARG 52 CO 0.00 -0.84 0.40 0.00 0.02 0.00 0.00 175.30 174.88 2djb n PRO 54 N 3.23 0.49 0.02 0.00 -0.04 -1.26 0.50 135.00 137.94 2djb n PRO 54 Ca -0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2djb n PRO 54 Cb 0.52 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.55 0.05 0.03 0.54 3.00 -1.26 -4.83 118.16 115.13 2djb n LYS 55 Ca 0.01 0.02 0.11 0.00 -0.00 0.00 0.00 58.31 58.45 2djb n LYS 55 Cb 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 35.03 34.61 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 -2.08 -3.79 -4.41 0.00 3.02 0.18 -4.93 115.26 103.25 2djb n ASN 57 Ca 0.01 -0.57 -0.32 0.00 -0.03 0.00 0.00 54.58 53.67 2djb n ASN 57 Cb 0.47 -4.51 -0.14 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.32 2.81 -0.68 2.41 -4.36 -1.26 -4.68 121.20 112.12 2djb s ILE 58 Ca 0.18 -0.81 -0.26 0.00 -0.26 0.00 0.00 60.65 59.50 2djb s ILE 58 Cb -0.02 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.50 2djb s ILE 58 CO 0.63 0.58 2.31 -0.69 0.24 0.00 0.00 174.94 178.01 2djb s VAL 59 N -0.48 3.09 -0.02 8.37 1.01 -1.26 -2.50 120.40 128.60 2djb s VAL 59 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2djb s VAL 59 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2djb s VAL 59 CO 0.01 -0.20 0.30 -0.69 0.00 0.00 0.00 175.10 174.52 2djb s VAL 60 N 12.89 5.24 0.16 2.92 1.01 -1.24 -5.01 120.40 136.37 2djb s VAL 60 Ca 0.89 0.45 -0.32 0.00 0.00 0.00 0.00 61.98 63.01 2djb s VAL 60 Cb -0.14 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 2djb s VAL 60 CO 0.14 0.50 0.92 0.00 0.00 0.00 0.00 175.10 176.66 2djb n HIS 61 N 1.58 0.59 -3.25 5.22 1.44 -1.26 -4.79 115.22 114.74 2djb n HIS 61 Ca -0.14 0.85 -0.40 0.00 -2.01 0.00 0.00 57.72 56.02 2djb n HIS 61 Cb 0.53 -2.13 -0.02 0.00 0.12 0.00 0.00 29.99 28.49 2djb n HIS 61 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2djb n GLN 62 N 1.33 3.66 -4.07 -1.40 7.27 -1.26 -5.00 117.38 117.91 2djb n GLN 62 Ca 0.16 -4.54 -0.15 0.00 0.07 0.00 0.00 57.00 52.54 2djb n GLN 62 Cb 0.22 -2.46 -0.14 0.00 2.41 0.00 0.00 30.24 30.27 2djb n GLN 62 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2djb s THR 63 N -2.20 0.30 -0.01 1.69 2.01 -1.26 -5.15 115.64 111.01 2djb s THR 63 Ca 0.32 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2djb s THR 63 Cb 0.01 -0.27 0.08 0.00 0.01 0.00 0.00 72.50 72.33 2djb s THR 63 CO 0.01 0.06 0.70 0.00 -0.69 0.00 0.00 174.62 174.69 2djb s GLN 64 N -0.17 1.06 0.23 4.92 1.03 -1.26 -5.15 119.66 120.31 2djb s GLN 64 Ca 0.01 0.07 -0.30 0.00 0.04 0.00 0.00 55.36 55.17 2djb s GLN 64 Cb -0.02 0.50 -0.09 0.00 0.03 0.00 0.00 33.01 33.43 2djb s GLN 64 CO -0.00 -0.37 1.29 -1.25 -2.54 0.00 0.00 175.29 172.41 2djb s PRO 65 N -1.83 4.41 0.51 9.60 0.04 -1.26 -4.95 135.00 141.52 2djb s PRO 65 Ca -0.07 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 2djb s PRO 65 Cb -0.00 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.23 2djb s PRO 65 CO 0.03 -0.19 -0.19 -0.11 0.04 0.00 0.00 177.00 176.58 2djb n LEU 66 N 2.20 -3.54 0.06 -3.56 7.94 -1.26 -4.95 117.00 113.90 2djb n LEU 66 Ca 0.04 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2djb n LEU 66 Cb 0.43 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2djb n LEU 66 CO 0.58 -4.41 -0.07 -0.24 -1.11 0.00 0.00 177.39 172.14 2djb n SER 67 N 2.35 0.63 0.00 1.96 2.88 -1.26 -5.15 113.62 115.02 2djb n SER 67 Ca 0.06 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2djb n SER 67 Cb 0.43 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 2.90 3.92 2.51 0.46 0.00 -1.26 -5.17 105.19 108.54 2djb n GLY 68 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 2djb n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djb n PRO 69 N -0.67 -2.56 -3.43 1.61 -0.04 -1.26 -4.40 135.00 124.25 2djb n PRO 69 Ca 0.00 -1.25 -0.20 0.00 -0.04 0.00 0.00 63.50 62.01 2djb n PRO 69 Cb 0.00 -1.17 0.08 0.00 -0.04 0.00 0.00 33.50 32.36 2djb n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djb n SER 70 N -4.35 -4.74 -0.39 3.54 2.88 -1.26 -4.90 113.62 104.41 2djb n SER 70 Ca 0.11 -0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.04 2djb n SER 70 Cb 0.42 -4.63 -0.08 0.00 -0.75 0.00 0.00 64.21 59.18 2djb n SER 70 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2djb n SER 71 N -2.69 -0.96 0.00 -3.46 3.41 -1.26 -5.31 113.62 103.35 2djb n SER 71 Ca -0.08 1.67 0.00 0.00 -0.26 0.00 0.00 58.87 60.21 2djb n SER 71 Cb 0.59 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49