#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 -0.01 0.15 0.00 -4.23 -1.25 -2.35 115.64 107.95 1afj s THR 2 Ca 0.00 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1afj s THR 2 Cb 0.00 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1afj s THR 2 CO 0.00 -0.89 0.04 -1.10 -0.54 0.00 0.00 174.62 172.12 1afj s GLN 3 N 0.82 2.57 -0.03 3.99 -1.52 -0.61 -4.84 119.66 120.04 1afj s GLN 3 Ca 0.23 -0.98 0.01 0.00 -1.95 0.00 0.00 55.36 52.68 1afj s GLN 3 Cb -0.11 -2.48 0.02 0.00 -0.22 0.00 0.00 33.01 30.22 1afj s GLN 3 CO -0.07 0.48 -0.04 0.99 -0.25 0.00 0.00 175.29 176.40 1afj s THR 4 N -1.64 0.46 0.27 -0.19 2.01 -1.26 -0.56 115.64 114.73 1afj s THR 4 Ca 0.28 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1afj s THR 4 Cb -0.10 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1afj s THR 4 CO 0.20 0.19 0.12 0.68 -0.69 0.00 0.00 174.62 175.12 1afj s VAL 5 N 0.66 0.41 0.17 3.82 -7.23 -0.23 -4.90 120.40 113.10 1afj s VAL 5 Ca -0.08 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1afj s VAL 5 Cb -0.12 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1afj s VAL 5 CO -0.00 0.00 0.09 0.42 -0.31 0.00 0.00 175.10 175.30 1afj s THR 6 N -3.74 4.23 0.14 5.32 -4.23 0.33 -1.20 115.64 116.48 1afj s THR 6 Ca 0.37 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1afj s THR 6 Cb 0.07 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1afj s THR 6 CO 0.15 -0.12 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.23 1afj s LEU 7 N -3.07 2.47 -0.21 4.79 1.02 0.43 -1.68 118.68 122.43 1afj s LEU 7 Ca 0.30 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1afj s LEU 7 Cb -0.10 -0.48 0.05 0.00 0.02 0.00 0.00 46.19 45.68 1afj s LEU 7 CO 0.22 -0.22 -0.05 0.00 0.02 0.00 0.00 176.35 176.32 1afj s ALA 8 N -2.65 1.74 -0.74 4.21 0.00 0.32 -1.37 121.76 123.26 1afj s ALA 8 Ca 0.13 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1afj s ALA 8 Cb -0.02 -1.30 0.23 0.00 0.00 0.00 0.00 23.12 22.03 1afj s ALA 8 CO 0.02 -1.02 0.74 0.28 0.00 0.00 0.00 175.76 175.79 1afj n VAL 9 N 4.77 2.52 0.53 0.00 0.31 -1.16 -0.34 118.33 124.95 1afj n VAL 9 Ca -0.12 -5.17 0.05 0.00 -0.01 0.00 0.00 64.34 59.09 1afj n VAL 9 Cb 0.46 -2.17 0.28 0.00 -0.91 0.00 0.00 33.84 31.50 1afj n VAL 9 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1afj n PRO 10 N 1.43 0.16 0.23 5.55 -0.04 -1.26 -3.08 135.00 138.00 1afj n PRO 10 Ca 0.25 0.18 0.18 0.00 -0.04 0.00 0.00 63.50 64.07 1afj n PRO 10 Cb 0.38 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.16 1afj n PRO 10 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1afj h GLY 11 N 1.82 0.00 -1.51 0.55 0.00 -1.88 -3.43 103.07 98.61 1afj h GLY 11 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1afj h GLY 11 CO 0.00 0.00 -0.27 1.03 0.00 0.00 0.00 176.54 177.30 1afj n MET 12 N -3.38 0.51 0.00 4.80 2.81 -1.18 -4.95 117.12 115.74 1afj n MET 12 Ca 0.02 -2.78 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 1afj n MET 12 Cb 0.43 2.47 0.00 0.00 -0.71 0.00 0.00 33.22 35.41 1afj n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1afj n THR 13 N -0.55 0.00 0.12 2.03 5.66 -1.26 -4.70 114.28 115.58 1afj n THR 13 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1afj n THR 13 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 -3.09 0.00 -0.03 0.00 0.00 -1.26 -3.98 120.51 112.15 1afj n ALA 15 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1afj n ALA 15 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 1.90 -0.05 0.00 0.00 -1.26 -4.38 120.51 116.72 1afj n ALA 16 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1afj n ALA 16 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 