#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 -0.08 0.12 0.00 -4.23 -1.25 -2.25 115.64 107.95 1afj s THR 2 Ca 0.00 -1.60 0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1afj s THR 2 Cb 0.00 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 1afj s THR 2 CO 0.00 -0.82 -0.26 0.00 -0.54 0.00 0.00 174.62 172.99 1afj s GLN 3 N 0.95 1.42 -0.03 3.99 -2.07 -0.00 -4.82 119.66 119.10 1afj s GLN 3 Ca 0.22 -1.31 0.07 0.00 -1.82 0.00 0.00 55.36 52.52 1afj s GLN 3 Cb -0.12 -1.86 -0.02 0.00 -1.09 0.00 0.00 33.01 29.92 1afj s GLN 3 CO -0.06 0.45 -0.24 -0.08 -1.32 0.00 0.00 175.29 174.04 1afj s THR 4 N -1.04 2.20 0.29 3.63 -1.32 -1.26 -1.49 115.64 116.65 1afj s THR 4 Ca 0.13 -1.05 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1afj s THR 4 Cb -0.10 -1.78 -0.06 0.00 -1.51 0.00 0.00 72.50 69.05 1afj s THR 4 CO 0.05 0.58 0.07 0.68 -2.21 0.00 0.00 174.62 173.79 1afj s VAL 5 N -0.53 0.92 0.25 5.08 -7.23 -0.12 -4.93 120.40 113.84 1afj s VAL 5 Ca 0.07 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1afj s VAL 5 Cb -0.11 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1afj s VAL 5 CO 0.00 -0.02 0.15 0.28 -0.31 0.00 0.00 175.10 175.20 1afj s THR 6 N -3.50 4.22 0.08 5.32 -1.32 -1.26 -1.25 115.64 117.93 1afj s THR 6 Ca 0.37 -1.51 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1afj s THR 6 Cb 0.08 -3.27 -0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1afj s THR 6 CO 0.14 -0.35 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.35 1afj s LEU 7 N -3.77 2.35 -0.28 9.08 1.02 0.41 -2.22 118.68 125.27 1afj s LEU 7 Ca 0.32 -0.72 0.02 0.00 0.02 0.00 0.00 54.13 53.77 1afj s LEU 7 Cb -0.08 -0.29 0.08 0.00 0.02 0.00 0.00 46.19 45.92 1afj s LEU 7 CO 0.24 -0.23 -0.02 0.00 0.02 0.00 0.00 176.35 176.36 1afj s ALA 8 N -2.04 2.26 -0.79 4.21 0.00 -0.60 -1.38 121.76 123.42 1afj s ALA 8 Ca 0.01 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.21 1afj s ALA 8 Cb -0.05 -1.63 0.21 0.00 0.00 0.00 0.00 23.12 21.65 1afj s ALA 8 CO 0.00 -1.39 0.69 1.55 0.00 0.00 0.00 175.76 176.61 1afj n VAL 9 N 4.54 2.43 1.25 0.00 3.14 -1.26 -0.31 118.33 128.13 1afj n VAL 9 Ca -0.07 -5.07 0.07 0.00 -2.96 0.00 0.00 64.34 56.32 1afj n VAL 9 Cb 0.43 -2.24 0.43 0.00 -1.06 0.00 0.00 33.84 31.40 1afj n VAL 9 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1afj n PRO 10 N 1.87 0.63 0.04 1.45 -0.04 -1.26 -3.53 135.00 134.16 1afj n PRO 10 Ca 0.22 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.87 1afj n PRO 10 Cb 0.37 -1.36 0.69 0.00 -0.04 0.00 0.00 33.50 33.15 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 3.30 0.00 -5.64 0.55 0.00 -1.84 -3.41 103.07 96.03 1afj h GLY 11 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 1afj h GLY 11 CO 0.00 0.00 0.32 1.06 0.00 0.00 0.00 176.54 177.92 1afj s MET 12 N -5.00 0.21 -0.19 4.80 -1.94 -1.23 -4.89 119.30 111.06 1afj s MET 12 Ca -0.05 0.53 -0.04 0.00 -1.71 0.00 0.00 55.69 54.42 1afj s MET 12 Cb 0.19 0.32 0.08 0.00 2.01 0.00 0.00 34.83 37.43 1afj s MET 12 CO 0.71 -0.07 0.18 -0.08 -0.01 0.00 0.00 175.02 