#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 -0.59 0.32 0.00 -4.23 -1.25 -1.79 115.64 108.10 1afj s THR 2 Ca 0.00 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1afj s THR 2 Cb 0.00 -0.41 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1afj s THR 2 CO 0.00 -0.36 -0.08 0.00 -0.54 0.00 0.00 174.62 173.64 1afj s GLN 3 N 1.56 1.72 -0.03 3.99 -2.07 -0.27 -4.86 119.66 119.70 1afj s GLN 3 Ca 0.17 -1.89 0.04 0.00 -1.82 0.00 0.00 55.36 51.86 1afj s GLN 3 Cb -0.11 -1.49 -0.00 0.00 -1.09 0.00 0.00 33.01 30.32 1afj s GLN 3 CO -0.04 0.09 -0.14 0.99 -1.32 0.00 0.00 175.29 174.87 1afj s THR 4 N -2.77 1.14 0.27 3.63 2.01 -1.26 -0.96 115.64 117.69 1afj s THR 4 Ca 0.32 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1afj s THR 4 Cb 0.03 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 1afj s THR 4 CO 0.15 0.34 0.03 0.68 -0.69 0.00 0.00 174.62 175.12 1afj s VAL 5 N 0.05 1.06 0.20 3.82 -7.23 -0.19 -4.95 120.40 113.17 1afj s VAL 5 Ca -0.02 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1afj s VAL 5 Cb -0.10 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1afj s VAL 5 CO 0.01 -0.18 0.14 0.42 -0.31 0.00 0.00 175.10 175.18 1afj s THR 6 N -3.40 4.36 0.05 5.32 -4.23 -1.26 -1.06 115.64 115.41 1afj s THR 6 Ca 0.32 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1afj s THR 6 Cb 0.07 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1afj s THR 6 CO 0.12 -0.22 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.12 1afj s LEU 7 N -3.41 2.25 -0.23 4.79 1.02 0.27 -1.76 118.68 121.61 1afj s LEU 7 Ca 0.31 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.94 1afj s LEU 7 Cb -0.09 -0.31 0.04 0.00 0.02 0.00 0.00 46.19 45.86 1afj s LEU 7 CO 0.23 -0.14 -0.14 0.00 0.02 0.00 0.00 176.35 176.32 1afj s ALA 8 N -1.25 2.48 -0.76 4.21 0.00 -0.59 -1.14 121.76 124.70 1afj s ALA 8 Ca -0.06 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1afj s ALA 8 Cb -0.09 -1.43 0.20 0.00 0.00 0.00 0.00 23.12 21.79 1afj s ALA 8 CO 0.01 -0.86 0.64 0.28 0.00 0.00 0.00 175.76 175.83 1afj n VAL 9 N 4.51 2.23 -0.56 0.00 0.31 -1.26 -0.38 118.33 123.18 1afj n VAL 9 Ca -0.17 -5.03 -0.02 0.00 -0.01 0.00 0.00 64.34 59.12 1afj n VAL 9 Cb 0.45 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 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 1.83 1.11 0.00 5.55 -0.04 -1.26 -3.67 135.00 138.53 1afj n PRO 10 Ca 0.22 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1afj n PRO 10 Cb 0.36 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.47 -0.34 0.56 0.55 0.00 -1.26 -4.76 105.19 101.40 1afj n GLY 11 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1afj n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1afj n MET 12 N -0.11 0.00 -1.52 1.61 0.00 -1.24 -4.85 117.12 111.01 1afj n MET 12 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 57.70 57.28 1afj n MET 12 Cb 0.09 0.05 -0.14 0.00 0.00 0.00 0.00 33.22 33.21 1afj n MET 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1afj n THR 13 N 0.00 -0.01 -3.15 3.17 -1.04 -1.26 -3.89 114.28 108.10 1afj n THR 13 Ca -0.03 -0.41 0.06 0.00 -2.04 0.00 0.00 64.05 61.63 1afj n THR 13 Cb 0.53 -0.99 -0.02 0.00 -1.82 0.00 0.00 70.33 68.03 1afj n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afj n ALA 15 N 5.29 0.11 0.00 0.00 0.00 -1.26 -2.27 120.51 122.37 1afj n ALA 15 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1afj n ALA 15 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 1.30 0.00 -0.10 0.00 0.00 -1.26 -4.97 120.51 115.48 1afj n ALA 16 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1afj n ALA 16 Cb 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.45 