#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spb n LYS 8 N 0.00 0.68 -3.08 5.31 4.76 -1.26 -4.83 118.16 119.74 1spb n LYS 8 Ca 0.00 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 1spb n LYS 8 Cb 0.00 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 1spb n LYS 8 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1spb s LYS 9 N -2.70 4.03 0.08 1.97 1.02 -1.26 -1.59 119.74 121.29 1spb s LYS 9 Ca -0.09 0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 1spb s LYS 9 Cb 0.08 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1spb s LYS 9 CO 0.84 -0.50 -0.02 0.71 -0.92 0.00 0.00 175.35 175.47 1spb s TYR 10 N 2.60 0.67 -0.15 3.18 1.51 -0.97 -0.72 117.35 123.48 1spb s TYR 10 Ca 0.27 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1spb s TYR 10 Cb -0.15 -0.44 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 1spb s TYR 10 CO 0.10 -0.37 -0.17 0.42 -1.11 0.00 0.00 175.55 174.42 1spb s ILE 11 N -3.89 1.77 -0.33 2.71 1.01 0.22 -0.52 121.20 122.17 1spb s ILE 11 Ca 0.12 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 1spb s ILE 11 Cb 0.07 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1spb s ILE 11 CO -0.06 0.49 0.38 -0.69 0.00 0.00 0.00 174.94 175.06 1spb s VAL 12 N 1.26 5.15 -0.12 2.92 1.01 0.24 -1.58 120.40 129.30 1spb s VAL 12 Ca 0.02 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1spb s VAL 12 Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1spb s VAL 12 CO -0.09 -0.07 0.67 -0.83 0.00 0.00 0.00 175.10 174.78 1spb s GLY 13 N 1.73 2.40 0.16 4.51 0.00 0.12 -1.14 107.32 115.09 1spb s GLY 13 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.78 1spb s GLY 13 CO 0.12 1.21 0.40 -1.36 0.00 0.00 0.00 173.10 173.47 1spb s PHE 14 N 1.19 3.47 -0.03 1.90 0.08 0.48 0.39 117.98 125.45 1spb s PHE 14 Ca 0.34 0.60 -0.21 0.00 0.12 0.00 0.00 56.93 57.78 1spb s PHE 14 Cb -0.17 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1spb s PHE 14 CO 0.15 0.41 0.61 0.15 -0.10 0.00 0.00 175.22 176.43 1spb s LYS 15 N -2.69 4.35 -0.16 0.44 1.02 -0.77 -4.52 119.74 117.41 1spb s LYS 15 Ca 0.42 0.74 -0.16 0.00 0.02 0.00 0.00 55.97 56.99 1spb s LYS 15 Cb -0.12 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1spb s LYS 15 CO 0.24 0.28 -0.30 0.00 -0.92 0.00 0.00 175.35 174.65 1spb n GLN 16 N 3.04 0.47 0.00 1.68 10.64 -1.26 0.24 117.38 132.20 1spb n GLN 16 Ca -0.06 0.21 0.13 0.00 -1.83 0.00 0.00 57.00 55.46 1spb n GLN 16 Cb 0.51 -1.35 0.41 0.00 -0.86 0.00 0.00 30.24 28.95 1spb n GLN 16 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1spb n THR 17 N -4.27 0.00 0.16 -0.39 -1.04 -1.26 -2.18 114.28 105.30 1spb n THR 17 Ca -0.12 -0.30 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 1spb n THR 17 Cb 0.45 0.74 0.07 0.00 -1.82 0.00 0.00 70.33 69.78 1spb n THR 17 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1spb h MET 18 N 2.83 0.00 0.00 -2.82 4.05 -1.94 -3.49 114.93 113.56 1spb h MET 18 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1spb h MET 18 Cb 0.