#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afj s THR 2 N 0.00 -0.29 0.23 0.00 -4.23 -1.25 -2.35 115.64 107.75 1afj s THR 2 Ca 0.00 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1afj s THR 2 Cb 0.00 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 1afj s THR 2 CO 0.00 -0.63 0.07 -1.10 -0.54 0.00 0.00 174.62 172.43 1afj s GLN 3 N 1.34 2.57 0.00 3.99 -1.52 -0.29 -4.85 119.66 120.90 1afj s GLN 3 Ca 0.18 -1.18 0.01 0.00 -1.95 0.00 0.00 55.36 52.42 1afj s GLN 3 Cb -0.15 -2.38 -0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1afj s GLN 3 CO -0.02 0.41 -0.04 0.99 -0.25 0.00 0.00 175.29 176.37 1afj s THR 4 N -2.07 0.32 0.16 -0.19 2.01 -1.26 -0.79 115.64 113.82 1afj s THR 4 Ca 0.31 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1afj s THR 4 Cb -0.08 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1afj s THR 4 CO 0.21 -0.00 0.24 0.68 -0.69 0.00 0.00 174.62 175.07 1afj s VAL 5 N -0.32 0.07 0.12 3.82 -7.23 -0.46 -4.86 120.40 111.54 1afj s VAL 5 Ca -0.01 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1afj s VAL 5 Cb -0.03 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1afj s VAL 5 CO -0.00 -0.31 0.05 0.28 -0.31 0.00 0.00 175.10 174.81 1afj s THR 6 N -3.99 4.23 0.18 5.32 -1.32 -0.52 -1.29 115.64 118.24 1afj s THR 6 Ca 0.19 -1.01 0.08 0.00 -1.21 0.00 0.00 61.69 59.74 1afj s THR 6 Cb 0.04 -3.07 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1afj s THR 6 CO 0.01 0.03 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.53 1afj s LEU 7 N -2.61 2.48 -0.21 9.08 1.02 0.28 -1.66 118.68 127.05 1afj s LEU 7 Ca 0.28 -0.91 -0.04 0.00 0.02 0.00 0.00 54.13 53.48 1afj s LEU 7 Cb -0.11 -0.75 0.07 0.00 0.02 0.00 0.00 46.19 45.42 1afj s LEU 7 CO 0.21 -0.09 0.08 0.00 0.02 0.00 0.00 176.35 176.56 1afj s ALA 8 N -2.37 0.77 -0.43 4.21 0.00 0.10 -1.43 121.76 122.60 1afj s ALA 8 Ca 0.17 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1afj s ALA 8 Cb -0.04 -1.20 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1afj s ALA 8 CO 0.06 -1.30 0.27 0.08 0.00 0.00 0.00 175.76 174.88 1afj s VAL 9 N 1.98 4.00 -2.00 0.00 1.01 -0.55 -0.76 120.40 124.08 1afj s VAL 9 Ca 0.03 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1afj s VAL 9 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1afj s VAL 9 CO -0.15 -0.62 0.56 -0.81 0.00 0.00 0.00 175.10 174.08 1afj n PRO 10 N 4.84 0.56 0.00 2.72 -0.04 -1.26 -2.73 135.00 139.09 1afj n PRO 10 Ca -0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1afj n PRO 10 Cb 0.42 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1afj n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1afj n GLY 11 N 0.06 -0.13 3.89 0.55 0.00 -1.26 -4.97 105.19 103.34 1afj n GLY 11 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1afj n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1afj s MET 12 N -2.12 3.67 -0.15 1.61 -1.94 -1.10 -4.94 119.30 114.33 1afj s MET 12 Ca 0.13 0.03 0.01 0.00 -1.71 0.00 0.00 55.69 54.15 1afj s MET 12 Cb 0.14 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 34.26 1afj s MET 12 CO 0.48 0.36 0.76 -2.37 -0.01 0.00 0.00 175.02 174.25 1afj n THR 13 N -0.25 0.00 0.00 2.05 5.66 -1.26 -4.79 114.28 115.69 1afj n THR 13 Ca -0.01 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1afj n THR 13 Cb 0.52 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1afj n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afj n ALA 15 N -0.05 2.08 0.00 0.00 0.00 -1.26 -3.66 120.51 117.62 1afj n ALA 15 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1afj n ALA 15 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 15.95 1afj n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj n ALA 16 N 13.50 0.00 -0.02 0.00 0.00 -1.26 -5.01 120.51 127.72 1afj n ALA 16 Ca 0.46 