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 1.13 0.00 0.00 0.11 -1.75 0.42 132.00 131.93 1afj h PRO 18 Ca -0.54 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.46 1afj h PRO 18 Cb 1.95 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.80 1afj h PRO 18 CO -0.04 0.75 -0.19 0.82 -0.21 0.00 0.00 178.00 179.13 1afj h ILE 19 N 1.17 1.09 0.00 4.15 2.04 -1.83 0.10 117.51 124.23 1afj h ILE 19 Ca 0.32 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1afj h ILE 19 Cb -0.12 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1afj h ILE 19 CO -0.07 0.18 -0.10 0.74 0.00 0.00 0.00 178.15 178.90 1afj h THR 20 N 0.00 0.45 0.00 -0.27 2.02 -0.28 0.18 112.91 115.01 1afj h THR 20 Ca -0.00 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 1afj h THR 20 Cb 0.34 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1afj h THR 20 CO 0.02 0.10 -0.51 0.58 0.37 0.00 0.00 175.52 176.09 1afj h VAL 21 N 0.00 1.36 -0.50 3.16 2.07 -0.09 -0.75 116.25 121.49 1afj h VAL 21 Ca -0.00 -1.74 -0.12 0.00 0.82 0.00 0.00 66.70 65.66 1afj h VAL 21 Cb 0.35 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1afj h VAL 21 CO 0.01 0.50 -0.14 0.50 0.02 0.00 0.00 177.57 178.46 1afj h LYS 22 N 0.00 0.97 0.00 1.57 3.64 -0.90 -2.15 116.57 119.70 1afj h LYS 22 Ca -0.01 -0.37 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 1afj h LYS 22 Cb 0.90 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1afj h LYS 22 CO 0.07 1.04 -0.54 0.87 -2.27 0.00 0.00 179.45 178.61 1afj h LYS 23 N 0.85 0.00 -0.49 1.90 1.79 -1.24 -2.00 116.57 117.38 1afj h LYS 23 Ca 0.13 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1afj h LYS 23 Cb 0.70 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1afj h LYS 23 CO 0.05 0.54 0.17 0.00 -1.08 0.00 0.00 179.45 179.13 1afj h ALA 24 N 1.46 0.64 -0.04 3.86 0.00 -0.54 -1.32 119.26 123.31 1afj h ALA 24 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1afj h ALA 24 Cb 0.97 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1afj h ALA 24 CO 0.07 0.28 -0.86 -0.07 0.00 0.00 0.00 179.25 178.67 1afj h LEU 25 N 0.66 0.58 -2.32 0.00 3.38 -1.31 0.43 115.31 116.74 1afj h LEU 25 Ca 0.16 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1afj h LEU 25 Cb 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1afj h LEU 25 CO -0.01 1.21 0.00 -1.28 0.09 0.00 0.00 178.44 178.45 1afj h SER 26 N 0.29 0.00 -0.04 -0.43 0.87 -1.17 -1.69 113.55 111.39 1afj h SER 26 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1afj h SER 26 Cb 1.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1afj h SER 26 CO 0.15 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.74 1afj n LYS 27 N -3.06 0.35 -0.34 2.24 4.01 -0.52 -4.66 118.16 116.19 1afj n LYS 27 Ca -0.01 -1.01 0.09 0.00 -0.51 0.00 0.00 58.31 56.87 1afj n LYS 27 Cb 0.17 -1.12 0.27 0.00 -0.51 0.00 0.00 35.03 33.84 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 1.11 0.79 0.00 -0.18 3.04 0.85 -3.47 116.25 118.39 1afj h VAL 28 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1afj h VAL 28 Cb 0.31 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.49 1afj h VAL 28 CO 0.00 0.15 0.00 -0.62 -1.01 0.00 0.00 177.57 176.09 1afj n GLU 29 N -4.74 0.00 -0.22 4.17 1.02 -1.26 -4.93 120.64 114.67 1afj n GLU 29 Ca 0.20 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1afj n GLU 29 Cb 0.46 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.12 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 1.82 3.42 0.62 0.00 -1.25 -4.99 105.19 104.81 1afj n GLY 30 Ca 0.00 -0.74 -0.58 0.00 0.00 0.00 0.00 46.02 44.70 