#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1osd s THR 2 N 0.00 3.23 0.08 0.00 2.01 -1.26 -1.05 115.64 118.64 1osd s THR 2 Ca 0.00 0.78 0.05 0.00 0.31 0.00 0.00 61.69 62.83 1osd s THR 2 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1osd s THR 2 CO 0.00 0.03 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.71 1osd s GLN 3 N 1.84 0.86 -0.12 4.92 -1.52 0.12 -4.95 119.66 120.81 1osd s GLN 3 Ca 0.68 -1.01 0.01 0.00 -1.95 0.00 0.00 55.36 53.09 1osd s GLN 3 Cb -0.37 -0.85 0.02 0.00 -0.22 0.00 0.00 33.01 31.58 1osd s GLN 3 CO 0.30 0.18 -0.14 0.99 -0.25 0.00 0.00 175.29 176.38 1osd s THR 4 N -1.42 1.44 0.00 -0.19 2.01 -1.26 -0.58 115.64 115.64 1osd s THR 4 Ca -0.00 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1osd s THR 4 Cb -0.09 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1osd s THR 4 CO 0.02 0.43 -0.13 0.54 -0.69 0.00 0.00 174.62 174.79 1osd s VAL 5 N 1.20 1.06 -0.16 3.82 0.11 -0.33 -4.97 120.40 121.12 1osd s VAL 5 Ca -0.02 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.27 1osd s VAL 5 Cb -0.14 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1osd s VAL 5 CO -0.05 0.21 0.07 -0.89 -3.33 0.00 0.00 175.10 171.11 1osd s THR 6 N -0.46 4.86 -0.05 5.04 2.01 -1.26 -0.29 115.64 125.49 1osd s THR 6 Ca 0.04 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1osd s THR 6 Cb -0.06 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1osd s THR 6 CO -0.00 0.50 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.46 1osd s LEU 7 N 0.05 2.33 -0.10 4.42 1.43 0.17 -0.58 118.68 126.41 1osd s LEU 7 Ca 0.06 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 1osd s LEU 7 Cb -0.12 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1osd s LEU 7 CO 0.01 0.29 0.54 -0.55 0.23 0.00 0.00 176.35 176.87 1osd s SER 8 N -0.41 6.77 -0.59 2.29 0.15 0.07 -1.19 113.70 120.80 1osd s SER 8 Ca 0.04 0.92 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1osd s SER 8 Cb -0.12 -2.32 0.17 0.00 -1.71 0.00 0.00 66.02 62.03 1osd s SER 8 CO 0.02 -0.03 0.43 -0.69 1.20 0.00 0.00 173.24 174.16 1osd s VAL 9 N 0.67 2.00 0.51 4.45 1.01 0.12 -2.93 120.40 126.22 1osd s VAL 9 Ca 0.29 -3.65 0.26 0.00 0.00 0.00 0.00 61.98 58.88 1osd s VAL 9 Cb -0.16 -2.33 0.30 0.00 0.00 0.00 0.00 36.38 34.20 1osd s VAL 9 CO 0.13 -1.07 2.16 1.55 0.00 0.00 0.00 175.10 177.86 1osd h PRO 10 N 5.57 0.00 -0.00 2.72 0.13 -1.80 -1.98 132.00 136.64 1osd h PRO 10 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1osd h PRO 10 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1osd h PRO 10 CO 0.59 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1osd n GLY 11 N -1.12 -0.93 2.95 1.56 0.00 -1.26 -4.65 105.19 101.74 1osd n GLY 11 Ca -0.03 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1osd n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1osd n MET 12 N -0.90 2.32 0.00 1.61 0.00 -0.75 -4.58 117.12 114.83 1osd n MET 12 Ca 0.23 -2.35 0.03 0.00 0.00 0.00 0.00 57.70 55.61 1osd n MET 12 Cb 0.13 -3.18 -0.00 0.00 0.00 0.00 0.00 33.22 30.16 1osd n MET 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1osd n THR 13 N 5.61 0.00 -4.13 1.12 -2.24 -1.26 -4.81 114.28 108.56 1osd n THR 13 Ca 0.51 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 1osd n THR 13 Cb 0.40 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 1osd n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1osd h SER 15 N 3.55 0.12 0.24 0.00 4.64 -2.01 -1.80 113.55 118.29 1osd h SER 15 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1osd h SER 15 Cb 1.