#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 -0.69 0.24 0.00 -1.32 -1.25 -2.26 115.64 110.36 1afj s THR 2 Ca 0.00 -0.35 0.08 0.00 -1.21 0.00 0.00 61.69 60.20 1afj s THR 2 Cb 0.00 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1afj s THR 2 CO 0.00 -0.26 0.10 -1.10 -2.21 0.00 0.00 174.62 171.15 1afj s GLN 3 N 2.20 2.66 -0.03 7.08 -0.21 -0.41 -4.84 119.66 126.11 1afj s GLN 3 Ca 0.13 -1.17 -0.00 0.00 0.02 0.00 0.00 55.36 54.34 1afj s GLN 3 Cb -0.11 -2.41 0.03 0.00 1.00 0.00 0.00 33.01 31.51 1afj s GLN 3 CO -0.19 0.40 0.03 0.99 -2.12 0.00 0.00 175.29 174.40 1afj s THR 4 N -2.12 0.00 0.27 -0.19 2.01 -1.26 -0.98 115.64 113.37 1afj s THR 4 Ca 0.32 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1afj s THR 4 Cb -0.08 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1afj s THR 4 CO 0.22 0.13 0.08 0.68 -0.69 0.00 0.00 174.62 175.05 1afj s VAL 5 N 1.30 0.68 0.26 3.82 -7.23 -0.79 -4.90 120.40 113.54 1afj s VAL 5 Ca -0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1afj s VAL 5 Cb -0.13 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1afj s VAL 5 CO -0.03 -0.02 0.14 0.28 -0.31 0.00 0.00 175.10 175.16 1afj s THR 6 N -3.67 4.07 0.03 5.32 -1.32 -1.24 -1.47 115.64 117.36 1afj s THR 6 Ca 0.37 -1.57 0.03 0.00 -1.21 0.00 0.00 61.69 59.31 1afj s THR 6 Cb 0.08 -3.21 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 1afj s THR 6 CO 0.14 -0.35 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.34 1afj s LEU 7 N -3.80 2.16 -0.36 9.08 1.02 0.33 -1.88 118.68 125.23 1afj s LEU 7 Ca 0.33 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.10 1afj s LEU 7 Cb -0.07 -0.37 0.10 0.00 0.02 0.00 0.00 46.19 45.87 1afj s LEU 7 CO 0.23 -0.04 0.10 0.00 0.02 0.00 0.00 176.35 176.66 1afj s ALA 8 N -0.84 2.98 -0.92 4.21 0.00 -0.73 -1.19 121.76 125.27 1afj s ALA 8 Ca -0.02 -2.50 -0.02 0.00 0.00 0.00 0.00 51.96 49.41 1afj s ALA 8 Cb -0.07 -2.11 0.23 0.00 0.00 0.00 0.00 23.12 21.16 1afj s ALA 8 CO 0.01 -1.71 0.82 0.54 0.00 0.00 0.00 175.76 175.42 1afj s VAL 9 N 1.00 4.52 -1.62 0.00 0.11 -1.22 -0.35 120.40 122.83 1afj s VAL 9 Ca 0.09 -3.86 0.12 0.00 -2.93 0.00 0.00 61.98 55.40 1afj s VAL 9 Cb -0.20 -3.79 0.25 0.00 -1.53 0.00 0.00 36.38 31.11 1afj s VAL 9 CO -0.06 -1.10 1.23 -0.81 -3.33 0.00 0.00 175.10 171.02 1afj n PRO 10 N 2.32 0.24 -0.56 1.54 -0.04 -1.26 -3.55 135.00 133.68 1afj n PRO 10 Ca 0.22 0.12 0.45 0.00 -0.04 0.00 0.00 63.50 64.25 1afj n PRO 10 Cb 0.37 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.09 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 1.89 0.48 0.00 0.55 0.00 -1.84 -3.42 103.07 100.73 1afj h GLY 11 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1afj h GLY 11 CO 0.00 -0.15 0.00 1.03 0.00 0.00 0.00 176.54 177.42 1afj n MET 12 N -4.24 0.00 0.00 4.80 2.81 -1.23 -4.87 117.12 114.38 1afj n MET 12 Ca 0.39 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1afj n MET 12 Cb 1.71 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 34.22 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 0.00 0.00 -3.87 2.03 5.66 -1.26 -4.75 114.28 112.09 1afj n THR 13 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1afj n THR 13 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 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 -1.00 4.57 0.00 0.00 0.00 -1.26 -2.20 120.51 120.62 1afj n ALA 15 Ca -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1afj n ALA 15 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 7.31 0.00 -0.00 0.00 0.00 -1.26 -5.01 120.51 121.54 1afj n ALA 16 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.73 1afj n ALA 16 