175.75 1afj s THR 13 N 2.33 -0.25 0.31 2.05 -1.32 -1.26 -3.01 115.64 114.50 1afj s THR 13 Ca -0.02 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1afj s THR 13 Cb -0.04 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1afj s THR 13 CO -0.17 -0.23 0.00 0.00 -2.21 0.00 0.00 174.62 172.01 1afj n ALA 15 N -3.32 1.37 0.00 0.00 0.00 -1.26 -4.51 120.51 112.80 1afj n ALA 15 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1afj n ALA 15 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 0.00 -0.10 0.00 0.00 -1.26 -4.94 120.51 114.21 1afj n ALA 16 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1afj n ALA 16 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.30 0.98 -0.15 0.00 0.13 -1.83 -1.47 132.00 129.95 1afj h PRO 18 Ca 0.07 -0.22 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1afj h PRO 18 Cb 0.53 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1afj h PRO 18 CO 0.03 0.87 -0.08 0.97 -0.23 0.00 0.00 178.00 179.55 1afj h ILE 19 N 0.90 1.15 0.00 -3.56 2.10 -1.75 -0.03 117.51 116.31 1afj h ILE 19 Ca 0.20 -0.63 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 1afj h ILE 19 Cb 0.31 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1afj h ILE 19 CO -0.00 0.20 -0.03 0.74 -1.08 0.00 0.00 178.15 177.98 1afj h THR 20 N 0.22 0.33 -0.06 2.19 2.02 0.10 0.20 112.91 117.90 1afj h THR 20 Ca 0.05 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 1afj h THR 20 Cb 0.29 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1afj h THR 20 CO 0.01 0.03 -0.69 0.58 0.37 0.00 0.00 175.52 175.82 1afj h VAL 21 N 0.00 1.40 -0.45 3.16 2.07 -0.78 -2.63 116.25 119.03 1afj h VAL 21 Ca -0.00 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 1afj h VAL 21 Cb 0.10 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1afj h VAL 21 CO 0.00 0.64 0.17 0.50 0.02 0.00 0.00 177.57 178.90 1afj h LYS 22 N 0.21 0.63 -0.45 1.57 3.64 -0.57 -1.74 116.57 119.87 1afj h LYS 22 Ca -0.02 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1afj h LYS 22 Cb 1.24 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1afj h LYS 22 CO 0.11 0.53 0.03 -0.22 -2.27 0.00 0.00 179.45 177.63 1afj h LYS 23 N 0.63 0.77 0.54 1.90 3.11 -1.18 -0.32 116.57 122.01 1afj h LYS 23 Ca 0.15 -0.23 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 1afj h LYS 23 Cb 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 1afj h LYS 23 CO -0.01 0.82 -0.48 0.00 -2.81 0.00 0.00 179.45 176.97 1afj h ALA 24 N 0.92 -1.10 0.00 5.00 0.00 -1.04 -2.07 119.26 120.97 1afj h ALA 24 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1afj h ALA 24 Cb 0.46 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1afj h ALA 24 CO 0.02 -1.15 -0.22 -0.07 0.00 0.00 0.00 179.25 177.83 1afj h LEU 25 N -1.00 0.00 -1.97 0.00 4.07 -1.46 2.09 115.31 117.03 1afj h LEU 25 Ca -0.06 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.91 1afj h LEU 25 Cb 0.86 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.60 1afj h LEU 25 CO -0.03 0.22 0.05 0.28 -1.08 0.00 0.00 178.44 177.88 1afj h SER 26 N 0.00 