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 1afj n ALA 16 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 1afj n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj h PRO 18 N -0.47 -0.21 -0.03 0.00 0.11 -1.89 0.20 132.00 129.71 1afj h PRO 18 Ca -0.31 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.83 1afj h PRO 18 Cb 1.64 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.79 1afj h PRO 18 CO -0.00 -0.14 0.05 0.82 -0.21 0.00 0.00 178.00 178.51 1afj h ILE 19 N -0.22 0.37 0.00 4.15 2.04 -1.81 0.46 117.51 122.49 1afj h ILE 19 Ca 0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1afj h ILE 19 Cb 0.34 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1afj h ILE 19 CO -0.23 0.00 -0.19 0.74 0.00 0.00 0.00 178.15 178.47 1afj h THR 20 N 0.00 0.81 0.00 -0.27 2.02 -0.58 0.34 112.91 115.23 1afj h THR 20 Ca 0.02 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 1afj h THR 20 Cb 0.11 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1afj h THR 20 CO -0.00 0.19 -0.34 0.58 0.37 0.00 0.00 175.52 176.32 1afj h VAL 21 N 0.00 0.94 -0.26 3.16 2.07 -0.69 -0.48 116.25 120.98 1afj h VAL 21 Ca -0.00 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 1afj h VAL 21 Cb 0.44 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1afj h VAL 21 CO 0.03 0.34 -0.14 0.50 0.02 0.00 0.00 177.57 178.31 1afj h LYS 22 N 0.00 0.56 0.00 1.57 3.64 -0.98 -2.54 116.57 118.82 1afj h LYS 22 Ca -0.00 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 1afj h LYS 22 Cb 0.76 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1afj h LYS 22 CO 0.04 0.82 -0.36 0.87 -2.27 0.00 0.00 179.45 178.55 1afj h LYS 23 N 0.28 0.00 -0.52 1.90 6.56 -1.18 -2.74 116.57 120.88 1afj h LYS 23 Ca 0.06 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.66 1afj h LYS 23 Cb 0.66 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 1afj h LYS 23 CO 0.04 0.36 0.32 0.00 -2.06 0.00 0.00 179.45 178.11 1afj h ALA 24 N 1.64 0.66 -0.12 3.86 0.00 -0.69 0.16 119.26 124.77 1afj h ALA 24 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1afj h ALA 24 Cb 0.65 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1afj h ALA 24 CO 0.05 0.05 -0.02 -0.07 0.00 0.00 0.00 179.25 179.26 1afj h LEU 25 N 0.65 0.23 -0.30 0.00 3.38 -1.20 0.73 115.31 118.80 1afj h LEU 25 Ca 0.20 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1afj h LEU 25 Cb -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1afj h LEU 25 CO -0.07 0.52 0.00 -0.24 0.09 0.00 0.00 178.44 178.73 1afj n SER 26 N -4.76 0.19 -0.03 -0.43 2.88 -1.06 -1.52 113.62 108.89 1afj n SER 26 Ca -0.06 0.56 0.05 0.00 -1.33 0.00 0.00 58.87 58.09 1afj n SER 26 Cb 0.23 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1afj n SER 26 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1afj n LYS 27 N -1.73 3.48 -0.03 -1.46 4.01 0.54 -4.63 118.16 118.35 1afj n LYS 27 Ca 0.02 -0.08 -0.13 0.00 -0.51 0.00 0.00 58.31 57.60 1afj n LYS 27 Cb 0.12 -0.99 -0.08 0.00 -0.51 0.00 0.00 35.03 33.58 1afj n LYS 27 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1afj h VAL 28 N 0.16 0.07 0.00 -0.18 2.07 0.15 -3.48 116.25 115.05 1afj h VAL 28 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1afj h VAL 28 Cb 0.25 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1afj h VAL 28 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 1afj n GLU 29 N -5.43 0.00 0.00 1.57 1.02 -1.26 -4.90 120.64 111.63 1afj n GLU 29 Ca -0.04 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 1afj n GLU 29 Cb 0.37 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.47 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1afj n GLY 30 N 0.00 -1.40 3.69 0.62 0.00 -1.26 -4.87 105.19 101.97 1afj n GLY 30 Ca 0.00 -0.12 -0.62 0.00 0.00 0.00 0.00 46.02 45.29 1afj n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1afj