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.34 0.65 0.00 0.00 0.13 -1.83 -1.53 132.00 129.08 1afj h PRO 18 Ca -0.32 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1afj h PRO 18 Cb 1.74 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.76 1afj h PRO 18 CO 0.03 0.61 -0.12 0.82 -0.23 0.00 0.00 178.00 179.12 1afj h ILE 19 N 0.55 0.61 0.00 -3.56 2.04 -1.79 -0.52 117.51 114.85 1afj h ILE 19 Ca 0.14 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1afj h ILE 19 Cb 0.22 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1afj h ILE 19 CO -0.01 0.11 -0.08 0.74 0.00 0.00 0.00 178.15 178.92 1afj h THR 20 N 0.00 0.42 -0.09 -0.27 2.02 -1.22 0.65 112.91 114.43 1afj h THR 20 Ca -0.00 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1afj h THR 20 Cb 0.31 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1afj h THR 20 CO 0.02 0.08 -0.54 0.58 0.37 0.00 0.00 175.52 176.02 1afj h VAL 21 N 0.00 1.36 -0.67 3.16 2.07 -0.99 -1.46 116.25 119.72 1afj h VAL 21 Ca -0.00 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 1afj h VAL 21 Cb 0.27 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1afj h VAL 21 CO 0.01 0.54 0.23 0.50 0.02 0.00 0.00 177.57 178.87 1afj h LYS 22 N 0.19 1.01 -0.10 1.57 3.64 -0.91 -0.85 116.57 121.11 1afj h LYS 22 Ca 0.00 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1afj h LYS 22 Cb 1.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1afj h LYS 22 CO 0.08 0.85 -0.37 0.87 -2.27 0.00 0.00 179.45 178.61 1afj h LYS 23 N 0.98 0.21 0.14 1.90 6.56 -1.18 -1.02 116.57 124.16 1afj h LYS 23 Ca 0.22 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1afj h LYS 23 Cb 0.25 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1afj h LYS 23 CO -0.01 0.57 -0.07 0.00 -2.06 0.00 0.00 179.45 177.88 1afj h ALA 24 N 1.43 -0.18 0.00 3.86 0.00 -0.13 -1.71 119.26 122.52 1afj h ALA 24 Ca 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1afj h ALA 24 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1afj h ALA 24 CO 0.06 -0.53 -0.40 -0.07 0.00 0.00 0.00 179.25 178.30 1afj h LEU 25 N -0.33 0.00 -1.61 0.00 4.07 -1.27 1.09 115.31 117.27 1afj h LEU 25 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1afj h LEU 25 Cb 0.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1afj h LEU 25 CO 0.03 0.40 -0.19 0.28 -1.08 0.00 0.00 178.44 177.89 1afj h SER 26 N 0.00 0.00 0.00 -0.43 0.02 -0.85 -3.00 113.55 109.28 1afj h SER 26 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1afj h SER 26 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1afj h SER 26 CO 0.05 0.19 -0.14 2.29 -1.14 0.00 0.00 176.83 178.07 1afj n LYS 27 N -3.64 1.06 -0.07 3.45 -0.00 -0.67 -4.81 118.16 113.47 1afj n LYS 27 Ca -0.01 -1.74 -0.09 0.00 -0.00 0.00 0.00 58.31 56.46 1afj n LYS 27 Cb 0.31 -1.03 -0.02 0.00 -0.00 0.00 0.00 35.03 34.29 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 2.31 1.09 0.00 0.58 3.04 0.14 -3.48 116.25 119.92 1afj h VAL 28 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1afj h VAL 28 Cb 1.03 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1afj h VAL 28 CO 0.00 0.09 0.00 -0.62 -1.01 0.00 0.00 177.57 176.03 1afj n GLU 29 N -4.88 0.00 -0.31 4.17 1.02 -1.26 -4.95 120.64 114.43 1afj n GLU 29 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1afj n GLU 29 Cb 0.04 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.75 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 2.26 3.50 0.62 0.00 -1.24 -4.93 105.19 105.40 1afj n GLY 30 Ca 0.00 -0.77 -0.58 0.00 0.00 0.00 0.00 46.02 44.67 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 1.57 0.10 0.15 1.61 