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1osd h SER 15 CO 0.61 0.08 -0.58 0.00 -0.87 0.00 0.00 176.83 176.08 1osd n ALA 16 N -2.53 3.77 -0.34 5.18 0.00 -1.26 -4.43 120.51 120.90 1osd n ALA 16 Ca -0.01 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.08 1osd n ALA 16 Cb 0.11 -0.99 0.31 0.00 0.00 0.00 0.00 19.45 18.88 1osd n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1osd h PRO 18 N 0.82 0.75 -0.00 0.00 0.11 -1.78 -1.71 132.00 130.20 1osd h PRO 18 Ca 0.54 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.44 1osd h PRO 18 Cb 0.76 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1osd h PRO 18 CO -0.32 0.50 -0.76 0.82 -0.21 0.00 0.00 178.00 178.03 1osd h ILE 19 N 0.77 1.52 -0.65 4.15 2.04 -1.34 -0.87 117.51 123.13 1osd h ILE 19 Ca 0.43 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1osd h ILE 19 Cb 0.45 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1osd h ILE 19 CO -0.28 0.73 0.41 0.74 0.00 0.00 0.00 178.15 179.76 1osd h THR 20 N 0.03 1.18 -0.03 -0.27 2.02 -0.98 0.05 112.91 114.91 1osd h THR 20 Ca -0.01 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1osd h THR 20 Cb 1.34 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1osd h THR 20 CO 0.10 0.18 -0.48 0.58 0.37 0.00 0.00 175.52 176.27 1osd h VAL 21 N 0.88 1.44 0.34 3.16 2.07 -1.05 -2.32 116.25 120.76 1osd h VAL 21 Ca 0.24 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1osd h VAL 21 Cb -0.07 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1osd h VAL 21 CO -0.05 0.56 -0.28 0.50 0.02 0.00 0.00 177.57 178.32 1osd h LYS 22 N -0.15 -0.61 -0.14 1.57 3.64 -1.01 -0.91 116.57 118.96 1osd h LYS 22 Ca -0.05 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1osd h LYS 22 Cb 1.17 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1osd h LYS 22 CO 0.10 -0.41 -0.31 0.87 -2.27 0.00 0.00 179.45 177.43 1osd h LYS 23 N -0.64 -0.36 -1.00 1.90 1.57 -1.01 -0.80 116.57 116.24 1osd h LYS 23 Ca -0.02 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1osd h LYS 23 Cb 0.56 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.85 1osd h LYS 23 CO -0.02 -0.24 0.62 0.00 -0.57 0.00 0.00 179.45 179.24 1osd h ALA 24 N 0.48 1.67 -0.03 3.86 0.00 -1.02 -1.81 119.26 122.41 1osd h ALA 24 Ca 0.10 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1osd h ALA 24 Cb 0.53 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1osd h ALA 24 CO -0.35 -0.02 -0.90 0.82 0.00 0.00 0.00 179.25 178.80 1osd h ILE 25 N 0.79 1.30 0.00 0.00 2.04 -0.68 -3.21 117.51 117.75 1osd h ILE 25 Ca 0.56 -2.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.23 1osd h ILE 25 Cb 0.83 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1osd h ILE 25 CO -0.34 0.66 -0.19 0.28 0.00 0.00 0.00 178.15 178.55 1osd h SER 26 N 0.34 0.00 0.43 1.72 0.02 -0.61 0.43 113.55 115.88 1osd h SER 26 Ca -0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1osd h SER 26 Cb 1.