#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 -0.86 0.24 0.00 -4.23 -1.25 -1.60 115.64 107.94 1afj s THR 2 Ca 0.00 -0.21 0.10 0.00 -1.18 0.00 0.00 61.69 60.40 1afj s THR 2 Cb 0.00 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.59 1afj s THR 2 CO 0.00 -0.12 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.79 1afj s GLN 3 N 1.83 2.12 -0.06 3.99 -0.21 -0.39 -4.87 119.66 122.07 1afj s GLN 3 Ca 0.16 -1.42 -0.01 0.00 0.02 0.00 0.00 55.36 54.11 1afj s GLN 3 Cb -0.07 -2.10 0.03 0.00 1.00 0.00 0.00 33.01 31.87 1afj s GLN 3 CO -0.08 0.38 0.01 0.99 -2.12 0.00 0.00 175.29 174.48 1afj s THR 4 N -2.13 0.26 0.32 -0.19 2.01 -1.26 -0.83 115.64 113.82 1afj s THR 4 Ca 0.29 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1afj s THR 4 Cb -0.07 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1afj s THR 4 CO 0.17 0.23 0.11 0.68 -0.69 0.00 0.00 174.62 175.12 1afj s VAL 5 N 1.85 0.69 0.21 3.82 -7.23 -0.64 -4.85 120.40 114.26 1afj s VAL 5 Ca 0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1afj s VAL 5 Cb -0.12 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1afj s VAL 5 CO -0.04 0.00 0.09 0.28 -0.31 0.00 0.00 175.10 175.12 1afj s THR 6 N -3.47 4.08 0.17 5.32 -1.32 -1.20 -1.33 115.64 117.89 1afj s THR 6 Ca 0.34 -1.43 0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1afj s THR 6 Cb 0.06 -3.13 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 1afj s THR 6 CO 0.15 -0.23 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.41 1afj s LEU 7 N -3.39 2.47 -0.27 9.08 1.02 0.43 -1.65 118.68 126.36 1afj s LEU 7 Ca 0.31 -0.90 -0.01 0.00 0.02 0.00 0.00 54.13 53.54 1afj s LEU 7 Cb -0.08 -0.74 0.09 0.00 0.02 0.00 0.00 46.19 45.47 1afj s LEU 7 CO 0.22 -0.09 0.07 0.00 0.02 0.00 0.00 176.35 176.57 1afj s ALA 8 N -2.34 1.41 -0.42 4.21 0.00 0.40 -2.13 121.76 122.88 1afj s ALA 8 Ca 0.17 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1afj s ALA 8 Cb -0.04 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.68 1afj s ALA 8 CO 0.06 -1.50 0.25 0.08 0.00 0.00 0.00 175.76 174.65 1afj s VAL 9 N 1.67 3.93 -2.00 0.00 1.01 -1.26 -0.63 120.40 123.13 1afj s VAL 9 Ca 0.06 -1.65 0.14 0.00 0.00 0.00 0.00 61.98 60.53 1afj s VAL 9 Cb -0.17 -3.51 0.40 0.00 0.00 0.00 0.00 36.38 33.10 1afj s VAL 9 CO -0.20 -0.60 1.28 -0.81 0.00 0.00 0.00 175.10 174.78 1afj n PRO 10 N 4.82 0.57 0.00 2.72 -0.04 -1.26 -2.64 135.00 139.17 1afj n PRO 10 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1afj n PRO 10 Cb 0.42 -1.39 0.23 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.12 0.47 3.80 0.55 0.00 -1.26 -4.93 105.19 103.94 1afj n GLY 11 Ca 0.11 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.10 2.77 0.00 1.61 -1.94 -1.08 -4.92 119.30 113.65 1afj s MET 12 Ca 0.29 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1afj s MET 12 Cb 0.20 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 34.57 1afj s MET 12 CO 0.36 0.32 0.00 -2.37 -0.01 0.00 0.00 175.02 173.33 1afj n THR 13 N -1.18 0.00 -3.67 2.05 5.66 -1.26 -4.87 114.28 111.01 1afj n THR 13 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1afj n THR 13 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.50 3.36 0.00 0.00 0.00 -1.26 -3.21 120.51 118.90 1afj n ALA 15 Ca -0.08 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1afj n ALA 15 Cb 0.62 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 9.52 0.00 -0.08 0.00 0.00 -1.26 -4.98 120.51 123.72 1afj n ALA 16 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 1afj n ALA 16 Cb 0.45 0.00 -0.12 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 -0.45 0.91 -0.65 0.00 0.13 -1.79 -1.14 132.00 129.01 1afj h PRO 18 Ca -0.48 -0.25 0.03 0.00 -0.87 0.00 0.00 66.00 64.42 1afj h PRO 18 Cb 1.72 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.72 1afj h PRO 18 CO -0.12 0.89 0.43 0.97 -0.23 0.00 0.00 178.00 179.94 1afj h ILE 19 N 0.84 1.11 0.00 -3.56 2.10 -1.79 0.23 117.51 116.45 1afj h ILE 19 Ca 0.16 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.82 1afj h ILE 19 Cb 0.48 0.23 -0.00 0.00 -1.09 0.00 0.00 36.82 36.44 1afj h ILE 19 CO 0.02 0.15 -0.02 0.74 -1.08 0.00 0.00 178.15 177.96 1afj h THR 20 N 0.81 0.15 -0.12 2.19 2.02 -1.23 0.88 112.91 117.61 1afj h THR 20 Ca 0.25 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 1afj h THR 20 Cb 0.02 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1afj h THR 20 CO -0.07 0.02 -0.46 0.58 0.37 0.00 0.00 175.52 175.97 1afj h VAL 21 N 0.00 1.33 -0.54 3.16 2.07 -0.27 -0.67 116.25 121.33 1afj h VAL 21 Ca -0.00 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 1afj h VAL 21 Cb 0.19 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1afj h VAL 21 CO 0.00 0.49 0.00 0.50 0.02 0.00 0.00 177.57 178.59 1afj h LYS 22 N 0.24 0.96 0.00 1.57 3.64 -0.79 -1.39 116.57 120.80 1afj h LYS 22 Ca 0.02 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1afj h LYS 22 Cb 0.90 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1afj h LYS 22 CO 0.07 0.96 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.77 1afj h LYS 23 N 0.83 0.00 0.30 1.90 3.11 -1.25 -2.33 116.57 119.13 1afj h LYS 23 Ca 0.15 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1afj h LYS 23 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1afj h LYS 23 CO 0.03 0.23 -0.14 0.00 -2.81 0.00 0.00 179.45 176.75 1afj h ALA 24 N 1.77 -0.40 -0.69 5.00 0.00 -0.09 -1.15 119.26 123.70 1afj h ALA 24 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1afj h ALA 24 Cb 0.57 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1afj h ALA 24 CO 0.03 -0.49 0.40 -0.07 0.00 0.00 0.00 179.25 179.12 1afj h LEU 25 N -0.88 0.83 -1.42 0.00 3.38 -1.29 0.89 115.31 116.82 1afj h LEU 25 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1afj h LEU 25 Cb 0.52 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1afj h LEU 25 CO 0.07 0.65 -0.03 -1.28 0.09 0.00 0.00 178.44 177.94 1afj h SER 26 N 0.95 0.00 -0.26 -0.43 0.87 -1.42 -2.64 113.55 110.61 1afj h SER 26 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1afj h SER 26 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1afj h SER 26 CO -0.04 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.57 1afj n LYS 27 N -3.13 2.88 -0.11 2.24 4.01 0.12 -4.63 118.16 119.54 1afj n LYS 27 Ca 0.01 -1.99 -0.11 0.00 -0.51 0.00 0.00 58.31 55.71 1afj n LYS 27 Cb 0.32 -1.25 -0.03 0.00 -0.51 0.00 0.00 35.03 33.56 1afj n LYS 27 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1afj h VAL 28 N 1.55 1.26 0.00 -0.18 3.04 0.11 -3.49 116.25 118.54 1afj h VAL 28 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1afj h VAL 28 Cb 0.73 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1afj h VAL 28 CO 0.01 0.32 0.00 -0.62 -1.01 0.00 0.00 177.57 176.27 1afj n GLU 29 N -4.52 0.00 -0.02 4.17 1.02 -1.26 -4.93 120.64 115.09 1afj n GLU 29 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1afj n GLU 29 Cb 0.27 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.17 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 0.10 3.56 0.62 0.00 -1.24 -4.94 105.19 103.29 1afj n GLY 30 Ca 0.00 -0.45 -0.58 0.00 0.00 0.00 0.00 46.02 44.99 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 0.25 0.02 0.16 1.61 