3.14 -1.26 -2.80 118.33 120.84 1afj n VAL 31 Ca 0.23 -0.03 0.05 0.00 -2.96 0.00 0.00 64.34 61.63 1afj n VAL 31 Cb 0.61 -0.03 -0.08 0.00 -1.06 0.00 0.00 33.84 33.29 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 1.55 1.90 -3.45 6.55 2.88 -0.53 -4.86 113.62 117.66 1afj n SER 32 Ca 0.20 -0.23 -0.12 0.00 -1.33 0.00 0.00 58.87 57.39 1afj n SER 32 Cb 0.09 1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 64.87 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 -2.51 1.17 -0.02 -1.46 2.20 -1.07 -4.95 119.74 113.10 1afj s LYS 33 Ca -0.02 -0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 1afj s LYS 33 Cb 0.07 0.54 0.06 0.00 -1.51 0.00 0.00 37.83 36.99 1afj s LYS 33 CO 0.44 -0.49 0.59 0.54 -0.36 0.00 0.00 175.35 176.07 1afj s VAL 34 N -3.34 0.01 -0.30 4.02 0.11 -1.26 -1.54 120.40 118.11 1afj s VAL 34 Ca 0.00 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1afj s VAL 34 Cb -0.01 -0.94 0.19 0.00 -1.53 0.00 0.00 36.38 34.10 1afj s VAL 34 CO -0.10 -0.06 0.88 1.51 -3.33 0.00 0.00 175.10 173.99 1afj s ASP 35 N -1.43 -0.86 0.00 3.54 -4.77 0.25 -4.98 116.67 108.43 1afj s ASP 35 Ca -0.10 0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.19 1afj s ASP 35 Cb -0.01 1.49 0.00 0.00 -1.09 0.00 0.00 42.92 43.31 1afj s ASP 35 CO 0.06 -0.15 0.00 1.33 0.70 0.00 0.00 175.17 177.11 1afj n VAL 36 N 5.06 0.00 -3.68 2.11 0.24 -1.26 -1.41 118.33 119.40 1afj n VAL 36 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 1afj n VAL 36 Cb 0.57 -0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 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 -0.39 -0.14 0.00 7.63 0.00 0.39 -4.88 107.32 109.92 1afj s GLY 37 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1afj s GLY 37 CO 0.00 1.79 0.00 1.97 0.00 0.00 0.00 173.10 176.86 1afj n PHE 38 N 5.02 0.00 -0.07 1.90 -1.74 -1.26 -2.53 117.46 118.78 1afj n PHE 38 Ca -0.12 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.84 1afj n PHE 38 Cb 0.51 0.00 0.11 0.00 1.52 0.00 0.00 39.48 41.62 1afj n PHE 38 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1afj n GLU 39 N 0.00 -0.01 -0.21 3.97 2.13 -0.93 0.12 120.64 125.70 1afj n GLU 39 Ca 0.00 0.23 -0.02 0.00 0.66 0.00 0.00 57.16 58.04 1afj n GLU 39 Cb 0.00 -0.44 0.01 0.00 0.27 0.00 0.00 31.44 31.28 1afj n GLU 39 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1afj n LYS 40 N -3.19 1.09 -0.23 5.31 4.81 -1.25 -4.23 118.16 120.47 1afj n LYS 40 Ca 0.07 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1afj n LYS 40 Cb 0.25 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1afj n ARG 41 N 0.68 0.00 -3.24 1.64 1.85 0.32 -4.79 116.66 113.11 1afj n ARG 41 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.87 1afj n ARG 41 Cb 0.55 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.93 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1afj s GLU 42 N 0.00 0.48 -0.23 2.89 -6.30 -1.05 -3.44 118.70 111.04 1afj s GLU 42 Ca 0.00 0.82 -0.03 0.00 -2.50 0.00 0.00 54.97 53.27 1afj s GLU 42 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 34.13 34.28 1afj s GLU 42 CO 0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 175.26 174.60 1afj s ALA 43 N 2.73 2.73 -0.23 6.30 0.00 -0.33 0.15 121.76 133.11 1afj s ALA 43 Ca 0.17 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1afj s ALA 43 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1afj s ALA 43 CO -0.19 -0.64 0.02 0.08 0.00 0.00 0.00 175.76 175.03 1afj s VAL 44 N 1.39 3.94 0.03 0.00 1.01 -0.50 0.12 120.40 126.40 1afj s VAL 44 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1afj s VAL 44 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1afj