0.03 0.00 -0.43 0.02 -0.41 -3.02 113.55 109.74 1afj h SER 26 Ca -0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1afj h SER 26 Cb 0.40 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1afj h SER 26 CO 0.03 0.02 -0.48 2.29 -1.14 0.00 0.00 176.83 177.55 1afj n LYS 27 N -4.52 0.32 -0.21 3.45 -0.00 -0.59 -4.86 118.16 111.74 1afj n LYS 27 Ca -0.01 -1.55 0.00 0.00 -0.00 0.00 0.00 58.31 56.74 1afj n LYS 27 Cb 0.14 -0.67 0.11 0.00 -0.00 0.00 0.00 35.03 34.61 1afj n LYS 27 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1afj h VAL 28 N 5.39 0.80 0.00 0.58 3.04 0.35 -3.47 116.25 122.94 1afj h VAL 28 Ca -0.03 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1afj h VAL 28 Cb 1.38 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1afj h VAL 28 CO 0.01 0.08 0.00 -0.62 -1.01 0.00 0.00 177.57 176.04 1afj n GLU 29 N -4.96 0.00 -0.05 4.17 1.02 -1.26 -4.94 120.64 114.62 1afj n GLU 29 Ca 0.09 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1afj n GLU 29 Cb 0.27 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.93 3.56 0.62 0.00 -1.26 -4.97 105.19 104.06 1afj n GLY 30 Ca 0.00 -0.63 -0.58 0.00 0.00 0.00 0.00 46.02 44.81 1afj n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1afj n VAL 31 N 1.07 0.01 0.55 1.61 3.14 -1.26 -3.29 118.33 120.16 1afj n VAL 31 Ca 0.16 -0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.60 1afj n VAL 31 Cb 0.53 -0.34 -0.06 0.00 -1.06 0.00 0.00 33.84 32.92 1afj n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1afj n SER 32 N 2.21 0.68 -3.58 6.55 2.88 -0.35 -4.91 113.62 117.10 1afj n SER 32 Ca 0.21 -0.84 -0.07 0.00 -1.33 0.00 0.00 58.87 56.84 1afj n SER 32 Cb 0.10 0.92 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 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 -2.02 0.96 0.14 -1.46 2.47 -1.01 -4.94 119.74 113.88 1afj s LYS 33 Ca 0.05 -0.42 -0.13 0.00 -1.56 0.00 0.00 55.97 53.92 1afj s LYS 33 Cb 0.09 0.40 0.01 0.00 -1.46 0.00 0.00 37.83 36.87 1afj s LYS 33 CO 0.45 -0.43 0.34 0.08 0.16 0.00 0.00 175.35 175.96 1afj s VAL 34 N -3.20 0.08 -0.38 4.02 1.01 -1.26 -1.65 120.40 119.02 1afj s VAL 34 Ca 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1afj s VAL 34 Cb -0.01 -1.47 0.20 0.00 0.00 0.00 0.00 36.38 35.10 1afj s VAL 34 CO -0.06 -0.36 0.95 -0.62 0.00 0.00 0.00 175.10 175.01 1afj s ASP 35 N -2.88 -0.69 0.52 3.32 2.15 0.30 -4.92 116.67 114.47 1afj s ASP 35 Ca 0.08 -0.58 0.07 0.00 0.43 0.00 0.00 52.55 52.55 1afj s ASP 35 Cb 0.02 0.90 0.03 0.00 -0.30 0.00 0.00 42.92 43.58 1afj s ASP 35 CO -0.07 -0.05 0.48 -0.69 -0.17 0.00 0.00 175.17 174.67 1afj s VAL 36 N 1.44 2.02 -0.12 1.11 1.01 -1.26 -0.86 120.40 123.75 1afj s VAL 36 Ca 0.20 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1afj s VAL 36 Cb 0.05 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1afj s VAL 36 CO -0.11 0.00 -0.04 -0.83 0.00 0.00 0.00 175.10 174.13 1afj s GLY 37 N -4.32 0.73 -1.38 4.51 0.00 0.87 -4.92 107.32 102.81 1afj s GLY 37 Ca 0.44 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.60 1afj s GLY 37 