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.10 1osd h SER 26 CO 0.18 0.19 -0.00 0.11 -1.14 0.00 0.00 176.83 176.17 1osd h LYS 27 N 0.00 0.00 -6.27 3.45 1.57 -1.35 -3.44 116.57 110.53 1osd h LYS 27 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1osd h LYS 27 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1osd h LYS 27 CO 0.03 0.00 1.04 0.08 -0.57 0.00 0.00 179.45 180.03 1osd s VAL 28 N -3.95 3.90 -0.15 0.50 1.01 0.14 -4.92 120.40 116.94 1osd s VAL 28 Ca -0.02 1.04 -0.35 0.00 0.00 0.00 0.00 61.98 62.64 1osd s VAL 28 Cb 0.11 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1osd s VAL 28 CO 0.47 -0.28 1.87 1.21 0.00 0.00 0.00 175.10 178.38 1osd n GLU 29 N 7.31 1.91 0.00 2.72 4.07 -1.26 -1.79 120.64 133.60 1osd n GLU 29 Ca 0.17 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1osd n GLU 29 Cb 0.45 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 1osd n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1osd n GLY 30 N 4.49 0.92 3.76 8.31 0.00 -1.26 -4.40 105.19 117.00 1osd n GLY 30 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1osd n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1osd s VAL 31 N -2.00 4.47 -0.23 1.61 1.01 -0.74 -0.80 120.40 123.73 1osd s VAL 31 Ca 0.00 1.79 0.09 0.00 0.00 0.00 0.00 61.98 63.86 1osd s VAL 31 Cb 0.00 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 31.99 1osd s VAL 31 CO 0.00 0.43 -0.07 -1.20 0.00 0.00 0.00 175.10 174.26 1osd n SER 32 N 2.17 1.06 -3.64 3.32 7.64 0.50 -4.98 113.62 119.70 1osd n SER 32 Ca -0.03 -0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.70 1osd n SER 32 Cb 0.49 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 1osd n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1osd s LYS 33 N -2.51 0.69 -0.08 1.43 2.20 -1.10 -4.99 119.74 115.38 1osd s LYS 33 Ca -0.23 1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1osd s LYS 33 Cb 0.08 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1osd s LYS 33 CO 0.71 -0.12 -0.06 0.08 -0.36 0.00 0.00 175.35 175.60 1osd s VAL 34 N 1.21 0.78 -0.05 4.02 1.01 -1.26 -0.61 120.40 125.50 1osd s VAL 34 Ca -0.07 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1osd s VAL 34 Cb -0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1osd s VAL 34 CO -0.13 0.31 -0.21 -1.81 0.00 0.00 0.00 175.10 173.26 1osd s ASP 35 N 1.52 2.65 0.10 3.32 -0.00 -0.66 -4.99 116.67 118.61 1osd s ASP 35 Ca -0.00 -0.44 0.08 0.00 -0.00 0.00 0.00 52.55 52.19 1osd s ASP 35 Cb -0.13 -0.75 -0.04 0.00 -0.00 0.00 0.00 42.92 42.00 1osd s ASP 35 CO -0.05 0.20 -0.17 0.68 -0.00 0.00 0.00 175.17 175.83 1osd s VAL 36 N -0.05 2.91 -0.16 -1.27 -7.23 -1.26 -0.80 120.40 112.55 1osd s VAL 36 Ca -0.04 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1osd s VAL 36 Cb -0.13 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.54 1osd s VAL 36 CO 0.03 0.15 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.07 1osd s THR 37 N -1.11 0.77 0.12 5.32 2.01 0.43 -5.00 115.64 118.19 1osd s THR 37 Ca 0.18 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 1osd s THR 37 Cb -0.11 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 1osd s THR 37 CO 0.10 0.03 1.67 