s VAL 44 CO -0.04 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 1afj s VAL 45 N 1.41 0.15 0.30 2.92 1.01 -0.54 -0.58 120.40 125.07 1afj s VAL 45 Ca 0.05 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 61.01 1afj s VAL 45 Cb -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1afj s VAL 45 CO 0.01 -0.60 0.09 -0.89 0.00 0.00 0.00 175.10 173.71 1afj s THR 46 N -1.99 3.37 0.06 3.92 2.01 -0.59 -1.88 115.64 120.54 1afj s THR 46 Ca -0.11 -1.75 -0.17 0.00 0.31 0.00 0.00 61.69 59.97 1afj s THR 46 Cb -0.06 -2.97 0.06 0.00 0.01 0.00 0.00 72.50 69.54 1afj s THR 46 CO -0.03 -0.28 0.81 2.22 -0.69 0.00 0.00 174.62 176.65 1afj n PHE 47 N -1.05 -0.72 -3.87 4.92 1.16 -0.15 -1.46 117.46 116.30 1afj n PHE 47 Ca -0.05 -0.70 -0.36 0.00 -1.87 0.00 0.00 57.45 54.47 1afj n PHE 47 Cb 0.60 0.33 -0.12 0.00 -1.61 0.00 0.00 39.48 38.68 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 -2.85 5.09 0.00 5.98 1.01 -1.12 -1.29 116.67 123.49 1afj s ASP 48 Ca 0.19 -0.18 0.09 0.00 0.71 0.00 0.00 52.55 53.35 1afj s ASP 48 Cb -0.01 -1.90 0.45 0.00 1.01 0.00 0.00 42.92 42.47 1afj s ASP 48 CO 0.02 0.01 1.11 -0.90 0.21 0.00 0.00 175.17 175.62 1afj n ASP 49 N 4.61 0.00 0.14 0.27 5.75 -0.96 -1.26 116.55 125.10 1afj n ASP 49 Ca -0.16 0.07 0.02 0.00 -0.01 0.00 0.00 54.79 54.70 1afj n ASP 49 Cb 0.52 -0.22 0.14 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.08 0.00 2.12 1.35 -1.93 -3.34 112.91 112.19 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 0.06 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1afj h THR 50 CO 0.00 0.54 0.00 0.29 -0.25 0.00 0.00 175.52 176.10 1afj n LYS 51 N -3.43 3.02 -1.38 4.72 4.76 -0.84 -5.07 118.16 119.94 1afj n LYS 51 Ca 0.00 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1afj n LYS 51 Cb 0.67 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 1afj n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afj n ALA 52 N -0.47 0.00 -3.64 7.82 0.00 -0.39 -3.60 120.51 120.24 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 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.63 -0.06 0.37 0.00 0.15 -1.26 -4.11 113.70 108.15 1afj s SER 53 Ca 0.00 0.05 0.20 0.00 0.70 0.00 0.00 55.95 56.90 1afj s SER 53 Cb 0.00 0.05 1.28 0.00 -1.71 0.00 0.00 66.02 65.64 1afj s SER 53 CO 0.00 -0.06 1.61 1.62 1.20 0.00 0.00 173.24 177.61 1afj h VAL 54 N 2.07 0.11 -0.28 4.45 3.04 -1.98 1.50 116.25 125.16 1afj h VAL 54 Ca -0.08 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.54 1afj h VAL 54 Cb 1.17 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1afj h VAL 54 CO 0.22 0.02 0.03 -0.61 -1.01 0.00 0.00 177.57 176.22 1afj h GLN 55 N 0.11 0.48 0.00 4.17 4.15 -1.99 -2.25 115.11 119.78 1afj h GLN 55 Ca 0.81 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 60.09 1afj h GLN 55 Cb 2.12 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.76 1afj h GLN 55 CO -0.67 0.61 -0.01 0.87 -1.93 0.00 0.00 178.83 177.69 1afj h LYS 56 N 0.28 0.00 0.06 1.69 1.57 0.17 0.11 116.57 120.45 1afj h LYS 56 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1afj h LYS 56 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1afj h LYS 56 CO 0.01 0.01 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.80 1afj h LEU 57 N 0.00 -0.06 -2.12 2.94 3.38 -0.53 -1.19 115.31 117.73 1afj h LEU 57 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1afj h LEU 57 Cb 0.04 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1afj h LEU 57 CO 0.00 0.60 0.00 0.74 0.09 0.00 0.00 178.44 179.88 1afj h THR 58 N -0.80 0.00 0.00 0.22 2.02 -1.10 0.20 112.91 113.45 1afj h THR 58 Ca -0.01 