0.02 0.97 0.00 0.00 0.13 -1.85 0.18 132.00 131.44 1afj h PRO 18 Ca 0.04 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1afj h PRO 18 Cb 0.38 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1afj h PRO 18 CO 0.01 0.78 -0.20 0.82 -0.23 0.00 0.00 178.00 179.18 1afj h ILE 19 N 0.96 0.60 0.00 -3.56 2.04 -1.70 -0.96 117.51 114.89 1afj h ILE 19 Ca 0.23 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1afj h ILE 19 Cb 0.16 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1afj h ILE 19 CO -0.02 0.19 -0.00 0.74 0.00 0.00 0.00 178.15 179.06 1afj h THR 20 N 0.00 0.01 -0.04 -0.27 2.02 0.28 0.15 112.91 115.07 1afj h THR 20 Ca -0.00 -0.15 -0.18 0.00 0.77 0.00 0.00 66.41 66.85 1afj h THR 20 Cb 0.58 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1afj h THR 20 CO 0.03 0.00 -0.76 0.58 0.37 0.00 0.00 175.52 175.74 1afj h VAL 21 N 0.00 1.43 -0.47 3.16 2.07 -1.00 -2.23 116.25 119.21 1afj h VAL 21 Ca -0.00 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1afj h VAL 21 Cb 0.15 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1afj h VAL 21 CO 0.00 0.68 0.17 0.50 0.02 0.00 0.00 177.57 178.93 1afj h LYS 22 N 0.17 0.68 -0.31 1.57 3.64 -0.77 -1.83 116.57 119.73 1afj h LYS 22 Ca -0.03 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1afj h LYS 22 Cb 1.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1afj h LYS 22 CO 0.12 0.58 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.60 1afj h LYS 23 N 0.67 0.58 0.08 1.90 1.63 -1.24 -1.96 116.57 118.22 1afj h LYS 23 Ca 0.16 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1afj h LYS 23 Cb 0.17 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1afj h LYS 23 CO -0.01 0.76 -0.14 0.00 -3.45 0.00 0.00 179.45 176.60 1afj h ALA 24 N 0.80 -0.23 -0.68 5.00 0.00 -0.77 0.18 119.26 123.56 1afj h ALA 24 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1afj h ALA 24 Cb 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1afj h ALA 24 CO 0.03 -0.66 0.23 -0.07 0.00 0.00 0.00 179.25 178.78 1afj h LEU 25 N -0.28 0.97 -2.41 0.00 3.38 -1.37 1.41 115.31 117.00 1afj h LEU 25 Ca 0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1afj h LEU 25 Cb 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1afj h LEU 25 CO -0.09 0.90 -0.02 -1.28 0.09 0.00 0.00 178.44 178.05 1afj h SER 26 N 0.98 0.00 -0.01 -0.43 0.87 -1.03 -1.02 113.55 112.91 1afj h SER 26 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1afj h SER 26 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1afj h SER 26 CO -0.01 0.02 -0.12 0.29 -0.53 0.00 0.00 176.83 176.48 1afj n LYS 27 N -3.26 1.35 -0.21 2.24 4.01 0.02 -4.61 118.16 117.70 1afj n LYS 27 Ca -0.02 -1.05 -0.04 0.00 -0.51 0.00 0.00 58.31 56.69 1afj n LYS 27 Cb 0.15 -1.23 0.02 0.00 -0.51 0.00 0.00 35.03 33.47 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 2.15 0.21 0.00 -0.18 2.07 0.32 -3.47 116.25 117.35 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 0.52 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 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 -5.44 0.00 0.12 1.57 1.02 -1.26 -4.90 120.64 111.75 1afj n GLU 29 Ca 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 1afj n GLU 29 Cb 0.35 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 32.01 1afj n GLU 29 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1afj h GLY 30 N 0.00 0.00 -6.34 0.62 0.00 -1.83 -3.47 103.07 92.05 1afj h GLY 30 Ca 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 47.33 46.53 1afj h GLY 30 CO 0.00 0.00 0.50 1.55 0.00 0.00 0.00 176.54 178.59 1afj n VAL 31 N -2.47 0.00 0.27 4.60 3.14 -1.26 -2.64 118.33 119.96 1afj n VAL 31 Ca 0.04 