#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 -0.81 0.10 0.00 -1.32 -1.25 -2.07 115.64 110.29 1afj s THR 2 Ca 0.00 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.30 1afj s THR 2 Cb 0.00 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1afj s THR 2 CO 0.00 -0.16 -0.05 -1.10 -2.21 0.00 0.00 174.62 171.10 1afj s GLN 3 N 2.12 2.33 -0.11 7.08 -1.52 -0.34 -4.85 119.66 124.36 1afj s GLN 3 Ca 0.14 -0.94 -0.00 0.00 -1.95 0.00 0.00 55.36 52.60 1afj s GLN 3 Cb -0.09 -2.41 0.02 0.00 -0.22 0.00 0.00 33.01 30.31 1afj s GLN 3 CO -0.15 0.52 -0.08 0.99 -0.25 0.00 0.00 175.29 176.32 1afj s THR 4 N -1.29 1.03 0.33 -0.19 2.01 -1.26 -1.37 115.64 114.91 1afj s THR 4 Ca 0.24 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1afj s THR 4 Cb -0.11 -1.04 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 1afj s THR 4 CO 0.16 0.37 0.06 0.68 -0.69 0.00 0.00 174.62 175.20 1afj s VAL 5 N 1.64 1.20 0.22 3.82 -7.23 -0.56 -4.89 120.40 114.60 1afj s VAL 5 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1afj s VAL 5 Cb -0.13 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1afj s VAL 5 CO -0.07 0.00 0.10 0.28 -0.31 0.00 0.00 175.10 175.10 1afj s THR 6 N -3.26 4.13 0.08 5.32 -1.32 -1.26 -1.28 115.64 118.04 1afj s THR 6 Ca 0.36 -1.42 0.04 0.00 -1.21 0.00 0.00 61.69 59.46 1afj s THR 6 Cb 0.09 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.88 1afj s THR 6 CO 0.15 -0.24 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.45 1afj s LEU 7 N -3.44 2.33 -0.26 9.08 1.02 0.39 -1.68 118.68 126.11 1afj s LEU 7 Ca 0.31 -0.69 0.03 0.00 0.02 0.00 0.00 54.13 53.79 1afj s LEU 7 Cb -0.08 -0.37 0.06 0.00 0.02 0.00 0.00 46.19 45.82 1afj s LEU 7 CO 0.22 -0.18 -0.09 0.00 0.02 0.00 0.00 176.35 176.33 1afj s ALA 8 N -1.80 2.50 -0.85 4.21 0.00 -0.67 -1.29 121.76 123.86 1afj s ALA 8 Ca 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1afj s ALA 8 Cb -0.07 -1.60 0.25 0.00 0.00 0.00 0.00 23.12 21.71 1afj s ALA 8 CO 0.01 -1.24 0.95 0.28 0.00 0.00 0.00 175.76 175.76 1afj n VAL 9 N 4.45 3.36 0.46 0.00 0.31 -1.15 -0.30 118.33 125.45 1afj n VAL 9 Ca -0.12 -5.36 0.05 0.00 -0.01 0.00 0.00 64.34 58.90 1afj n VAL 9 Cb 0.42 -2.19 0.26 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.51 0.09 -0.31 5.55 -0.04 -1.26 -3.25 135.00 137.29 1afj n PRO 10 Ca 0.26 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1afj n PRO 10 Cb 0.37 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.84 1.50 -2.80 0.55 0.00 -1.86 -3.43 103.07 98.87 1afj h GLY 11 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1afj h GLY 11 CO 0.00 -0.15 -0.12 1.06 0.00 0.00 0.00 176.54 177.32 1afj s MET 12 N -5.92 1.20 -0.30 4.80 -1.94 -1.20 -4.94 119.30 111.01 1afj s MET 12 Ca -0.12 -0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 52.81 1afj s MET 12 Cb 0.24 0.45 0.18 0.00 2.01 0.00 0.00 34.83 37.71 1afj s MET 12 CO 0.78 -0.48 1.07 -0.08 -0.01 0.00 0.00 175.02 176.30 1afj s THR 13 N -3.88 -0.29 0.00 2.05 -1.32 -1.26 -4.30 115.64 106.63 1afj s THR 13 Ca 0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1afj s THR 13 Cb 0.01 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1afj s THR 13 CO -0.05 