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1spb h MET 18 CO 0.00 0.16 0.00 0.43 0.23 0.00 0.00 176.91 177.73 1spb n SER 19 N -3.03 -0.96 -4.14 1.39 7.64 -0.93 -4.74 113.62 108.85 1spb n SER 19 Ca 0.01 0.41 -0.23 0.00 1.01 0.00 0.00 58.87 60.08 1spb n SER 19 Cb 0.62 1.16 -0.15 0.00 -1.01 0.00 0.00 64.21 64.83 1spb n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1spb s THR 20 N -2.00 1.22 0.05 0.44 2.01 0.67 -4.86 115.64 113.17 1spb s THR 20 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1spb s THR 20 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1spb s THR 20 CO 0.00 0.25 0.00 0.23 -0.69 0.00 0.00 174.62 174.41 1spb n MET 21 N 2.46 0.00 -1.87 4.92 2.81 -1.26 -4.01 117.12 120.16 1spb n MET 21 Ca -0.15 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.36 1spb n MET 21 Cb 0.55 -0.06 0.04 0.00 -0.71 0.00 0.00 33.22 33.04 1spb n MET 21 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1spb s SER 22 N -4.71 5.22 0.42 7.83 1.04 -1.26 -4.79 113.70 117.45 1spb s SER 22 Ca 0.00 2.62 0.08 0.00 0.48 0.00 0.00 55.95 59.13 1spb s SER 22 Cb 0.00 -2.62 0.88 0.00 0.10 0.00 0.00 66.02 64.38 1spb s SER 22 CO 0.00 -1.59 2.04 0.00 0.98 0.00 0.00 173.24 174.67 1spb h ALA 23 N 1.24 1.70 -0.01 5.32 0.00 -2.00 0.84 119.26 126.35 1spb h ALA 23 Ca -0.51 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 1spb h ALA 23 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1spb h ALA 23 CO 0.56 0.26 -0.82 0.00 0.00 0.00 0.00 179.25 179.25 1spb h ALA 24 N 1.75 0.61 -0.08 0.00 0.00 -1.99 -1.37 119.26 118.17 1spb h ALA 24 Ca 0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 1spb h ALA 24 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1spb h ALA 24 CO -0.02 0.91 -0.48 -0.22 0.00 0.00 0.00 179.25 179.44 1spb h LYS 25 N 0.08 0.48 -0.92 0.00 1.63 -1.53 -2.57 116.57 113.74 1spb h LYS 25 Ca -0.03 -0.40 0.12 0.00 -0.85 0.00 0.00 60.65 59.50 1spb h LYS 25 Cb 1.42 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 33.05 1spb h LYS 25 CO 0.12 1.03 0.54 0.87 -3.45 0.00 0.00 179.45 178.57 1spb h LYS 26 N 0.04 0.81 -0.21 1.90 1.57 0.81 0.68 116.57 122.18 1spb h LYS 26 Ca -0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1spb h LYS 26 Cb 1.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1spb h LYS 26 CO 0.10 0.54 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.12 1spb h LYS 27 N 0.84 0.49 -0.18 3.15 3.11 -1.35 -2.90 116.57 119.73 1spb h LYS 27 Ca 0.47 -0.25 -0.07 0.00 -2.81 0.00 0.00 60.65 57.99 1spb h LYS 27 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1spb h LYS 27 CO -0.29 0.82 -0.18 0.22 -2.81 0.00 0.00 179.45 177.21 1spb h ASP 28 N 0.17 0.47 -1.05 4.20 3.58 -1.09 -1.04 116.42 121.66 1spb h ASP 28 Ca 0.04 -0.48 0.28 0.00 0.42 0.00 0.00 57.03 57.28 1spb h ASP 28 Cb 0.72 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.55 1spb h ASP 28 CO 0.05 0.85 0.69 0.58 -2.88 0.00 0.00 179.24 178.53 1spb h VAL 29 N 0.09 0.51 0.04 2.25 2.07 -0.85 0.11 116.25 120.48 1spb h VAL 29 Ca 0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1spb h VAL 29 Cb 0.72 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1spb h VAL 29 CO 0.04 0.06 -0.02 0.40 0.02 0.00 0.00 177.57 178.07 1spb h ILE 30 N 0.31 0.00 -0.17 4.57 2.04 -1.29 -3.31 117.51 119.66 1spb h ILE 30 Ca 0.58 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1spb h ILE 30 Cb 1.