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.46 1afj n VAL 31 Cb 0.47 -0.35 -0.05 0.00 -1.06 0.00 0.00 33.84 32.85 1afj n VAL 31 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1afj n SER 32 N 3.18 1.12 -3.94 6.55 7.64 -0.24 -4.90 113.62 123.03 1afj n SER 32 Ca 0.27 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 1afj n SER 32 Cb -0.02 1.10 -0.09 0.00 -1.01 0.00 0.00 64.21 64.18 1afj n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1afj s LYS 33 N -1.95 0.61 -0.17 1.43 2.20 -1.09 -4.95 119.74 115.82 1afj s LYS 33 Ca 0.01 -0.81 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 1afj s LYS 33 Cb 0.06 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.67 1afj s LYS 33 CO 0.32 -0.15 0.40 0.08 -0.36 0.00 0.00 175.35 175.64 1afj s VAL 34 N -2.81 -0.04 -0.40 4.02 1.01 -1.26 -2.57 120.40 118.34 1afj s VAL 34 Ca -0.03 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1afj s VAL 34 Cb 0.00 -0.60 0.17 0.00 0.00 0.00 0.00 36.38 35.95 1afj s VAL 34 CO -0.06 0.04 0.53 -1.81 0.00 0.00 0.00 175.10 173.81 1afj s ASP 35 N 1.43 -0.45 0.00 3.32 1.01 0.17 -5.00 116.67 117.15 1afj s ASP 35 Ca -0.09 -1.20 0.00 0.00 0.71 0.00 0.00 52.55 51.96 1afj s ASP 35 Cb -0.09 1.38 0.00 0.00 1.01 0.00 0.00 42.92 45.22 1afj s ASP 35 CO -0.13 -0.19 0.00 1.33 0.21 0.00 0.00 175.17 176.39 1afj n VAL 36 N 4.21 0.00 -3.49 -1.27 0.24 -1.26 -1.39 118.33 115.38 1afj n VAL 36 Ca 0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.31 1afj n VAL 36 Cb 0.52 -0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.51 -0.30 0.00 7.63 0.00 0.20 -4.89 107.32 109.46 1afj s GLY 37 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1afj s GLY 37 CO 0.00 2.42 0.00 1.97 0.00 0.00 0.00 173.10 177.49 1afj n PHE 38 N 5.36 0.00 -0.39 1.90 1.16 -1.26 -2.52 117.46 121.70 1afj n PHE 38 Ca -0.05 0.00 0.32 0.00 -1.87 0.00 0.00 57.45 55.84 1afj n PHE 38 Cb 0.50 0.00 0.51 0.00 -1.61 0.00 0.00 39.48 38.88 1afj n PHE 38 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1afj n GLU 39 N 0.00 -0.01 -1.51 3.97 2.13 -1.26 0.37 120.64 124.33 1afj n GLU 39 Ca 0.00 0.81 -0.27 0.00 0.66 0.00 0.00 57.16 58.35 1afj n GLU 39 Cb 0.00 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.95 1afj n GLU 39 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1afj n LYS 40 N -3.74 2.67 0.00 5.31 2.85 -1.19 -4.45 118.16 119.61 1afj n LYS 40 Ca 0.29 -2.38 0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1afj n LYS 40 Cb 1.21 -2.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1afj n ARG 41 N 1.15 0.00 -3.42 -1.58 -4.01 0.16 -4.52 116.66 104.44 1afj n ARG 41 Ca 0.50 0.00 -0.08 0.00 -1.04 0.00 0.00 57.85 57.24 1afj n ARG 41 Cb 0.54 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.88 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 0.36 -0.27 2.89 2.02 -1.07 -2.99 118.70 119.64 1afj s GLU 42 Ca 0.00 0.71 -0.05 0.00 0.02 0.00 0.00 54.97 55.66 1afj s GLU 42 Cb 0.00 -0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.07 1afj s GLU 42 CO 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 175.26 174.76 1afj s ALA 43 N 2.59 2.91 -0.29 5.21 0.00 -0.47 0.62 121.76 132.32 1afj s ALA 43 Ca 0.09 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1afj s ALA 43 Cb -0.14 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 1afj s ALA 43 CO -0.15 -0.82 0.08 0.08 0.00 0.00 0.00 175.76 174.95 1afj s VAL 44 N 1.44 4.09 0.17 0.00 1.01 -0.48 0.16 120.40 126.79 1afj s VAL 44 Ca 0.02 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1afj s VAL 44 Cb -0.17 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1afj s VAL 44 CO -0.01 0.14 -0.05 0.68 0.00 0.00 0.00 175.10 175.87 