0.15 -0.69 0.00 0.00 174.62 175.88 1osd h PHE 38 N 8.20 0.52 -0.86 4.92 3.04 -1.93 -0.68 116.94 130.15 1osd h PHE 38 Ca -0.20 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.75 1osd h PHE 38 Cb 1.12 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.42 1osd h PHE 38 CO 0.40 0.48 0.55 1.49 -2.02 0.00 0.00 178.31 179.21 1osd h GLU 39 N 0.41 1.02 -0.37 1.11 4.81 -1.95 -2.08 114.58 117.52 1osd h GLU 39 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1osd h GLU 39 Cb 0.18 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1osd h GLU 39 CO -0.01 0.67 0.00 0.25 -0.73 0.00 0.00 179.01 179.19 1osd n THR 40 N -4.57 1.56 -3.99 0.32 -2.24 -1.20 -4.96 114.28 99.21 1osd n THR 40 Ca 0.11 -1.33 -0.33 0.00 -2.27 0.00 0.00 64.05 60.24 1osd n THR 40 Cb 0.12 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1osd n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1osd n ARG 41 N 0.28 -1.69 -4.13 -0.78 1.74 -0.35 -4.81 116.66 106.92 1osd n ARG 41 Ca 0.17 0.28 -0.09 0.00 -0.77 0.00 0.00 57.85 57.44 1osd n ARG 41 Cb 0.66 -3.81 -0.10 0.00 -1.02 0.00 0.00 32.46 28.18 1osd n ARG 41 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1osd s GLN 42 N -6.78 0.72 -0.05 5.56 -2.07 -0.65 0.10 119.66 116.49 1osd s GLN 42 Ca 0.22 -1.25 0.02 0.00 -1.82 0.00 0.00 55.36 52.52 1osd s GLN 42 Cb -0.10 -0.04 0.02 0.00 -1.09 0.00 0.00 33.01 31.80 1osd s GLN 42 CO 0.92 -0.05 -0.08 0.00 -1.32 0.00 0.00 175.29 174.76 1osd s ALA 43 N -3.61 0.95 -0.27 2.60 0.00 -0.33 -0.43 121.76 120.66 1osd s ALA 43 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1osd s ALA 43 Cb 0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1osd s ALA 43 CO -0.07 0.06 0.06 0.08 0.00 0.00 0.00 175.76 175.90 1osd s VAL 44 N 0.73 3.94 -0.14 0.00 1.01 0.02 0.46 120.40 126.42 1osd s VAL 44 Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1osd s VAL 44 Cb -0.15 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1osd s VAL 44 CO 0.02 0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.40 1osd s VAL 45 N 1.52 2.02 -0.20 2.92 1.01 0.60 -1.66 120.40 126.61 1osd s VAL 45 Ca 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1osd s VAL 45 Cb -0.16 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1osd s VAL 45 CO 0.02 0.54 0.06 -0.89 0.00 0.00 0.00 175.10 174.83 1osd s THR 46 N 0.88 4.54 0.20 3.92 2.01 0.22 -1.19 115.64 126.22 1osd s THR 46 Ca -0.06 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 1osd s THR 46 Cb -0.15 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1osd s THR 46 CO -0.03 0.42 0.47 0.72 -0.69 0.00 0.00 174.62 175.51 1osd s PHE 47 N 0.83 0.03 -0.35 4.92 -0.12 0.25 -0.37 117.98 123.17 1osd s PHE 47 Ca 0.03 -0.38 -0.14 0.00 -0.05 0.00 0.00 56.93 56.39 1osd s PHE 47 Cb -0.14 0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1osd s PHE 47 CO 0.02 -0.89 0.30 0.34 -0.05 0.00 0.00 175.22 174.94 1osd s ASP 48 N -2.91 6.12 0.00 1.98 3.68 0.02 0.14 116.67 125.70 1osd s ASP 48 Ca 0.12 -0.40 0.22 0.00 2.13 0.00 0.00 52.55 54.63 1osd s ASP 48 Cb -0.00 -2.17 1.08 0.00 -1.45 0.00 0.00 42.92 40.38 1osd s ASP 48 CO -0.01 -0.30 1.73 -0.90 0.13 0.00 0.00 175.17 175.81 1osd n ASP 49 N 5.24 0.00 0.19 -0.34 3.85 -0.22 -0.63 