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1afj h THR 58 Cb 0.64 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1afj h THR 58 CO 0.01 0.00 -0.84 0.50 0.37 0.00 0.00 175.52 175.56 1afj h LYS 59 N 0.00 0.00 -0.26 6.66 1.63 -0.60 -0.63 116.57 123.37 1afj h LYS 59 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1afj h LYS 59 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1afj h LYS 59 CO 0.00 0.61 -0.46 0.00 -3.45 0.00 0.00 179.45 176.15 1afj h ALA 60 N 1.32 0.40 0.01 5.00 0.00 0.31 0.29 119.26 126.59 1afj h ALA 60 Ca -0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 1afj h ALA 60 Cb 1.56 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.30 1afj h ALA 60 CO 0.08 0.55 -1.05 0.00 0.00 0.00 0.00 179.25 178.83 1afj h THR 61 N 0.51 1.29 0.00 0.00 1.03 -1.56 0.19 112.91 114.37 1afj h THR 61 Ca 0.02 -2.28 -0.00 0.00 -0.01 0.00 0.00 66.41 64.13 1afj h THR 61 Cb 1.06 2.40 -0.00 0.00 -1.07 0.00 0.00 68.15 70.54 1afj h THR 61 CO 0.10 0.70 -0.02 0.00 -0.01 0.00 0.00 175.52 176.29 1afj h ALA 62 N 0.43 1.60 0.00 0.00 0.00 -1.04 0.18 119.26 120.43 1afj h ALA 62 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1afj h ALA 62 Cb 1.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1afj h ALA 62 CO 0.20 0.03 -1.05 -0.25 0.00 0.00 0.00 179.25 178.18 1afj n ASP 63 N -3.98 0.80 0.21 0.00 8.00 0.10 -3.55 116.55 118.12 1afj n ASP 63 Ca -0.03 0.30 0.14 0.00 0.71 0.00 0.00 54.79 55.91 1afj n ASP 63 Cb 0.11 0.54 0.50 0.00 -0.02 0.00 0.00 41.12 42.24 1afj n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1afj h ALA 64 N 2.02 1.00 0.00 2.24 0.00 0.23 -3.46 119.26 121.30 1afj h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1afj h ALA 64 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1afj h ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1afj n GLY 65 N 0.42 1.93 2.62 0.00 0.00 -0.79 -5.07 105.19 104.29 1afj n GLY 65 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 0.78 -0.66 1.61 2.02 -0.55 -4.92 117.35 113.62 1afj s TYR 66 Ca 0.00 -1.10 -0.26 0.00 -0.37 0.00 0.00 57.07 55.35 1afj s TYR 66 Cb 0.00 -1.14 -0.12 0.00 -0.40 0.00 0.00 41.96 40.30 1afj s TYR 66 CO 0.00 -0.81 2.42 -2.30 -1.57 0.00 0.00 175.55 173.30 1afj n PRO 67 N 5.12 0.74 -1.24 -1.71 -0.02 -1.26 -3.39 135.00 133.23 1afj n PRO 67 Ca -0.05 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1afj n PRO 67 Cb 0.43 -3.41 0.00 0.00 -0.02 0.00 0.00 33.50 30.50 1afj n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1afj n SER 68 N 16.71 0.89 -3.37 2.55 2.88 -1.26 -3.60 113.62 128.42 1afj n SER 68 Ca 0.44 -0.86 -0.17 0.00 -1.33 0.00 0.00 58.87 56.95 1afj n SER 68 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1afj n SER 68 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1afj s SER 69 N -0.87 1.29 0.02 -3.46 1.04 0.53 -4.93 113.70 107.32 1afj s SER 69 Ca 0.00 -1.63 0.01 0.00 0.48 0.00 0.00 55.95 54.81 1afj s SER 69 Cb 0.00 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 1afj s SER 69 CO 0.00 -1.14 -0.04 0.54 0.98 0.00 0.00 173.24 173.57 1afj s VAL 70 N -3.34 0.27 -0.46 5.02 0.11 -1.26 -1.78 120.40 118.96 1afj s VAL 70 Ca 0.37 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1afj s VAL 70 Cb 0.02 -0.36 0.19 0.00 -1.53 0.00 0.00 36.38 34.70 1afj s VAL 70 CO 0.24 -0.35 0.42 1.17 -3.33 0.00 0.00 175.10 173.25 1afj n LYS 71 N 1.84 0.65 0.00 1.54 4.81 -0.79 -4.97 118.16 121.24 1afj n LYS 71 Ca -0.21 -3.45 0.00 0.00 -0.87 0.00 0.00 58.31 53.78 1afj n LYS 71 Cb 0.56 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1afj n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57