3.14 -1.26 -2.44 118.33 119.80 1afj n VAL 31 Ca 0.18 -0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.59 1afj n VAL 31 Cb 0.36 -0.36 -0.04 0.00 -1.06 0.00 0.00 33.84 32.73 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 2.26 1.85 -3.53 6.55 7.64 -0.55 -4.87 113.62 122.96 1afj n SER 32 Ca 0.21 -0.33 -0.11 0.00 1.01 0.00 0.00 58.87 59.64 1afj n SER 32 Cb 0.10 1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 64.42 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 -2.03 1.16 0.08 1.43 2.20 -1.06 -4.97 119.74 116.56 1afj s LYS 33 Ca 0.00 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.87 1afj s LYS 33 Cb 0.05 0.53 0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1afj s LYS 33 CO 0.27 -0.48 0.38 0.54 -0.36 0.00 0.00 175.35 175.70 1afj s VAL 34 N -3.72 0.07 -0.37 4.02 0.11 -1.26 -1.65 120.40 117.60 1afj s VAL 34 Ca 0.02 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1afj s VAL 34 Cb 0.00 -1.07 0.19 0.00 -1.53 0.00 0.00 36.38 33.97 1afj s VAL 34 CO -0.12 -0.32 0.93 -0.62 -3.33 0.00 0.00 175.10 171.64 1afj s ASP 35 N -2.42 -0.72 0.00 3.54 -1.08 0.17 -4.95 116.67 111.21 1afj s ASP 35 Ca -0.01 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 1afj s ASP 35 Cb 0.01 0.92 0.00 0.00 -1.46 0.00 0.00 42.92 42.39 1afj s ASP 35 CO -0.07 -0.07 0.00 1.33 0.52 0.00 0.00 175.17 176.88 1afj n VAL 36 N 3.61 0.00 -3.58 1.11 0.24 -1.26 -1.14 118.33 117.31 1afj n VAL 36 Ca 0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.22 1afj n VAL 36 Cb 0.61 -0.55 -0.14 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 -0.55 -0.01 0.00 7.63 0.00 0.33 -4.86 107.32 109.86 1afj s GLY 37 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1afj s GLY 37 CO 0.00 1.98 0.00 0.69 0.00 0.00 0.00 173.10 175.77 1afj n PHE 38 N 5.33 0.00 -0.34 1.90 3.72 -1.26 -0.99 117.46 125.82 1afj n PHE 38 Ca -0.05 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.63 1afj n PHE 38 Cb 0.50 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.64 1afj n PHE 38 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1afj h GLU 39 N 0.00 0.22 -0.88 -1.08 4.81 -1.87 0.13 114.58 115.91 1afj h GLU 39 Ca 0.00 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1afj h GLU 39 Cb 0.00 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 1afj h GLU 39 CO 0.00 0.15 0.48 -0.22 -0.73 0.00 0.00 179.01 178.69 1afj h LYS 40 N 0.23 0.68 -2.79 1.92 3.64 -1.91 -3.40 116.57 114.93 1afj h LYS 40 Ca 0.61 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1afj h LYS 40 Cb 1.89 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1afj h LYS 40 CO -0.21 0.45 0.00 -2.13 -2.27 0.00 0.00 179.45 175.29 1afj n ARG 41 N -4.81 0.00 -3.40 1.90 0.00 0.45 -5.02 116.66 105.77 1afj n ARG 41 Ca 0.17 0.47 0.01 0.00 -0.00 0.00 0.00 57.85 58.50 1afj n ARG 41 Cb 0.42 -1.40 -0.04 0.00 0.00 0.00 0.00 32.46 31.44 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1afj s GLU 42 N -2.93 0.27 -0.26 -0.14 2.12 -1.12 -4.32 118.70 112.32 1afj s GLU 42 Ca 0.00 0.66 -0.04 0.00 0.36 0.00 0.00 54.97 55.95 1afj s GLU 42 Cb 0.00 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.78 1afj s GLU 42 CO 0.00 -0.09 -0.00 0.00 -0.54 0.00 0.00 175.26 174.63 1afj s ALA 43 N 2.30 2.86 -0.27 6.30 0.00 -0.91 0.12 121.76 132.18 1afj s ALA 43 Ca -0.03 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 1afj s ALA 43 Cb -0.05 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1afj s ALA 43 CO -0.17 -0.81 0.06 0.08 0.00 0.00 0.00 175.76 174.92 1afj s VAL 44 N 1.41 4.02 0.06 0.00 1.01 -0.30 0.16 120.40 126.77 1afj s VAL 44 