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1spb h ILE 30 CO -0.23 0.00 0.17 0.77 0.00 0.00 0.00 178.15 178.86 1spb h SER 31 N -0.83 0.00 -0.09 1.72 4.64 -0.96 -0.02 113.55 118.01 1spb h SER 31 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1spb h SER 31 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1spb h SER 31 CO 0.01 0.00 0.03 -0.33 -0.87 0.00 0.00 176.83 175.67 1spb h GLU 32 N 0.00 0.19 -0.41 4.77 4.39 -0.86 -2.38 114.58 120.27 1spb h GLU 32 Ca 0.08 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1spb h GLU 32 Cb 0.42 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1spb h GLU 32 CO -0.00 0.18 0.06 1.63 -1.16 0.00 0.00 179.01 179.72 1spb n LYS 33 N -4.45 2.75 -1.15 2.33 4.76 -0.74 -4.93 118.16 116.72 1spb n LYS 33 Ca -0.01 -3.01 -0.05 0.00 -2.87 0.00 0.00 58.31 52.37 1spb n LYS 33 Cb 0.13 -1.93 -0.02 0.00 -1.84 0.00 0.00 35.03 31.37 1spb n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1spb n GLY 34 N -0.64 0.77 3.91 0.72 0.00 -0.90 -4.03 105.19 105.02 1spb n GLY 34 Ca 0.30 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1spb n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1spb s GLY 35 N -2.78 1.58 -0.33 -0.02 0.00 -0.10 -4.74 107.32 100.94 1spb s GLY 35 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 1spb s GLY 35 CO 0.00 -0.36 0.12 1.25 0.00 0.00 0.00 173.10 174.11 1spb s LYS 36 N -4.94 0.71 -0.05 2.90 2.36 0.04 -3.51 119.74 117.25 1spb s LYS 36 Ca 0.52 -1.14 -0.38 0.00 -2.55 0.00 0.00 55.97 52.43 1spb s LYS 36 Cb -0.10 -1.90 -0.16 0.00 -1.05 0.00 0.00 37.83 34.61 1spb s LYS 36 CO 0.46 -1.02 1.50 1.55 1.55 0.00 0.00 175.35 179.38 1spb n VAL 37 N 4.69 0.12 -0.00 4.02 3.14 -1.26 -0.14 118.33 128.91 1spb n VAL 37 Ca -0.00 -0.02 -0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1spb n VAL 37 Cb 0.41 -1.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.19 1spb n VAL 37 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1spb n GLN 38 N 3.65 0.01 -3.66 1.45 1.13 0.29 -4.86 117.38 115.39 1spb n GLN 38 Ca 0.21 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.06 1spb n GLN 38 Cb 0.17 -0.51 -0.18 0.00 0.11 0.00 0.00 30.24 29.84 1spb n GLN 38 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1spb s LYS 39 N -1.02 -0.01 -0.42 -1.09 2.47 -1.22 -4.97 119.74 113.48 1spb s LYS 39 Ca -0.00 0.23 -0.23 0.00 -1.56 0.00 0.00 55.97 54.40 1spb s LYS 39 Cb 0.00 -0.93 0.02 0.00 -1.46 0.00 0.00 37.83 35.46 1spb s LYS 39 CO 0.00 -0.43 0.80 -0.65 0.16 0.00 0.00 175.35 175.23 1spb s GLN 40 N 2.15 3.56 0.35 4.03 -0.21 -1.26 -0.84 119.66 127.43 1spb s GLN 40 Ca 0.04 0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.22 1spb s GLN 40 Cb -0.13 -3.89 -0.11 0.00 1.00 0.00 0.00 33.01 29.89 1spb s GLN 40 CO -0.05 -1.02 1.42 -0.06 -2.12 0.00 0.00 175.29 173.46 1spb s PHE 41 N 3.26 2.80 0.07 0.91 0.08 -0.83 -5.00 117.98 119.27 1spb s PHE 41 Ca 0.31 1.24 -0.15 0.00 0.12 0.00 0.00 56.93 58.45 1spb s PHE 41 Cb -0.12 -3.88 -0.22 0.00 -0.57 0.00 0.00 43.02 38.23 1spb s PHE 41 CO 0.21 -2.55 1.19 -0.22 -0.10 0.00 0.00 175.22 173.75 1spb h LYS 42 N 3.37 0.66 0.00 0.44 3.64 -1.96 -3.42 116.57 119.30 1spb h LYS 42 Ca -0.50 -0.67 -0.03 0.00 -1.27 0.00 0.00 60.65 58.18 1spb h LYS 42 Cb 1.23 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1spb h LYS 42 CO 0.66 1.27 -1.13 0.66 -2.27 0.00 0.00 179.45 178.64 1spb n TYR 43 N -3.95 0.00 -2.56 1.91 4.01 -1.26 -4.99 117.16 110.33 1spb n TYR 43 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 1spb n TYR 43 Cb 0.81 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.73 1spb n TYR 43 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1spb s VAL 44 N -2.04 4.45 -1.45 -0.72 1.01 -1.26 -4.92 120.40 115.45 1spb s VAL 44 Ca -0.03 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 1spb s VAL 44 Cb 0.01 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1spb s VAL 44 CO 0.05 0.09 2.54 -0.67 0.00 0.00 0.00 175.10 177.11 1spb n ASP 45 N 4.35 6.08 -3.53 3.32 2.03 -1.26 -4.52 116.55 123.02 1spb n ASP 45 Ca 0.08 -2.67 -0.11 0.00 0.52 0.00 0.00 54.79 52.62 1spb n ASP 45 Cb 0.48 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 39.32 1spb n ASP 45 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1spb s ALA 46 N 2.86 -1.50 -0.01 -1.67 0.00 -1.26 0.18 121.76 120.36 1spb s ALA 46 Ca 0.57 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1spb s ALA 46 Cb 0.16 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1spb s ALA 46 CO -0.06 -0.84 0.12 0.00 0.00 0.00 0.00 175.76 174.99 1spb s ALA 47 N -3.79 -0.29 0.11 0.00 0.00 -0.29 -1.97 121.76 115.52 1spb s ALA 47 Ca 0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1spb s ALA 47 Cb -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 1spb s ALA 47 CO -0.08 -0.16 1.08 -1.54 0.00 0.00 0.00 175.76 175.06 1spb s SER 48 N -0.93 7.27 0.02 0.00 1.04 -0.02 0.82 113.70 121.91 1spb s SER 48 Ca -0.10 1.95 -0.02 0.00 0.48 0.00 0.00 55.95 58.25 1spb s SER 48 Cb -0.06 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1spb s SER 48 CO 0.01 -0.27 0.02 0.00 0.98 0.00 0.00 173.24 173.98 1spb s ALA 49 N 0.36 0.03 -0.42 5.32 0.00 0.33 0.11 121.76 127.49 1spb s ALA 49 Ca 0.52 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 1spb s ALA 49 Cb -0.27 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1spb s ALA 49 CO 0.31 -0.21 0.48 0.99 0.00 0.00 0.00 175.76 177.33 1spb s THR 50 N -1.83 5.03 -0.06 0.00 2.01 0.81 -2.29 115.64 119.31 1spb s THR 50 Ca -0.12 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1spb s THR 50 Cb -0.07 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1spb s THR 50 CO -0.02 -0.43 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.61 1spb s LEU 51 N 2.29 1.63 0.89 4.42 2.01 -0.62 -0.78 118.68 128.52 1spb s LEU 51 Ca 0.15 -0.29 -0.13 0.00 0.01 0.00 0.00 54.13 53.87 1spb s LEU 51 Cb -0.16 -0.80 0.13 0.00 0.01 0.00 0.00 46.19 45.37 1spb s LEU 51 CO 0.15 0.03 1.19 0.54 1.01 0.00 0.00 176.35 179.27 1spb s ASN 52 N 0.67 3.71 0.55 2.29 2.20 -1.26 -4.29 114.94 118.81 1spb s ASN 52 Ca -0.14 0.73 0.25 0.00 -0.94 0.00 0.00 52.86 52.76 1spb s ASN 52 Cb -0.16 -1.15 1.45 0.00 -2.00 0.00 0.00 41.25 39.40 1spb s ASN 52 CO 0.04 -2.40 2.04 -0.08 -2.94 0.00 0.00 177.10 173.76 1spb h GLU 53 N -1.40 0.00 0.08 3.55 4.81 -1.99 -1.56 114.58 118.07 1spb h GLU 53 Ca -0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1spb h GLU 53 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1spb h GLU 53 CO 0.57 0.00 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.60 1spb h LYS 54 N 0.00 -0.10 -0.73 1.92 1.63 -1.95 -2.63 116.57 114.72 1spb h LYS 54 Ca 0.16 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1spb h LYS 54 Cb 0.72 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.33 1spb h LYS 54 CO -0.00 0.46 0.48 0.00 -3.45 0.00 0.00 179.45 176.93 1spb h ALA 55 N -0.08 1.79 0.23 5.00 0.00 -1.52 0.21 119.26 124.90 1spb h ALA 55 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1spb h ALA 55 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1spb h ALA 55 CO 0.02 0.07 -0.11 0.28 0.00 0.00 0.00 179.25 179.50 1spb h VAL 56 N 0.67 0.83 -0.44 0.00 2.07 -1.35 0.63 116.25 118.66 1spb h VAL 56 Ca 0.33 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1spb h VAL 56 Cb 0.40 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1spb h VAL 56 CO -0.11 0.13 -0.16 0.50 0.02 0.00 0.00 177.57 177.94 1spb h LYS 57 N -0.63 0.84 -0.29 1.57 1.63 -1.08 0.61 116.57 119.21 1spb h LYS 57 Ca -0.03 -0.31 -0.04 0.00 -0.85 0.00 0.00 60.65 59.42 1spb h LYS 57 Cb 0.45 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1spb h LYS 57 CO 0.05 0.94 0.03 0.93 -3.45 0.00 0.00 179.45 177.95 1spb h GLU 58 N 0.74 0.50 -0.46 1.90 5.08 -0.51 -2.96 114.58 118.88 1spb h GLU 58 Ca 0.11 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1spb h GLU 58 Cb 0.68 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1spb h GLU 58 CO 0.05 0.62 0.01 -0.07 -1.00 0.00 0.00 179.01 178.62 1spb h LEU 59 N 0.30 0.71 -1.60 1.33 3.38 -0.90 -2.47 115.31 116.06 1spb h LEU 59 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1spb h LEU 59 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1spb h LEU 59 CO 0.01 0.77 0.05 0.11 0.09 0.00 0.00 178.44 179.47 1spb h LYS 60 N 0.70 0.30 0.00 1.13 1.57 -0.74 -2.94 116.57 116.60 1spb h LYS 60 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1spb h LYS 60 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1spb h LYS 60 CO 0.02 0.29 -0.52 1.63 -0.57 0.00 0.00 179.45 180.30 1spb n LYS 61 N -4.41 0.01 -2.00 3.15 4.76 -0.97 -4.95 118.16 113.76 1spb n LYS 61 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1spb n LYS 61 Cb 0.15 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1spb n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1spb s ASP 62 N -3.05 6.64 0.54 4.39 -1.08 -0.99 -4.91 116.67 118.22 1spb s ASP 62 Ca 0.11 2.63 0.35 0.00 -0.52 0.00 0.00 52.55 55.11 1spb s ASP 62 Cb 0.17 -2.61 1.89 0.00 -1.46 0.00 0.00 42.92 40.92 1spb s ASP 62 CO 0.70 -0.74 2.06 1.55 0.52 0.00 0.00 175.17 179.27 1spb h PRO 63 N 5.69 0.00 -0.00 4.34 0.13 -1.92 -2.18 132.00 138.06 1spb h PRO 63 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1spb h PRO 63 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1spb h PRO 63 CO 0.82 0.00 -0.57 0.43 -0.23 0.00 0.00 178.00 178.45 1spb n SER 64 N -2.75 0.64 -4.59 1.44 7.64 -1.26 -4.53 113.62 110.21 1spb n SER 64 Ca -0.02 -0.44 -0.34 0.00 1.01 0.00 0.00 58.87 59.08 1spb n SER 64 Cb 0.10 0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 1spb n SER 64 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1spb s VAL 65 N -2.96 4.40 -0.19 0.44 1.01 -0.82 -1.85 120.40 120.43 1spb s VAL 65 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1spb s VAL 65 Cb 0.17 -2.95 -0.22 0.00 