n VAL 31 N -1.40 0.11 0.51 1.61 0.31 -1.26 -3.09 118.33 115.12 1afj n VAL 31 Ca 0.10 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 1afj n VAL 31 Cb 0.30 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.42 1afj n VAL 31 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1afj n SER 32 N 4.05 0.76 -3.59 4.52 2.88 -0.34 -4.93 113.62 116.97 1afj n SER 32 Ca 0.27 -0.70 -0.11 0.00 -1.33 0.00 0.00 58.87 57.00 1afj n SER 32 Cb 0.05 1.07 -0.04 0.00 -0.75 0.00 0.00 64.21 64.54 1afj n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1afj s LYS 33 N -2.25 1.21 0.01 -1.46 2.20 -1.05 -4.97 119.74 113.45 1afj s LYS 33 Ca 0.04 -0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 1afj s LYS 33 Cb 0.09 0.52 0.02 0.00 -1.51 0.00 0.00 37.83 36.96 1afj s LYS 33 CO 0.51 -0.51 0.32 0.08 -0.36 0.00 0.00 175.35 175.39 1afj s VAL 34 N -3.80 0.07 -0.42 4.02 1.01 -1.26 -2.36 120.40 117.66 1afj s VAL 34 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1afj s VAL 34 Cb 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 36.38 35.81 1afj s VAL 34 CO -0.10 -0.31 0.89 -0.62 0.00 0.00 0.00 175.10 174.96 1afj s ASP 35 N -1.67 -0.91 0.00 3.32 2.15 0.15 -4.96 116.67 114.76 1afj s ASP 35 Ca -0.10 -0.91 0.00 0.00 0.43 0.00 0.00 52.55 51.98 1afj s ASP 35 Cb -0.03 1.18 0.00 0.00 -0.30 0.00 0.00 42.92 43.77 1afj s ASP 35 CO 0.01 -0.05 0.00 1.33 -0.17 0.00 0.00 175.17 176.29 1afj n VAL 36 N 3.13 0.00 -3.31 1.11 0.24 -1.26 -1.28 118.33 116.97 1afj n VAL 36 Ca 0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.33 1afj n VAL 36 Cb 0.60 -0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 32.38 1afj n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1afj s GLY 37 N -1.06 -0.51 0.00 7.63 0.00 0.14 -4.89 107.32 108.64 1afj s GLY 37 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1afj s GLY 37 CO 0.00 3.05 0.00 1.97 0.00 0.00 0.00 173.10 178.12 1afj n PHE 38 N 4.85 0.00 0.00 1.90 1.16 -1.26 -1.67 117.46 122.44 1afj n PHE 38 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 1afj n PHE 38 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 1afj n PHE 38 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1afj n GLU 39 N 0.00 0.00 0.00 3.97 -0.58 -1.26 -0.28 120.64 122.49 1afj n GLU 39 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1afj n GLU 39 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1afj n GLU 39 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1afj n LYS 40 N 0.00 0.00 0.00 3.49 3.00 -1.24 -4.21 118.16 119.20 1afj n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1afj n LYS 40 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.22 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1afj n ARG 41 N -0.38 0.00 -3.78 1.64 -4.01 0.61 -4.51 116.66 106.23 1afj n ARG 41 Ca 0.00 0.00 -0.25 0.00 -1.04 0.00 0.00 57.85 56.56 1afj n ARG 41 Cb 0.00 0.00 -0.17 0.00 -3.04 0.00 0.00 32.46 29.25 1afj n ARG 41 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1afj s GLU 42 N 0.00 0.76 -0.28 2.89 2.02 -1.10 -1.48 118.70 121.51 1afj s GLU 42 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.82 1afj s GLU 42 Cb 0.00 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.81 1afj s GLU 42 CO 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 175.26 174.91 1afj s ALA 43 N 1.89 2.96 -0.21 5.21 0.00 -0.52 0.27 121.76 131.36 1afj s ALA 43 Ca 0.03 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 1afj s ALA 43 Cb -0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1afj s ALA 43 CO -0.07 -0.85 0.03 0.08 0.00 0.00 0.00 175.76 174.96 1afj s VAL 44 N 1.46 4.23 0.08 0.00 1.01 -0.40 0.10 120.40 126.88 1afj s VAL 44 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1afj s VAL 44 Cb -0.17 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1afj