116.55 124.64 1osd n ASP 49 Ca -0.11 0.13 0.12 0.00 -0.71 0.00 0.00 54.79 54.22 1osd n ASP 49 Cb 0.49 -0.35 0.22 0.00 -1.35 0.00 0.00 41.12 40.13 1osd n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1osd h ALA 50 N 2.97 0.97 0.00 2.12 0.00 -1.93 -3.38 119.26 120.02 1osd h ALA 50 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1osd h ALA 50 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1osd h ALA 50 CO 0.00 0.00 -1.81 1.63 0.00 0.00 0.00 179.25 179.07 1osd n LYS 51 N -2.87 1.93 -3.04 0.00 5.02 0.20 -5.04 118.16 114.36 1osd n LYS 51 Ca 0.04 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 1osd n LYS 51 Cb 0.51 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1osd n LYS 51 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1osd n THR 52 N -2.41 0.00 -4.01 -0.18 5.66 -0.51 -4.82 114.28 108.00 1osd n THR 52 Ca -0.19 -0.92 -0.10 0.00 -3.05 0.00 0.00 64.05 59.80 1osd n THR 52 Cb 0.86 0.71 -0.05 0.00 -1.55 0.00 0.00 70.33 70.30 1osd n THR 52 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1osd s SER 53 N -2.45 0.02 0.29 1.09 1.04 -1.26 -4.13 113.70 108.30 1osd s SER 53 Ca 0.15 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.56 1osd s SER 53 Cb -0.02 0.59 0.44 0.00 0.10 0.00 0.00 66.02 67.13 1osd s SER 53 CO 0.11 -1.16 1.90 0.58 0.98 0.00 0.00 173.24 175.65 1osd h VAL 54 N 2.25 1.21 -0.63 5.02 2.07 -1.99 -1.40 116.25 122.77 1osd h VAL 54 Ca -0.27 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1osd h VAL 54 Cb 1.25 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1osd h VAL 54 CO 0.36 0.25 0.17 -0.61 0.02 0.00 0.00 177.57 177.76 1osd h GLN 55 N 0.93 0.99 -0.18 1.57 5.75 -1.98 0.35 115.11 122.53 1osd h GLN 55 Ca 0.23 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 1osd h GLN 55 Cb 0.08 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1osd h GLN 55 CO -0.03 0.87 -0.39 0.87 -2.65 0.00 0.00 178.83 177.50 1osd h LYS 56 N 0.95 0.40 -0.27 1.69 1.79 -1.76 -0.38 116.57 118.99 1osd h LYS 56 Ca 0.20 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1osd h LYS 56 Cb 0.32 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1osd h LYS 56 CO -0.00 0.73 0.04 -0.07 -1.08 0.00 0.00 179.45 179.06 1osd h LEU 57 N 0.34 0.43 -0.96 2.94 3.38 -0.82 -1.78 115.31 118.83 1osd h LEU 57 Ca 0.03 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1osd h LEU 57 Cb 0.83 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1osd h LEU 57 CO 0.07 0.59 -0.47 0.71 0.09 0.00 0.00 178.44 179.42 1osd h THR 58 N 0.25 1.19 -0.34 0.22 1.35 -0.84 -1.88 112.91 112.86 1osd h THR 58 Ca 0.08 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.19 1osd h THR 58 Cb 0.34 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1osd h THR 58 CO 0.01 0.46 0.01 0.50 -0.25 0.00 0.00 175.52 176.25 1osd h LYS 59 N 0.00 0.60 -0.97 4.72 1.63 -1.04 -1.72 116.57 119.79 1osd h LYS 59 Ca -0.00 -0.18 0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1osd h LYS 59 Cb 0.92 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.42 1osd h LYS 59 CO 0.06 0.71 0.62 0.00 -3.45 0.00 0.00 179.45 177.39 1osd h ALA 60 N 0.87 1.34 -0.36 5.00 0.00 -0.57 -1.42 119.26 124.12 1osd h ALA 60 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1osd