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 1.50 0.00 0.52 1.61 3.14 -1.26 -3.59 118.33 120.24 1afj n VAL 31 Ca 0.20 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.64 1afj n VAL 31 Cb 0.60 -0.03 -0.07 0.00 -1.06 0.00 0.00 33.84 33.28 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 1.61 0.73 -3.73 6.55 2.88 -0.37 -4.91 113.62 116.37 1afj n SER 32 Ca 0.20 -0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 56.98 1afj n SER 32 Cb 0.07 1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.57 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 -2.22 1.31 -0.08 -1.46 2.20 -1.01 -4.95 119.74 113.53 1afj s LYS 33 Ca 0.04 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1afj s LYS 33 Cb 0.09 0.47 0.10 0.00 -1.51 0.00 0.00 37.83 36.98 1afj s LYS 33 CO 0.50 -0.59 0.86 0.54 -0.36 0.00 0.00 175.35 176.30 1afj s VAL 34 N -3.45 0.00 -0.35 4.02 0.11 -1.26 -2.11 120.40 117.35 1afj s VAL 34 Ca 0.10 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1afj s VAL 34 Cb -0.02 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.01 1afj s VAL 34 CO 0.01 0.00 0.71 -0.62 -3.33 0.00 0.00 175.10 171.87 1afj s ASP 35 N -1.52 -1.32 0.49 3.54 2.15 0.39 -4.97 116.67 115.43 1afj s ASP 35 Ca -0.03 -0.35 0.07 0.00 0.43 0.00 0.00 52.55 52.67 1afj s ASP 35 Cb -0.00 1.73 0.01 0.00 -0.30 0.00 0.00 42.92 44.36 1afj s ASP 35 CO 0.01 -0.18 0.41 -0.69 -0.17 0.00 0.00 175.17 174.55 1afj s VAL 36 N 2.24 2.12 -0.10 1.11 1.01 -1.26 -1.56 120.40 123.96 1afj s VAL 36 Ca 0.15 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1afj s VAL 36 Cb -0.05 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1afj s VAL 36 CO -0.15 0.00 -0.07 -0.83 0.00 0.00 0.00 175.10 174.05 1afj s GLY 37 N -4.23 0.78 0.00 4.51 0.00 0.47 -4.95 107.32 103.89 1afj s GLY 37 Ca 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1afj s GLY 37 CO 0.25 0.75 0.00 1.97 0.00 0.00 0.00 173.10 176.07 1afj n PHE 38 N 4.81 0.00 0.00 1.90 1.16 -1.26 -2.14 117.46 121.93 1afj n PHE 38 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.44 1afj n PHE 38 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 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 0.00 -0.23 3.97 4.07 -1.26 0.17 120.64 127.36 1afj n GLU 39 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 1afj n GLU 39 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 1afj n GLU 39 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1afj n LYS 40 N 0.00 -0.24 0.00 5.31 5.02 -1.26 -4.26 118.16 122.73 1afj n LYS 40 Ca 0.00 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1afj n LYS 40 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.32 0.00 -3.37 1.97 0.00 0.13 -4.97 116.66 106.10 1afj n ARG 41 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.88 1afj n ARG 41 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.57 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 -1.00 0.33 -0.23 -0.14 -6.30 -1.14 -4.16 118.70 106.06 1afj s GLU 42 Ca 0.00 0.78 -0.04 0.00 -2.50 0.00 0.00 54.97 53.21 1afj s GLU 42 Cb 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 34.13 34.59 1afj s GLU 42 CO 0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 175.26 175.07 1afj s ALA 43 N 2.62 2.81 -0.23 6.30 0.00 -0.29 -0.40 121.76 132.57 1afj s ALA 43 Ca -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1afj s ALA 43 Cb -0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1afj s ALA 43 CO -0.17 -0.52 0.04 0.54 0.00 0.00 0.00 175.76 175.64 1afj s VAL 44 N 1.46 4.13 0.16 0.00 0.11 -0.60 0.97 120.40 126.63 1afj s VAL 44 Ca 0.05 -0.