1afj s VAL 45 N 1.54 0.99 0.31 2.92 -7.23 -0.35 -0.66 120.40 117.93 1afj s VAL 45 Ca 0.04 -2.03 0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1afj s VAL 45 Cb -0.17 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 1afj s VAL 45 CO 0.03 -0.57 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.23 1afj s THR 46 N -3.44 2.48 0.05 5.32 2.01 -1.06 -1.07 115.64 119.92 1afj s THR 46 Ca 0.21 -2.25 -0.13 0.00 0.31 0.00 0.00 61.69 59.83 1afj s THR 46 Cb 0.04 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 70.08 1afj s THR 46 CO 0.03 -0.30 0.60 2.22 -0.69 0.00 0.00 174.62 176.48 1afj n PHE 47 N -0.74 -0.68 -3.72 4.92 1.16 0.27 -1.08 117.46 117.59 1afj n PHE 47 Ca -0.05 -0.54 -0.37 0.00 -1.87 0.00 0.00 57.45 54.61 1afj n PHE 47 Cb 0.61 0.26 -0.12 0.00 -1.61 0.00 0.00 39.48 38.62 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 -2.38 5.26 0.00 5.98 1.11 -1.08 -1.57 116.67 123.98 1afj s ASP 48 Ca 0.14 -0.47 0.12 0.00 0.18 0.00 0.00 52.55 52.52 1afj s ASP 48 Cb -0.01 -1.93 0.70 0.00 1.07 0.00 0.00 42.92 42.75 1afj s ASP 48 CO 0.02 -0.14 1.22 -0.90 1.18 0.00 0.00 175.17 176.55 1afj n ASP 49 N 4.92 0.00 0.15 0.27 5.75 -0.99 -2.13 116.55 124.52 1afj n ASP 49 Ca -0.15 -0.21 0.04 0.00 -0.01 0.00 0.00 54.79 54.46 1afj n ASP 49 Cb 0.50 -0.10 0.09 0.00 -1.03 0.00 0.00 41.12 40.57 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1afj h THR 50 N 0.00 0.79 0.00 2.12 1.35 -1.93 -3.35 112.91 111.90 1afj h THR 50 Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1afj h THR 50 Cb 0.04 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1afj h THR 50 CO 0.00 0.43 0.00 0.29 -0.25 0.00 0.00 175.52 175.99 1afj n LYS 51 N -3.25 1.19 -0.99 4.72 5.02 -1.03 -5.09 118.16 118.72 1afj n LYS 51 Ca 0.02 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1afj n LYS 51 Cb 0.68 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.24 0.00 0.00 7.82 0.00 -0.91 -4.40 120.51 122.79 1afj n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afj n ALA 52 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1afj n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1afj n SER 53 N -1.14 0.00 -0.48 0.00 3.41 -1.26 -4.10 113.62 110.05 1afj n SER 53 Ca 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 58.87 59.00 1afj n SER 53 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 1afj n SER 53 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1afj h VAL 54 N 0.02 0.18 -0.14 -3.33 -1.51 -1.98 1.03 116.25 110.52 1afj h VAL 54 Ca 0.00 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1afj h VAL 54 Cb 0.00 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.24 1afj h VAL 54 CO 0.00 0.01 0.01 -0.61 -1.23 0.00 0.00 177.57 175.75 1afj h GLN 55 N 0.08 0.24 0.00 5.19 4.15 -1.99 -2.46 115.11 120.32 1afj h GLN 55 Ca 0.79 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 60.11 1afj h GLN 55 Cb 2.71 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 30.38 1afj h GLN 55 CO -0.25 0.45 -0.12 -0.22 -1.93 0.00 0.00 178.83 176.77 1afj h LYS 56 N -0.01 0.00 0.24 1.69 1.63 0.69 0.74 116.57 121.55 1afj h LYS 56 Ca 0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1afj h LYS 56 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1afj h LYS 56 CO 0.01 0.12 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.94 1afj h LEU 57 N 0.00 -0.27 -2.38 5.20 3.38 -0.80 0.96 115.31 121.40 1afj h LEU 57 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1afj h LEU 57 Cb 0.37 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1afj h LEU 57 CO 0.02 0.23 0.00 0.74 0.09 0.00 0.00 178.44 179.52 1afj h THR 58 N -0.92 0.00 0.00 0.22 2.02 -1.34 0.44 112.91 113.34 1afj h THR 58 Ca -0.03 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 1afj h THR 58 Cb 0.50 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1afj h THR 58 CO 0.05 0.00 -0.80 0.50 0.37 0.00 0.00 175.52 175.64 1afj h LYS 59 N 0.00 0.00 -0.27 6.66 3.64 -0.63 -0.40 116.57 125.57 1afj h LYS 59 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1afj h LYS 59 Cb 0.