h ALA 60 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1osd h ALA 60 CO 0.02 0.40 -0.36 1.79 0.00 0.00 0.00 179.25 181.09 1osd h THR 61 N 1.13 1.28 -0.50 0.00 1.35 -1.28 -2.66 112.91 112.23 1osd h THR 61 Ca 0.42 -1.54 -0.11 0.00 -0.55 0.00 0.00 66.41 64.63 1osd h THR 61 Cb 0.17 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1osd h THR 61 CO -0.17 0.51 -0.12 0.00 -0.25 0.00 0.00 175.52 175.48 1osd h ALA 62 N 0.76 0.84 -0.85 6.62 0.00 -0.83 -0.25 119.26 125.55 1osd h ALA 62 Ca 0.06 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1osd h ALA 62 Cb 0.95 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1osd h ALA 62 CO 0.09 0.65 0.47 -0.44 0.00 0.00 0.00 179.25 180.03 1osd h ASP 63 N 0.83 0.64 0.48 0.00 3.32 -1.27 0.27 116.42 120.70 1osd h ASP 63 Ca 0.13 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1osd h ASP 63 Cb 0.67 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1osd h ASP 63 CO 0.05 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 1osd n ALA 64 N -2.39 2.45 0.00 3.45 0.00 -0.49 -4.87 120.51 118.65 1osd n ALA 64 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1osd n ALA 64 Cb 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1osd n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1osd n GLY 65 N 1.13 1.39 2.55 0.00 0.00 0.95 -5.04 105.19 106.16 1osd n GLY 65 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1osd n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1osd n TYR 66 N -0.02 1.02 -1.54 1.61 4.01 -0.23 -4.95 117.16 117.06 1osd n TYR 66 Ca 0.00 -3.76 -0.40 0.00 -0.16 0.00 0.00 57.90 53.58 1osd n TYR 66 Cb 0.00 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 1osd n TYR 66 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1osd n PRO 67 N 2.17 0.86 -4.08 -0.72 -0.02 -1.26 -3.52 135.00 128.43 1osd n PRO 67 Ca 0.25 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1osd n PRO 67 Cb 0.43 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 1osd n PRO 67 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1osd s SER 68 N -1.00 0.08 0.17 2.55 1.04 -1.26 -4.35 113.70 110.93 1osd s SER 68 Ca 0.67 -1.11 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1osd s SER 68 Cb -0.51 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1osd s SER 68 CO 0.55 -0.92 0.23 -0.94 0.98 0.00 0.00 173.24 173.14 1osd s SER 69 N -3.06 0.10 0.26 7.02 1.04 -1.15 -4.89 113.70 113.03 1osd s SER 69 Ca 0.27 -1.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1osd s SER 69 Cb 0.04 0.42 -0.11 0.00 0.10 0.00 0.00 66.02 66.47 1osd s SER 69 CO 0.07 -0.88 1.55 -0.69 0.98 0.00 0.00 173.24 174.27 1osd s VAL 70 N -4.03 2.29 0.38 5.02 1.01 -1.26 -0.75 120.40 123.07 1osd s VAL 70 Ca 0.23 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 1osd s VAL 70 Cb 0.04 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1osd s VAL 70 CO 0.04 0.04 1.25 1.17 0.00 0.00 0.00 175.10 177.59 1osd n LYS 71 N 2.50 1.94 0.00 2.72 4.81 0.25 -4.66 118.16 125.72 1osd n LYS 71 Ca 0.09 0.69 0.16 0.00 -0.87 0.00 0.00 58.31 58.37 1osd n LYS 71 Cb 0.38 -2.31 0.90 0.00 0.02 0.00 0.00 35.03 34.02 1osd n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57