s VAL 44 CO 0.00 0.40 -0.01 0.54 0.00 0.00 0.00 175.10 176.04 1afj s VAL 45 N 1.08 0.26 0.23 2.92 0.11 -0.41 0.31 120.40 124.90 1afj s VAL 45 Ca 0.03 -1.86 0.11 0.00 -2.93 0.00 0.00 61.98 57.33 1afj s VAL 45 Cb -0.14 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 32.96 1afj s VAL 45 CO 0.02 -0.83 -0.20 -0.89 -3.33 0.00 0.00 175.10 169.87 1afj s THR 46 N -3.91 2.27 0.05 5.04 2.01 -0.99 -1.36 115.64 118.75 1afj s THR 46 Ca 0.13 -2.21 -0.11 0.00 0.31 0.00 0.00 61.69 59.81 1afj s THR 46 Cb 0.07 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.46 1afj s THR 46 CO -0.06 -0.33 0.50 2.22 -0.69 0.00 0.00 174.62 176.26 1afj n PHE 47 N -0.21 -0.67 -3.93 4.92 1.16 0.03 -1.20 117.46 117.55 1afj n PHE 47 Ca -0.09 -0.47 -0.36 0.00 -1.87 0.00 0.00 57.45 54.67 1afj n PHE 47 Cb 0.58 0.23 -0.12 0.00 -1.61 0.00 0.00 39.48 38.56 1afj n PHE 47 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1afj s ASP 48 N -2.15 5.08 0.00 5.98 1.01 -1.18 -1.14 116.67 124.28 1afj s ASP 48 Ca 0.11 -0.16 0.15 0.00 0.71 0.00 0.00 52.55 53.37 1afj s ASP 48 Cb -0.01 -1.89 0.92 0.00 1.01 0.00 0.00 42.92 42.95 1afj s ASP 48 CO 0.01 0.04 1.35 -0.90 0.21 0.00 0.00 175.17 175.88 1afj n ASP 49 N 4.43 0.00 0.11 0.27 5.68 -0.99 -1.82 116.55 124.23 1afj n ASP 49 Ca -0.17 -0.71 -0.01 0.00 -0.50 0.00 0.00 54.79 53.41 1afj n ASP 49 Cb 0.52 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1afj h THR 50 N 0.00 1.23 0.00 2.12 1.35 -1.93 -3.37 112.91 112.31 1afj h THR 50 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1afj h THR 50 Cb 0.00 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1afj h THR 50 CO 0.00 0.68 -0.70 0.29 -0.25 0.00 0.00 175.52 175.54 1afj n LYS 51 N -3.33 1.82 -1.98 4.72 5.02 -1.09 -5.09 118.16 118.23 1afj n LYS 51 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1afj n LYS 51 Cb 0.79 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1afj n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afj n ALA 52 N -1.22 0.00 -3.63 7.82 0.00 -0.76 -4.52 120.51 118.20 1afj n ALA 52 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1afj n ALA 52 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1afj n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afj s SER 53 N -0.98 -0.06 0.33 0.00 0.15 -1.26 -4.06 113.70 107.82 1afj s SER 53 Ca 0.00 0.00 0.10 0.00 0.70 0.00 0.00 55.95 56.75 1afj s SER 53 Cb 0.00 0.06 0.99 0.00 -1.71 0.00 0.00 66.02 65.36 1afj s SER 53 CO 0.00 -0.10 1.62 -0.37 1.20 0.00 0.00 173.24 175.59 1afj h VAL 54 N 2.00 0.17 -0.50 4.45 -1.51 -1.98 1.11 116.25 119.99 1afj h VAL 54 Ca -0.04 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1afj h VAL 54 Cb 1.14 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1afj h VAL 54 CO 0.20 0.03 0.31 -0.61 -1.23 0.00 0.00 177.57 176.27 1afj h GLN 55 N 0.14 0.68 0.00 5.19 4.15 -1.98 -1.52 115.11 121.76 1afj h GLN 55 Ca 0.69 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 60.03 1afj h GLN 55 Cb 1.58 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 1afj h GLN 55 CO -0.73 0.49 -0.11 -0.22 -1.93 0.00 0.00 178.83 176.32 1afj h LYS 56 N 0.67 0.00 0.06 1.69 3.64 0.83 0.30 116.57 123.77 1afj h LYS 56 Ca 0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1afj h LYS 56 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1afj h LYS 56 CO -0.03 0.11 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.16 1afj h LEU 57 N 0.00 -0.07 -1.75 5.20 3.38 -0.12 0.12 115.31 122.07 1afj h LEU 57 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1afj h LEU 57 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1afj h LEU 57 CO 0.01 0.61 0.00 0.74 0.09 0.00 0.00 178.44 179.90 1afj h THR 58 N -0.86 0.00 0.00 0.22 2.02 -1.25 -0.62 112.91 112.42 1afj h THR 58 Ca -0.01 -0.29 