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.36 1afj n ALA 15 N -1.68 0.00 -1.39 0.00 0.00 -1.25 -4.60 120.51 111.58 1afj n ALA 15 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1afj n ALA 15 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 2.55 0.02 0.00 0.00 -1.26 -4.62 120.51 117.19 1afj n ALA 16 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1afj n ALA 16 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.00 0.77 -0.77 0.00 0.11 -1.82 0.55 132.00 130.85 1afj h PRO 18 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1afj h PRO 18 Cb 0.00 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 30.90 1afj h PRO 18 CO 0.00 0.51 0.42 0.97 -0.21 0.00 0.00 178.00 179.69 1afj h ILE 19 N 0.80 1.23 0.00 4.15 2.10 -1.82 0.54 117.51 124.51 1afj h ILE 19 Ca 0.52 -0.56 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 1afj h ILE 19 Cb 0.76 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1afj h ILE 19 CO -0.29 0.25 -0.02 0.74 -1.08 0.00 0.00 178.15 177.75 1afj h THR 20 N 1.07 0.22 0.01 2.19 2.02 -0.09 0.11 112.91 118.43 1afj h THR 20 Ca 0.27 -0.12 -0.20 0.00 0.77 0.00 0.00 66.41 67.14 1afj h THR 20 Cb 0.02 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1afj h THR 20 CO -0.04 0.02 -0.91 0.58 0.37 0.00 0.00 175.52 175.53 1afj h VAL 21 N 0.00 1.56 -0.47 3.16 2.07 -0.26 -2.21 116.25 120.11 1afj h VAL 21 Ca -0.00 -2.85 -0.07 0.00 0.82 0.00 0.00 66.70 64.60 1afj h VAL 21 Cb 0.09 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1afj h VAL 21 CO 0.00 0.82 -0.01 0.50 0.02 0.00 0.00 177.57 178.91 1afj h LYS 22 N 0.05 0.77 -0.05 1.57 3.11 -0.54 -1.71 116.57 119.78 1afj h LYS 22 Ca -0.03 -0.21 -0.18 0.00 -2.81 0.00 0.00 60.65 57.42 1afj h LYS 22 Cb 1.57 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.70 1afj h LYS 22 CO 0.13 0.78 -0.76 -0.22 -2.81 0.00 0.00 179.45 176.58 1afj h LYS 23 N 0.72 0.31 -0.01 1.90 3.11 -1.42 -2.69 116.57 118.49 1afj h LYS 23 Ca 0.14 -0.27 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1afj h LYS 23 Cb 0.45 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1afj h LYS 23 CO 0.02 0.93 0.01 0.00 -2.81 0.00 0.00 179.45 177.59 1afj h ALA 24 N 0.99 0.02 -0.20 5.00 0.00 -0.78 -0.80 119.26 123.49 1afj h ALA 24 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1afj h ALA 24 Cb 1.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1afj h ALA 24 CO 0.12 -0.43 0.02 -0.07 0.00 0.00 0.00 179.25 178.90 1afj h LEU 25 N -0.10 0.32 -2.14 0.00 3.38 -1.38 0.52 115.31 115.92 1afj h LEU 25 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1afj h LEU 25 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1afj h LEU 25 CO -0.00 0.51 0.00 -1.28 0.09 0.00 0.00 178.44 177.76 1afj h SER 26 N 0.12 0.00 0.00 -0.43 0.87 -1.42 -0.02 113.55 112.67 1afj h SER 26 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1afj h SER 26 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1afj h SER 26 CO 0.01 0.00 -1.15 0.29 -0.53 0.00 0.00 176.83 175.45 1afj n LYS 27 N -2.69 1.01 -0.09 2.24 4.01 -0.31 -4.53 118.16 117.79 1afj n LYS 27 Ca -0.02 -0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.61 1afj n LYS 27 Cb 0.08 -1.36 -0.07 0.00 -0.51 0.00 0.00 35.03 33.17 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 0.00 0.08 0.00 -0.18 2.07 0.20 -3.48 116.25 114.95 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 0.54 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 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 -5.42 0.00 0.26 1.57 -0.58 -1.26 -4.92 120.64 110.31 1afj n GLU 29 Ca -0.03 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.86 1afj n GLU 29 Cb 0.36 0.00 0.70 0.00 -0.57 0.00 0.00 31.44 31.93 1afj n GLU 29 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1afj h GLY 30 N 0.00 0.00 -6.65 0.62 0.00 -1.83 -3.44 103.07 91.77 1afj h GLY 30 Ca 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 47.33 46.51 1afj h GLY 30 CO 0.00 0.00 0.68 -0.62 0.00 0.00 0.00 176.54 176.60 1afj n VAL 31 N -3.36 0.09 0.27 4.60 0.31 -1.26 -2.43 118.33 116.54 1afj n VAL 31 Ca -0.01 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1afj n VAL 31 Cb 0.29 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 1afj n VAL 31 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1afj n SER 32 N 4.10 1.42 -3.63 4.52 7.64 -0.48 -4.88 113.62 122.31 1afj n SER 32 Ca 0.28 -0.40 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 1afj n SER 32 Cb 0.02 1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 64.41 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 -2.41 0.98 0.03 1.43 2.20 -1.05 -4.98 119.74 115.95 1afj s LYS 33 Ca 0.00 -0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.09 1afj s LYS 33 Cb 0.08 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1afj s LYS 33 CO 0.47 -0.35 0.29 0.08 -0.36 0.00 0.00 175.35 175.47 1afj s VAL 34 N -2.71 0.08 -0.32 4.02 1.01 -1.26 -1.69 120.40 119.53 1afj s VAL 34 Ca -0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1afj s VAL 34 Cb -0.00 -0.84 0.19 0.00 0.00 0.00 0.00 36.38 35.72 1afj s VAL 34 CO -0.04 -0.36 0.91 -1.81 0.00 0.00 0.00 175.10 173.80 1afj s ASP 35 N -1.87 -0.76 0.00 3.32 1.01 0.73 -4.97 116.67 114.14 1afj s ASP 35 Ca -0.07 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1afj s ASP 35 Cb -0.02 1.21 0.00 0.00 1.01 0.00 0.00 42.92 45.12 1afj s ASP 35 CO -0.01 -0.11 0.00 1.33 0.21 0.00 0.00 175.17 176.59 1afj n VAL 36 N 4.55 0.00 -3.45 -1.27 0.24 -1.26 -0.97 118.33 116.17 1afj n VAL 36 Ca 0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 1afj n VAL 36 Cb 0.59 -0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.70 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 -0.15 -0.09 -1.54 7.63 0.00 0.56 -4.83 107.32 108.90 1afj s GLY 37 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 44.72 44.93 1afj s GLY 37 CO 0.00 2.32 2.70 1.97 0.00 0.00 0.00 173.10 180.09 1afj n PHE 38 N 5.33 2.67 0.00 1.90 -1.74 -1.26 -3.02 117.46 121.33 1afj n PHE 38 Ca -0.05 -3.02 0.00 0.00 -0.56 0.00 0.00 57.45 53.82 1afj n PHE 38 Cb 0.49 -2.39 0.00 0.00 1.52 0.00 0.00 39.48 39.10 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 3.77 0.00 -1.74 3.97 4.07 -1.26 -3.91 120.64 125.54 1afj n GLU 39 Ca 0.70 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 57.51 1afj n GLU 39 Cb 0.27 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.69 