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1afj h LYS 59 CO 0.00 0.71 -0.26 0.00 -2.27 0.00 0.00 179.45 177.63 1afj h ALA 60 N 1.26 0.39 -0.01 5.00 0.00 0.15 0.24 119.26 126.29 1afj h ALA 60 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1afj h ALA 60 Cb 1.58 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1afj h ALA 60 CO 0.09 0.39 -0.96 0.00 0.00 0.00 0.00 179.25 178.77 1afj h THR 61 N 0.38 1.35 0.00 0.00 1.03 -1.56 0.20 112.91 114.32 1afj h THR 61 Ca 0.04 -2.34 -0.00 0.00 -0.01 0.00 0.00 66.41 64.10 1afj h THR 61 Cb 0.82 2.37 -0.00 0.00 -1.07 0.00 0.00 68.15 70.27 1afj h THR 61 CO 0.07 0.71 -0.01 0.00 -0.01 0.00 0.00 175.52 176.28 1afj h ALA 62 N 0.63 1.64 0.00 0.00 0.00 -0.94 0.23 119.26 120.81 1afj h ALA 62 Ca -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1afj h ALA 62 Cb 1.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1afj h ALA 62 CO 0.18 0.01 -1.06 0.22 0.00 0.00 0.00 179.25 178.60 1afj h ASP 63 N 0.00 0.00 1.02 0.00 3.58 -0.07 -3.24 116.42 117.71 1afj h ASP 63 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1afj h ASP 63 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1afj h ASP 63 CO 0.00 0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.52 1afj h ALA 64 N 1.84 1.00 0.00 -0.78 0.00 0.15 -3.45 119.26 118.01 1afj h ALA 64 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1afj h ALA 64 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1afj h ALA 64 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1afj n GLY 65 N 0.36 1.91 2.60 0.00 0.00 -0.73 -5.07 105.19 104.25 1afj n GLY 65 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 0.57 -0.54 1.61 2.02 -0.47 -4.97 117.35 113.56 1afj s TYR 66 Ca 0.00 -0.90 -0.26 0.00 -0.37 0.00 0.00 57.07 55.54 1afj s TYR 66 Cb 0.00 -1.00 -0.08 0.00 -0.40 0.00 0.00 41.96 40.48 1afj s TYR 66 CO 0.00 -0.76 2.43 -2.30 -1.57 0.00 0.00 175.55 173.35 1afj n PRO 67 N 5.18 0.94 -0.89 -1.71 -0.01 -1.26 -3.19 135.00 134.05 1afj n PRO 67 Ca -0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 63.50 63.33 1afj n PRO 67 Cb 0.44 -3.39 0.00 0.00 -0.01 0.00 0.00 33.50 30.53 1afj n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1afj n SER 68 N 16.02 0.79 -3.61 2.55 3.41 -1.26 -3.93 113.62 127.60 1afj n SER 68 Ca 0.39 -0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 58.33 1afj n SER 68 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.71 -0.82 0.43 4.04 0.15 0.54 -4.95 113.70 112.38 1afj s SER 69 Ca 0.00 1.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 1afj s SER 69 Cb 0.00 1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 65.85 1afj s SER 69 CO 0.00 -0.19 0.67 0.54 1.20 0.00 0.00 173.24 175.46 1afj s VAL 70 N 1.91 4.58 -0.30 4.45 0.11 -1.26 -0.52 120.40 129.37 1afj s VAL 70 Ca -0.08 -0.28 0.19 0.00 -2.93 0.00 0.00 61.98 58.88 1afj s VAL 70 Cb -0.06 -3.70 0.47 0.00 -1.53 0.00 0.00 36.38 31.56 1afj s VAL 70 CO -0.18 -0.55 1.20 2.29 -3.33 0.00 0.00 175.10 174.53 1afj n LYS 71 N -2.06 1.52 0.00 1.54 2.85 -0.67 -4.93 118.16 116.41 1afj n LYS 71 Ca -0.01 -2.84 0.00 0.00 -1.05 0.00 0.00 58.31 54.42 1afj n LYS 71 Cb 0.57 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 1afj n LYS 71 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39