CO 0.27 0.99 2.33 1.97 0.00 0.00 0.00 173.10 178.66 1afj n PHE 38 N 5.01 2.74 0.00 1.90 1.16 -1.26 -3.01 117.46 124.00 1afj n PHE 38 Ca -0.10 -2.88 0.00 0.00 -1.87 0.00 0.00 57.45 52.60 1afj n PHE 38 Cb 0.49 -2.05 0.00 0.00 -1.61 0.00 0.00 39.48 36.31 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 3.07 0.00 0.00 3.97 2.13 -1.26 -4.21 120.64 124.34 1afj n GLU 39 Ca 0.58 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.50 1afj n GLU 39 Cb 0.29 0.00 0.57 0.00 0.27 0.00 0.00 31.44 32.57 1afj n GLU 39 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1afj n LYS 40 N 0.00 0.48 -2.96 5.31 5.02 -1.26 -4.62 118.16 120.14 1afj n LYS 40 Ca 0.00 0.05 -0.05 0.00 -2.02 0.00 0.00 58.31 56.28 1afj n LYS 40 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1afj n LYS 40 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1afj n ARG 41 N -1.13 -1.92 -3.65 1.97 0.00 -1.16 -4.99 116.66 105.77 1afj n ARG 41 Ca 0.13 1.84 -0.05 0.00 -0.00 0.00 0.00 57.85 59.77 1afj n ARG 41 Cb 0.11 -5.63 -0.07 0.00 0.00 0.00 0.00 32.46 26.87 1afj n ARG 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1afj s GLU 42 N -2.80 0.50 -0.28 -0.14 -1.05 -1.18 -3.97 118.70 109.78 1afj s GLU 42 Ca 0.14 1.24 -0.06 0.00 -0.15 0.00 0.00 54.97 56.14 1afj s GLU 42 Cb -0.04 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1afj s GLU 42 CO 0.76 -0.20 0.06 0.00 0.95 0.00 0.00 175.26 176.83 1afj s ALA 43 N 2.50 3.01 -0.24 -0.84 0.00 -0.48 -0.09 121.76 125.62 1afj s ALA 43 Ca -0.06 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 1afj s ALA 43 Cb -0.11 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1afj s ALA 43 CO -0.17 -0.85 0.02 0.08 0.00 0.00 0.00 175.76 174.84 1afj s VAL 44 N 1.49 3.82 0.08 0.00 1.01 -0.04 0.16 120.40 126.91 1afj s VAL 44 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1afj s VAL 44 Cb -0.17 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1afj s VAL 44 CO 0.01 0.35 -0.07 -0.69 0.00 0.00 0.00 175.10 174.70 1afj s VAL 45 N 1.54 0.67 0.17 2.92 1.01 -0.38 0.11 120.40 126.44 1afj s VAL 45 Ca 0.06 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.44 1afj s VAL 45 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1afj s VAL 45 CO 0.00 -0.71 -0.05 -0.89 0.00 0.00 0.00 175.10 173.45 1afj s THR 46 N -2.91 3.45 0.12 3.92 2.01 -0.66 -0.94 115.64 120.63 1afj s THR 46 Ca 0.05 -1.53 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 1afj s THR 46 Cb 0.00 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.88 1afj s THR 46 CO -0.03 -0.10 1.12 0.72 -0.69 0.00 0.00 174.62 175.64 1afj s PHE 47 N -1.70 0.04 -0.22 4.92 -0.12 -0.55 -1.21 117.98 119.14 1afj s PHE 47 Ca 0.26 -0.34 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1afj s PHE 47 Cb -0.09 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1afj s PHE 47 CO 0.17 -0.70 0.05 -0.51 -0.05 0.00 0.00 175.22 174.17 1afj s ASP 48 N -3.45 5.14 0.00 1.98 1.11 -1.21 -0.82 116.67 119.42 1afj s ASP 48 Ca 0.23 -0.14 0.15 0.00 0.18 0.00 0.00 52.55 52.96 1afj s ASP 48 Cb -0.01 -1.90 0.85 0.00 