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 3.21 -1.74 5.31 5.02 -1.24 -4.49 118.16 124.23 1afj n LYS 40 Ca 0.00 -3.80 -0.10 0.00 -2.02 0.00 0.00 58.31 52.39 1afj n LYS 40 Cb 0.00 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 32.74 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1afj n ARG 41 N -0.79 -0.48 -3.53 1.97 -4.01 -1.21 -4.89 116.66 103.72 1afj n ARG 41 Ca 0.52 0.35 -0.16 0.00 -1.04 0.00 0.00 57.85 57.52 1afj n ARG 41 Cb 0.82 -0.51 -0.13 0.00 -3.04 0.00 0.00 32.46 29.60 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1afj s GLU 42 N -0.80 0.19 -0.27 2.89 2.56 -1.17 -2.95 118.70 119.16 1afj s GLU 42 Ca 0.09 0.39 -0.04 0.00 0.00 0.00 0.00 54.97 55.41 1afj s GLU 42 Cb -0.01 -0.80 0.02 0.00 2.00 0.00 0.00 34.13 35.34 1afj s GLU 42 CO 0.22 -0.54 -0.00 0.00 -0.56 0.00 0.00 175.26 174.38 1afj s ALA 43 N 2.37 2.85 -0.22 6.30 0.00 -0.41 0.21 121.76 132.86 1afj s ALA 43 Ca 0.06 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1afj s ALA 43 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1afj s ALA 43 CO -0.11 -0.86 0.01 0.08 0.00 0.00 0.00 175.76 174.88 1afj s VAL 44 N 1.40 3.92 0.06 0.00 1.01 -0.14 0.15 120.40 126.79 1afj s VAL 44 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1afj s VAL 44 Cb -0.17 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1afj s VAL 44 CO -0.02 0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 1afj s VAL 45 N 1.34 0.50 0.23 2.92 1.01 -0.40 -0.19 120.40 125.80 1afj s VAL 45 Ca 0.04 -1.47 0.10 0.00 0.00 0.00 0.00 61.98 60.65 1afj s VAL 45 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1afj s VAL 45 CO 0.01 -0.66 -0.11 -0.89 0.00 0.00 0.00 175.10 173.45 1afj s THR 46 N -2.56 3.01 0.08 3.92 2.01 -0.68 -1.50 115.64 119.91 1afj s THR 46 Ca -0.00 -1.94 -0.26 0.00 0.31 0.00 0.00 61.69 59.80 1afj s THR 46 Cb -0.02 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.04 1afj s THR 46 CO -0.03 -0.25 1.17 0.72 -0.69 0.00 0.00 174.62 175.54 1afj s PHE 47 N -2.05 0.04 -0.24 4.92 -0.12 -0.47 -1.39 117.98 118.67 1afj s PHE 47 Ca 0.27 -0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 56.80 1afj s PHE 47 Cb -0.07 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1afj s PHE 47 CO 0.16 -0.57 0.06 -0.51 -0.05 0.00 0.00 175.22 174.31 1afj s ASP 48 N -3.59 5.06 0.00 1.98 1.01 -1.02 -1.20 116.67 118.91 1afj s ASP 48 Ca 0.25 -0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.34 1afj s ASP 48 Cb -0.01 -1.90 0.19 0.00 1.01 0.00 0.00 42.92 42.20 1afj s ASP 48 CO 0.02 -0.02 1.06 -0.90 0.21 0.00 0.00 175.17 175.54 1afj n ASP 49 N 4.84 0.00 0.22 0.27 5.68 -0.88 -1.92 116.55 124.76 1afj n ASP 49 Ca -0.16 0.40 0.07 0.00 -0.50 0.00 0.00 54.79 54.60 1afj n ASP 49 Cb 0.51 -0.42 0.51 0.00 -1.14 0.00 0.00 41.12 40.58 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1afj h THR 50 N 0.00 0.91 0.00 2.12 1.35 -1.93 -3.30 112.91 112.06 1afj h THR 50 Ca 0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1afj h THR 50 Cb 0.06 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1afj h THR 50 CO 0.00 0.25 0.00 0.29 -0.25 0.00 0.00 175.52 175.81 1afj n LYS 51 N -3.84 3.41 -1.30 4.72 