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1afj s VAL 44 Cb -0.15 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1afj s VAL 44 CO -0.03 0.38 -0.12 0.54 -3.33 0.00 0.00 175.10 172.54 1afj s VAL 45 N 1.35 1.40 0.19 2.04 0.11 -0.22 -0.46 120.40 124.80 1afj s VAL 45 Ca 0.05 -2.05 0.11 0.00 -2.93 0.00 0.00 61.98 57.15 1afj s VAL 45 Cb -0.15 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 1afj s VAL 45 CO 0.02 -0.63 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.08 1afj s THR 46 N -2.98 2.66 0.10 5.04 2.01 -0.90 -1.02 115.64 120.55 1afj s THR 46 Ca 0.17 -1.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.00 1afj s THR 46 Cb 0.00 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.29 1afj s THR 46 CO 0.03 -0.13 1.14 0.72 -0.69 0.00 0.00 174.62 175.69 1afj s PHE 47 N -1.74 0.06 -0.28 4.92 -0.12 -0.14 -1.24 117.98 119.45 1afj s PHE 47 Ca 0.23 -0.35 -0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1afj s PHE 47 Cb -0.08 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1afj s PHE 47 CO 0.12 -0.66 0.09 -0.51 -0.05 0.00 0.00 175.22 174.21 1afj s ASP 48 N -3.60 5.18 0.00 1.98 1.11 -1.24 -1.12 116.67 118.99 1afj s ASP 48 Ca 0.26 -0.47 0.06 0.00 0.18 0.00 0.00 52.55 52.58 1afj s ASP 48 Cb -0.02 -1.92 0.30 0.00 1.07 0.00 0.00 42.92 42.35 1afj s ASP 48 CO 0.03 -0.13 1.10 -0.67 1.18 0.00 0.00 175.17 176.68 1afj n ASP 49 N 4.91 0.00 0.19 0.27 2.03 -0.74 -1.86 116.55 121.35 1afj n ASP 49 Ca -0.15 0.30 0.05 0.00 0.52 0.00 0.00 54.79 55.51 1afj n ASP 49 Cb 0.50 -0.36 0.33 0.00 -0.72 0.00 0.00 41.12 40.87 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1afj h THR 50 N 0.00 0.89 0.00 5.18 1.35 -1.93 -3.28 112.91 115.12 1afj h THR 50 Ca 0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1afj h THR 50 Cb 0.07 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1afj h THR 50 CO 0.00 0.37 0.00 0.29 -0.25 0.00 0.00 175.52 175.93 1afj n LYS 51 N -3.54 -0.45 -0.66 4.72 5.02 -0.81 -5.02 118.16 117.43 1afj n LYS 51 Ca -0.00 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1afj n LYS 51 Cb 0.51 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.04 0.00 0.00 7.82 0.00 -0.78 -3.90 120.51 123.61 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 -0.68 0.00 -0.33 0.00 3.41 -1.26 -4.03 113.62 110.73 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 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 1afj n SER 53 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1afj h VAL 54 N 0.04 0.06 -0.31 -3.33 3.04 -1.98 0.89 116.25 114.67 1afj h VAL 54 Ca 0.00 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1afj h VAL 54 Cb 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.27 1afj h VAL 54 CO 0.00 0.01 0.19 -0.61 -1.01 0.00 0.00 177.57 176.15 1afj h GLN 55 N 0.06 0.42 0.00 4.17 5.75 -1.99 -1.54 115.11 121.97 1afj h GLN 55 Ca 0.73 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 59.18 1afj h GLN 55 Cb 1.77 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 30.23 1afj h GLN 55 CO -0.79 0.32 -0.09 0.87 -2.65 0.00 0.00 178.83 176.49 1afj h LYS 56 N 0.40 0.00 0.11 1.69 1.57 0.39 0.72 116.57 121.45 1afj h LYS 56 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1afj h LYS 56 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1afj h LYS 56 CO -0.02 0.09 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.82 1afj h LEU 57 N 0.00 -0.13 -2.32 2.94 3.38 -0.19 0.74 115.31 119.73 1afj h LEU 57 Ca -0.00 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1afj h LEU 57 Cb 0.31 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1afj h LEU 57 CO 0.01 0.44 -0.02 0.74 0.09 0.00 0.00 178.44 179.70 1afj h THR 58 N -0.77 0.13 0.00 0.22 