1.07 0.00 0.00 42.92 42.93 1afj s ASP 48 CO 0.03 0.04 1.30 -0.90 1.18 0.00 0.00 175.17 176.83 1afj n ASP 49 N 4.40 0.00 0.08 0.27 5.75 -0.95 -2.10 116.55 123.99 1afj n ASP 49 Ca -0.17 -0.39 -0.07 0.00 -0.01 0.00 0.00 54.79 54.16 1afj n ASP 49 Cb 0.52 -0.04 0.07 0.00 -1.03 0.00 0.00 41.12 40.64 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 1.41 0.00 2.12 1.35 -1.93 -3.35 112.91 112.50 1afj h THR 50 Ca 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1afj h THR 50 Cb 0.02 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1afj h THR 50 CO 0.00 0.64 -0.35 1.17 -0.25 0.00 0.00 175.52 176.73 1afj n LYS 51 N -3.82 4.26 -1.81 4.72 4.81 -1.13 -5.08 118.16 120.12 1afj n LYS 51 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1afj n LYS 51 Cb 0.68 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1afj n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afj n ALA 52 N -1.11 0.00 0.00 3.14 0.00 -0.89 -4.38 120.51 117.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.70 0.00 -0.32 0.00 3.41 -1.26 -4.00 113.62 108.75 1afj n SER 53 Ca 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 58.90 1afj n SER 53 Cb 0.00 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.08 -0.09 -3.33 -1.51 -1.97 1.02 116.25 110.48 1afj h VAL 54 Ca 0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1afj h VAL 54 Cb 0.00 -0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.14 1afj h VAL 54 CO 0.00 0.02 0.05 -0.61 -1.23 0.00 0.00 177.57 175.80 1afj h GLN 55 N 0.09 0.12 0.00 5.19 5.75 -1.99 -1.94 115.11 122.33 1afj h GLN 55 Ca 0.80 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 59.27 1afj h GLN 55 Cb 2.03 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.55 1afj h GLN 55 CO -0.74 0.13 -0.08 -0.22 -2.65 0.00 0.00 178.83 175.27 1afj h LYS 56 N 0.08 0.00 0.12 1.69 3.64 0.65 0.78 116.57 123.54 1afj h LYS 56 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1afj h LYS 56 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1afj h LYS 56 CO -0.01 0.08 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.13 1afj h LEU 57 N 0.00 -0.14 -1.92 5.20 3.38 -0.39 0.22 115.31 121.65 1afj h LEU 57 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1afj h LEU 57 Cb 0.21 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1afj h LEU 57 CO 0.01 0.40 0.00 0.74 0.09 0.00 0.00 178.44 179.68 1afj h THR 58 N -0.75 0.00 0.00 0.22 2.02 -1.17 -0.30 112.91 112.93 1afj h THR 58 Ca -0.02 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 1afj h THR 58 Cb 0.54 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1afj h THR 58 CO 0.03 0.00 -0.65 0.11 0.37 0.00 0.00 175.52 175.38 1afj h LYS 59 N 0.00 0.00 -0.19 6.66 1.79 -0.59 -0.89 116.57 123.34 1afj h LYS 59 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 1afj h LYS 59 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1afj h LYS 59 CO 0.00 0.40 -0.50 0.00 -1.08 0.00 0.00 179.45 178.27 1afj h ALA 60 N 1.54 0.32 -0.01 3.86 0.00 0.86 0.14 119.26 125.98 1afj h ALA 60 Ca -0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 1afj h ALA 60 Cb 1.