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1afj s VAL 44 Cb -0.17 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1afj s VAL 44 CO -0.01 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 174.54 1afj s VAL 45 N 1.54 0.47 0.28 2.92 1.01 -0.44 0.41 120.40 126.59 1afj s VAL 45 Ca 0.04 -1.50 0.10 0.00 0.00 0.00 0.00 61.98 60.62 1afj s VAL 45 Cb -0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1afj s VAL 45 CO 0.02 -0.69 -0.05 -0.89 0.00 0.00 0.00 175.10 173.49 1afj s THR 46 N -2.68 3.14 0.07 3.92 2.01 -0.66 -1.63 115.64 119.81 1afj s THR 46 Ca 0.00 -2.03 -0.16 0.00 0.31 0.00 0.00 61.69 59.81 1afj s THR 46 Cb -0.01 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.84 1afj s THR 46 CO -0.04 -0.36 0.75 2.22 -0.69 0.00 0.00 174.62 176.50 1afj n PHE 47 N -0.84 -0.78 -3.71 4.92 -1.74 -0.01 -1.49 117.46 113.81 1afj n PHE 47 Ca -0.06 -0.69 -0.38 0.00 -0.56 0.00 0.00 57.45 55.76 1afj n PHE 47 Cb 0.60 0.33 -0.12 0.00 1.52 0.00 0.00 39.48 41.81 1afj n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1afj s ASP 48 N -2.71 5.32 0.00 5.98 1.11 -1.02 -1.26 116.67 124.08 1afj s ASP 48 Ca 0.17 -0.66 0.04 0.00 0.18 0.00 0.00 52.55 52.28 1afj s ASP 48 Cb -0.01 -1.93 0.17 0.00 1.07 0.00 0.00 42.92 42.22 1afj s ASP 48 CO 0.02 -0.21 1.09 -0.67 1.18 0.00 0.00 175.17 176.58 1afj n ASP 49 N 4.92 0.00 0.22 0.27 2.03 -0.63 -1.12 116.55 122.24 1afj n ASP 49 Ca -0.14 0.44 0.07 0.00 0.52 0.00 0.00 54.79 55.68 1afj n ASP 49 Cb 0.48 -0.45 0.50 0.00 -0.72 0.00 0.00 41.12 40.93 1afj n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afj h THR 50 N 0.00 0.88 0.00 5.18 1.03 -1.93 -3.24 112.91 114.83 1afj h THR 50 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1afj h THR 50 Cb 0.06 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1afj h THR 50 CO 0.00 0.26 0.00 0.29 -0.01 0.00 0.00 175.52 176.06 1afj n LYS 51 N -3.78 -0.15 -1.39 0.00 5.02 -0.65 -5.09 118.16 112.12 1afj n LYS 51 Ca -0.01 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1afj n LYS 51 Cb 0.36 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.05 0.00 0.00 7.82 0.00 -0.27 -3.72 120.51 124.28 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.91 0.00 -0.34 0.00 3.41 -1.26 -4.07 113.62 109.46 1afj n SER 53 Ca 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.85 1afj n SER 53 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.03 0.30 -0.51 -3.33 -1.51 -1.99 1.02 116.25 110.26 1afj h VAL 54 Ca 0.00 -0.11 -0.03 0.00 -1.23 0.00 0.00 66.70 65.33 1afj h VAL 54 Cb 0.00 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.09 1afj h VAL 54 CO 0.00 0.06 0.21 -0.61 -1.23 0.00 0.00 177.57 176.00 1afj h GLN 55 N 0.32 0.76 0.00 5.19 5.75 -1.99 -2.02 115.11 123.11 1afj h GLN 55 Ca 0.74 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 59.08 1afj h GLN 55 Cb 1.70 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.12 1afj h GLN 55 CO -0.60 0.66 -0.14 -0.22 -2.65 0.00 0.00 178.83 175.89 1afj h LYS 56 N 0.69 0.00 0.32 1.69 3.64 0.64 0.27 116.57 123.82 1afj h LYS 56 Ca 0.17 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1afj h LYS 56 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1afj h LYS 56 CO -0.02 0.14 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.07 1afj h LEU 57 N 0.00 -0.37 -2.19 5.20 3.38 -0.36 0.25 115.31 121.21 1afj h LEU 57 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1afj h LEU 57 Cb 0.37 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1afj h LEU 57 CO 0.02 0.07 -0.03 0.74 0.09 0.00 0.00 178.44 179.32 1afj h THR 58 N -0.91 0.17 0.00 0.22 2.02 -1.37 -0.05 112.91 