2.02 -1.16 -0.05 112.91 113.29 1afj h THR 58 Ca -0.02 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1afj h THR 58 Cb 0.56 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1afj h THR 58 CO 0.02 0.02 -0.78 0.50 0.37 0.00 0.00 175.52 175.66 1afj h LYS 59 N 0.00 0.00 -0.20 6.66 3.64 -0.61 -0.58 116.57 125.48 1afj h LYS 59 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1afj h LYS 59 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1afj h LYS 59 CO 0.00 0.61 -0.34 0.00 -2.27 0.00 0.00 179.45 177.45 1afj h ALA 60 N 1.34 0.31 -0.09 5.00 0.00 0.11 0.20 119.26 126.13 1afj h ALA 60 Ca -0.03 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1afj h ALA 60 Cb 1.53 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.27 1afj h ALA 60 CO 0.08 0.37 -0.85 0.00 0.00 0.00 0.00 179.25 178.85 1afj h THR 61 N 0.26 1.31 0.00 0.00 1.03 -1.55 0.15 112.91 114.11 1afj h THR 61 Ca 0.01 -2.11 -0.00 0.00 -0.01 0.00 0.00 66.41 64.31 1afj h THR 61 Cb 0.93 2.13 -0.00 0.00 -1.07 0.00 0.00 68.15 70.14 1afj h THR 61 CO 0.08 0.65 -0.01 0.00 -0.01 0.00 0.00 175.52 176.24 1afj h ALA 62 N 0.60 1.71 0.00 0.00 0.00 -1.01 0.20 119.26 120.76 1afj h ALA 62 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1afj h ALA 62 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1afj h ALA 62 CO 0.17 0.01 -1.01 -3.47 0.00 0.00 0.00 179.25 174.95 1afj n ASP 63 N -4.12 0.83 0.15 0.00 2.03 0.69 -3.55 116.55 112.59 1afj n ASP 63 Ca -0.03 0.30 0.13 0.00 0.52 0.00 0.00 54.79 55.72 1afj n ASP 63 Cb 0.09 0.47 0.45 0.00 -0.72 0.00 0.00 41.12 41.41 1afj n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afj h ALA 64 N 2.03 1.00 0.00 -1.67 0.00 0.22 -3.45 119.26 117.39 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 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 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 0.60 1.89 2.55 0.00 0.00 -0.76 -5.07 105.19 104.40 1afj n GLY 65 Ca 0.03 0.00 -0.29 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 0.59 -0.67 1.61 2.02 -0.42 -4.92 117.35 113.56 1afj s TYR 66 Ca 0.00 -1.15 -0.26 0.00 -0.37 0.00 0.00 57.07 55.29 1afj s TYR 66 Cb 0.00 -1.02 -0.13 0.00 -0.40 0.00 0.00 41.96 40.42 1afj s TYR 66 CO 0.00 -0.83 2.45 -2.30 -1.57 0.00 0.00 175.55 173.29 1afj n PRO 67 N 4.94 0.69 -1.04 -1.71 -0.02 -1.26 -3.12 135.00 133.49 1afj n PRO 67 Ca -0.02 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1afj n PRO 67 Cb 0.41 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 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 15.10 0.89 -1.42 2.55 3.41 -1.26 -4.15 113.62 128.74 1afj n SER 68 Ca 0.46 -0.72 -0.02 0.00 -0.26 0.00 0.00 58.87 58.33 1afj n SER 68 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1afj n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1afj n SER 69 N -1.52 -0.46 -4.23 4.04 7.64 0.48 -4.94 113.62 114.63 1afj n SER 69 Ca 0.00 -1.38 -0.13 0.00 1.01 0.00 0.00 58.87 58.37 1afj n SER 69 Cb 0.00 0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 1afj n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1afj s VAL 70 N -2.71 0.89 -0.38 0.44 0.11 -1.26 -1.55 120.40 115.93 1afj s VAL 70 Ca 0.05 -2.00 0.12 0.00 -2.93 0.00 0.00 61.98 57.21 1afj s VAL 70 Cb -0.01 -1.93 0.39 0.00 -1.53 0.00 0.00 36.38 33.30 1afj s VAL 70 CO 0.03 -0.66 1.01 2.29 -3.33 0.00 0.00 175.10 174.44 1afj n LYS 71 N -0.19 1.08 0.00 1.54 2.85 -0.72 -4.85 118.16 117.86 1afj n LYS 71 Ca -0.09 -2.73 0.00 0.00 -1.05 0.00 0.00 58.31 54.44 1afj n LYS 71 Cb 0.62 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 1afj n LYS 71 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29