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 1afj h THR 58 Cb 0.62 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1afj h THR 58 CO 0.01 0.00 -0.91 0.50 0.37 0.00 0.00 175.52 175.49 1afj h LYS 59 N 0.00 0.00 -0.24 6.66 1.63 -0.28 -0.68 116.57 123.66 1afj h LYS 59 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1afj h LYS 59 Cb 0.31 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1afj h LYS 59 CO 0.00 0.45 -0.40 0.00 -3.45 0.00 0.00 179.45 176.06 1afj h ALA 60 N 1.43 0.37 0.07 5.00 0.00 0.86 0.28 119.26 127.27 1afj h ALA 60 Ca -0.07 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 1afj h ALA 60 Cb 1.50 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.24 1afj h ALA 60 CO 0.06 0.47 -1.14 0.00 0.00 0.00 0.00 179.25 178.64 1afj h THR 61 N 0.41 1.32 0.00 0.00 1.03 -1.58 -1.16 112.91 112.93 1afj h THR 61 Ca 0.02 -2.45 -0.00 0.00 -0.01 0.00 0.00 66.41 63.96 1afj h THR 61 Cb 0.99 2.59 -0.00 0.00 -1.07 0.00 0.00 68.15 70.66 1afj h THR 61 CO 0.09 0.74 -0.01 0.00 -0.01 0.00 0.00 175.52 176.34 1afj h ALA 62 N 0.42 1.51 0.00 0.00 0.00 -1.06 0.28 119.26 120.42 1afj h ALA 62 Ca -0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1afj h ALA 62 Cb 1.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1afj h ALA 62 CO 0.21 0.01 -0.96 0.22 0.00 0.00 0.00 179.25 178.73 1afj h ASP 63 N 0.00 0.00 0.92 0.00 1.82 -0.05 -3.13 116.42 115.98 1afj h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1afj h ASP 63 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1afj h ASP 63 CO 0.00 0.59 0.00 0.00 -1.61 0.00 0.00 179.24 178.22 1afj n ALA 64 N -2.32 1.91 0.00 -0.78 0.00 0.84 -4.82 120.51 115.34 1afj n ALA 64 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1afj n ALA 64 Cb 0.81 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1afj n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1afj n GLY 65 N 0.54 1.73 2.54 0.00 0.00 -0.68 -5.08 105.19 104.24 1afj n GLY 65 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1afj n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afj s TYR 66 N -2.00 1.53 -0.70 1.61 2.02 -0.26 -4.99 117.35 114.55 1afj s TYR 66 Ca 0.00 -2.33 -0.26 0.00 -0.37 0.00 0.00 57.07 54.11 1afj s TYR 66 Cb 0.00 -1.35 -0.14 0.00 -0.40 0.00 0.00 41.96 40.07 1afj s TYR 66 CO 0.00 -0.78 2.46 -2.30 -1.57 0.00 0.00 175.55 173.36 1afj n PRO 67 N 3.12 0.64 -0.78 -1.71 -0.02 -1.26 -3.23 135.00 131.76 1afj n PRO 67 Ca 0.20 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1afj n PRO 67 Cb 0.41 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 1afj n PRO 67 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1afj n SER 68 N 14.57 0.78 -3.67 2.55 3.41 -1.26 -4.19 113.62 125.80 1afj n SER 68 Ca 0.48 -0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 1afj n SER 68 Cb 0.38 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 1afj n SER 68 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1afj s SER 69 N -0.66 -0.53 0.33 4.04 0.15 0.06 -4.94 113.70 112.15 1afj s SER 69 Ca 0.00 1.06 0.01 0.00 0.70 0.00 0.00 55.95 57.71 1afj s SER 69 Cb 0.00 1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 65.41 1afj s SER 69 CO 0.00 -0.21 0.52 0.54 1.20 0.00 0.00 173.24 175.29 1afj s VAL 70 N 1.91 5.12 -0.37 4.45 0.11 -1.26 -0.73 120.40 129.64 1afj s VAL 70 Ca -0.07 -0.51 0.12 0.00 -2.93 0.00 0.00 61.98 58.59 1afj s VAL 70 Cb -0.09 -3.86 0.41 0.00 -1.53 0.00 0.00 36.38 31.31 1afj s VAL 70 CO -0.14 -0.52 1.15 2.29 -3.33 0.00 0.00 175.10 174.55 1afj n LYS 71 N -1.69 1.15 -0.30 1.54 2.85 -0.67 -4.95 118.16 116.09 1afj n LYS 71 Ca -0.05 -2.46 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 1afj n LYS 71 Cb 0.56 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 34.26 1afj n LYS 71 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39