0.00 0.00 0.00 36.38 33.38 1spb s VAL 65 CO 0.72 0.49 0.08 0.00 0.00 0.00 0.00 175.10 176.38 1spb n ALA 66 N 3.42 1.20 -3.48 5.51 0.00 0.16 -4.78 120.51 122.55 1spb n ALA 66 Ca -0.17 -0.88 -0.17 0.00 0.00 0.00 0.00 53.44 52.22 1spb n ALA 66 Cb 0.52 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 1spb n ALA 66 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1spb s TYR 67 N -2.54 -0.60 -0.11 0.00 -0.85 -1.18 -4.99 117.35 107.09 1spb s TYR 67 Ca -0.27 0.94 -0.03 0.00 -0.52 0.00 0.00 57.07 57.19 1spb s TYR 67 Cb 0.08 0.41 0.04 0.00 0.38 0.00 0.00 41.96 42.87 1spb s TYR 67 CO 0.69 -0.63 0.05 0.08 -1.52 0.00 0.00 175.55 174.23 1spb s VAL 68 N -1.60 0.09 0.07 -3.49 1.01 -1.26 0.15 120.40 115.37 1spb s VAL 68 Ca -0.09 0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1spb s VAL 68 Cb -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1spb s VAL 68 CO 0.06 0.00 -0.11 -1.83 0.00 0.00 0.00 175.10 173.22 1spb s GLU 69 N 2.08 0.73 0.29 2.72 -1.05 -0.61 -5.01 118.70 117.85 1spb s GLU 69 Ca 0.03 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 1spb s GLU 69 Cb -0.14 -0.60 -0.10 0.00 -0.44 0.00 0.00 34.13 32.86 1spb s GLU 69 CO -0.06 0.12 1.28 -1.21 0.95 0.00 0.00 175.26 176.34 1spb s GLU 70 N -1.92 4.41 -1.11 -4.83 2.02 -1.26 0.70 118.70 116.71 1spb s GLU 70 Ca -0.03 2.12 -0.21 0.00 0.02 0.00 0.00 54.97 56.87 1spb s GLU 70 Cb -0.08 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.09 1spb s GLU 70 CO 0.01 -0.14 1.52 0.34 0.02 0.00 0.00 175.26 177.02 1spb s ASP 71 N -0.36 6.64 0.92 -0.19 2.15 0.10 -4.58 116.67 121.35 1spb s ASP 71 Ca 0.50 -1.86 -0.11 0.00 0.43 0.00 0.00 52.55 51.51 1spb s ASP 71 Cb -0.38 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.80 1spb s ASP 71 CO 0.48 -1.35 0.95 1.41 -0.17 0.00 0.00 175.17 176.49 1spb n HIS 72 N 8.48 0.26 -4.21 -5.34 8.25 -1.26 -4.82 115.22 116.58 1spb n HIS 72 Ca 0.38 0.36 -0.34 0.00 -0.26 0.00 0.00 57.72 57.85 1spb n HIS 72 Cb 0.49 -1.95 -0.11 0.00 1.12 0.00 0.00 29.99 29.54 1spb n HIS 72 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1spb s VAL 73 N -2.54 4.21 0.09 1.59 1.01 -1.26 -5.11 120.40 118.39 1spb s VAL 73 Ca 0.65 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1spb s VAL 73 Cb -0.23 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1spb s VAL 73 CO 0.60 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 176.08 1spb s ALA 74 N 0.50 3.01 0.18 5.51 0.00 -1.26 -5.14 121.76 124.56 1spb s ALA 74 Ca -0.01 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1spb s ALA 74 Cb -0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1spb s ALA 74 CO 0.02 0.65 -0.10 -3.38 0.00 0.00 0.00 175.76 172.94 1spb s HIS 75 N -1.21 1.48 0.02 0.00 -3.43 -1.26 -5.13 115.29 105.77 1spb s HIS 75 Ca 0.22 -0.71 -0.30 0.00 -0.80 0.00 0.00 55.06 53.47 1spb s HIS 75 Cb -0.11 -0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 30.26 1spb s HIS 75 CO 0.14 0.18 1.04 0.00 -2.00 0.00 0.00 174.74 174.10 1spb s ALA 76 N -3.20 3.23 -2.11 -1.38 0.00 -1.26 -5.37 121.76 111.68 1spb s ALA 76 Ca 0.20 0.63 0.31 0.00 0.00 0.00 0.00 51.96 53.10 1spb s ALA 76 Cb 0.02 -3.37 1.72 0.00 0.00 0.00 0.00 23.12 21.49 1spb s ALA 76 CO 0.04 -0.30 2.12 0.66 0.00 0.00 0.00 175.76 178.29