112.98 1afj h THR 58 Ca -0.04 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1afj h THR 58 Cb 0.52 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1afj h THR 58 CO 0.07 0.03 -0.51 0.11 0.37 0.00 0.00 175.52 175.59 1afj h LYS 59 N 0.00 0.00 -0.09 6.66 1.57 -0.68 0.14 116.57 124.17 1afj h LYS 59 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1afj h LYS 59 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1afj h LYS 59 CO 0.00 0.36 -0.46 0.00 -0.57 0.00 0.00 179.45 178.78 1afj h ALA 60 N 1.62 0.18 -0.01 3.86 0.00 0.14 0.16 119.26 125.21 1afj h ALA 60 Ca -0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 1afj h ALA 60 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1afj h ALA 60 CO 0.05 0.33 -0.90 0.00 0.00 0.00 0.00 179.25 178.72 1afj h THR 61 N 0.04 1.41 0.00 0.00 1.03 -1.55 -1.27 112.91 112.56 1afj h THR 61 Ca -0.03 -2.42 -0.02 0.00 -0.01 0.00 0.00 66.41 63.92 1afj h THR 61 Cb 1.11 2.38 -0.00 0.00 -1.07 0.00 0.00 68.15 70.56 1afj h THR 61 CO 0.09 0.72 -0.10 0.00 -0.01 0.00 0.00 175.52 176.22 1afj h ALA 62 N 0.79 1.81 0.00 0.00 0.00 -0.85 0.34 119.26 121.34 1afj h ALA 62 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1afj h ALA 62 Cb 1.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1afj h ALA 62 CO 0.15 0.13 -0.36 0.22 0.00 0.00 0.00 179.25 179.40 1afj h ASP 63 N 0.00 0.00 1.14 0.00 1.82 -0.20 -2.76 116.42 116.42 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 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1afj h ASP 63 CO 0.01 0.36 0.00 0.00 -1.61 0.00 0.00 179.24 178.00 1afj n ALA 64 N -2.20 2.12 0.00 -0.78 0.00 0.97 -4.84 120.51 115.78 1afj n ALA 64 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afj n ALA 64 Cb 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.98 1.71 2.49 0.00 0.00 -0.47 -5.08 105.19 104.82 1afj n GLY 65 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 1.23 -0.66 1.61 2.02 0.03 -4.98 117.35 114.60 1afj s TYR 66 Ca 0.00 -2.17 -0.26 0.00 -0.37 0.00 0.00 57.07 54.27 1afj s TYR 66 Cb 0.00 -1.15 -0.12 0.00 -0.40 0.00 0.00 41.96 40.28 1afj s TYR 66 CO 0.00 -0.80 2.46 -2.30 -1.57 0.00 0.00 175.55 173.33 1afj n PRO 67 N 3.28 0.71 -1.88 -1.71 -0.02 -1.26 -2.98 135.00 131.14 1afj n PRO 67 Ca 0.21 -0.15 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 1afj n PRO 67 Cb 0.42 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 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 14.89 1.19 -3.67 2.55 2.88 -1.26 -4.12 113.62 126.08 1afj n SER 68 Ca 0.46 -1.38 -0.12 0.00 -1.33 0.00 0.00 58.87 56.50 1afj n SER 68 Cb 0.41 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 1afj n SER 68 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1afj s SER 69 N -1.69 0.08 0.32 -3.46 0.01 0.20 -4.94 113.70 104.22 1afj s SER 69 Ca 0.08 0.72 -0.03 0.00 1.31 0.00 0.00 55.95 58.02 1afj s SER 69 Cb -0.01 0.86 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 1afj s SER 69 CO 0.05 -0.23 0.56 0.54 0.41 0.00 0.00 173.24 174.57 1afj s VAL 70 N 2.30 5.05 -0.35 3.43 0.11 -1.26 -0.46 120.40 129.23 1afj s VAL 70 Ca -0.01 -0.14 0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1afj s VAL 70 Cb -0.12 -3.79 0.42 0.00 -1.53 0.00 0.00 36.38 31.37 1afj s VAL 70 CO -0.10 -0.44 1.34 2.29 -3.33 0.00 0.00 175.10 174.86 1afj n LYS 71 N -1.32 1.31 0.00 1.54 2.85 -0.66 -4.95 118.16 116.94 1afj n LYS 71 Ca -0.03 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.21 1afj n LYS 71 Cb 0.55 -0.24 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1afj n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35