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1afj h ALA 60 CO 0.05 0.50 -1.00 0.00 0.00 0.00 0.00 179.25 178.81 1afj h THR 61 N 0.38 1.31 -0.05 0.00 1.03 -1.57 0.84 112.91 114.86 1afj h THR 61 Ca -0.01 -2.28 0.01 0.00 -0.01 0.00 0.00 66.41 64.12 1afj h THR 61 Cb 1.12 2.36 -0.00 0.00 -1.07 0.00 0.00 68.15 70.56 1afj h THR 61 CO 0.11 0.70 0.04 0.00 -0.01 0.00 0.00 175.52 176.36 1afj h ALA 62 N 0.52 2.00 0.00 0.00 0.00 -1.05 0.22 119.26 120.95 1afj h ALA 62 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1afj h ALA 62 Cb 1.64 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1afj h ALA 62 CO 0.19 -0.01 -0.69 0.22 0.00 0.00 0.00 179.25 178.96 1afj h ASP 63 N 0.04 0.00 1.07 0.00 3.58 -0.39 -3.17 116.42 117.54 1afj h ASP 63 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1afj h ASP 63 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1afj h ASP 63 CO -0.00 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 1afj h ALA 64 N 1.93 1.00 0.00 -0.78 0.00 0.19 -3.45 119.26 118.15 1afj h ALA 64 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1afj h ALA 64 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 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 0.12 1.91 2.57 0.00 0.00 -0.77 -5.07 105.19 103.96 1afj n GLY 65 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 0.61 -0.68 1.61 2.02 -0.56 -4.85 117.35 113.51 1afj s TYR 66 Ca 0.00 -1.09 -0.25 0.00 -0.37 0.00 0.00 57.07 55.36 1afj s TYR 66 Cb 0.00 -1.06 -0.13 0.00 -0.40 0.00 0.00 41.96 40.37 1afj s TYR 66 CO 0.00 -0.84 2.43 -2.30 -1.57 0.00 0.00 175.55 173.27 1afj n PRO 67 N 5.10 0.71 -0.38 -1.71 -0.02 -1.26 -2.99 135.00 134.45 1afj n PRO 67 Ca -0.04 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1afj n PRO 67 Cb 0.42 -3.19 0.00 0.00 -0.02 0.00 0.00 33.50 30.70 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 15.75 0.95 -1.60 2.55 3.41 -1.26 -3.83 113.62 129.58 1afj n SER 68 Ca 0.45 -0.25 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 1afj n SER 68 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1afj n SER 68 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1afj n SER 69 N -0.52 -0.65 -4.13 4.04 3.41 0.57 -4.92 113.62 111.42 1afj n SER 69 Ca 0.00 -1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 56.94 1afj n SER 69 Cb 0.00 1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.95 1afj n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1afj s VAL 70 N -2.66 0.64 -0.42 -3.33 0.11 -1.26 -1.55 120.40 111.93 1afj s VAL 70 Ca 0.07 -1.61 0.08 0.00 -2.93 0.00 0.00 61.98 57.59 1afj s VAL 70 Cb -0.01 -1.28 0.36 0.00 -1.53 0.00 0.00 36.38 33.92 1afj s VAL 70 CO 0.05 -0.68 1.23 2.29 -3.33 0.00 0.00 175.10 174.66 1afj n LYS 71 N 0.53 1.12 0.00 1.54 2.85 -0.94 -4.93 118.16 118.33 1afj n LYS 71 Ca -0.16 -1.94 0.00 0.00 -1.05 0.00 0.00 58.31 55.15 1afj n LYS 71 Cb 0.58 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 1afj n LYS 71 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39