5.02 -0.82 -5.05 118.16 120.29 1afj n LYS 51 Ca -0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1afj n LYS 51 Cb 0.34 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 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 -0.50 0.00 -3.63 7.82 0.00 -0.81 -3.81 120.51 119.58 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 -0.03 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 -0.46 -0.05 0.35 0.00 0.15 -1.26 -4.10 113.70 108.33 1afj s SER 53 Ca 0.00 0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.85 1afj s SER 53 Cb 0.00 0.05 1.19 0.00 -1.71 0.00 0.00 66.02 65.55 1afj s SER 53 CO 0.00 -0.07 1.63 0.58 1.20 0.00 0.00 173.24 176.58 1afj h VAL 54 N 2.04 0.19 -0.37 4.45 2.07 -1.99 0.98 116.25 123.62 1afj h VAL 54 Ca -0.06 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1afj h VAL 54 Cb 1.16 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1afj h VAL 54 CO 0.21 0.04 0.23 -0.61 0.02 0.00 0.00 177.57 177.45 1afj h GLN 55 N 0.21 0.51 0.00 1.57 4.15 -1.99 -1.72 115.11 117.83 1afj h GLN 55 Ca 0.78 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 60.14 1afj h GLN 55 Cb 1.89 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.47 1afj h GLN 55 CO -0.66 0.38 -0.07 0.87 -1.93 0.00 0.00 178.83 177.42 1afj h LYS 56 N 0.49 0.00 0.21 1.69 1.57 0.57 0.16 116.57 121.25 1afj h LYS 56 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 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 -0.03 0.07 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.76 1afj h LEU 57 N 0.00 -0.23 -2.20 2.94 3.38 -0.31 0.11 115.31 118.99 1afj h LEU 57 Ca -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1afj h LEU 57 Cb 0.41 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1afj h LEU 57 CO 0.01 0.30 -0.01 0.74 0.09 0.00 0.00 178.44 179.56 1afj h THR 58 N -0.98 0.05 0.00 0.22 2.02 -1.36 -0.62 112.91 112.25 1afj h THR 58 Ca -0.03 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.68 1afj h THR 58 Cb 0.44 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1afj h THR 58 CO 0.05 0.01 -0.96 0.50 0.37 0.00 0.00 175.52 175.49 1afj h LYS 59 N 0.00 0.00 -0.38 6.66 3.64 -0.60 -0.65 116.57 125.24 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 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1afj h LYS 59 CO 0.00 0.76 -0.20 0.00 -2.27 0.00 0.00 179.45 177.74 1afj h ALA 60 N 1.17 0.54 -0.05 5.00 0.00 0.83 0.16 119.26 126.91 1afj h ALA 60 Ca -0.05 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1afj h ALA 60 Cb 1.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1afj h ALA 60 CO 0.10 0.50 -0.86 0.00 0.00 0.00 0.00 179.25 178.99 1afj h THR 61 N 0.61 1.36 0.00 0.00 1.03 -1.54 0.34 112.91 114.71 1afj h THR 61 Ca 0.08 -2.26 -0.00 0.00 -0.01 0.00 0.00 66.41 64.22 1afj h THR 61 Cb 0.76 2.25 -0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1afj h THR 61 CO 0.06 0.68 -0.02 0.00 -0.01 0.00 0.00 175.52 176.24 1afj h ALA 62 N 0.73 1.69 0.00 0.00 0.00 -0.88 0.20 119.26 121.00 1afj h ALA 62 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1afj h ALA 62 Cb 1.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1afj h ALA 62 CO 0.16 0.02 -0.98 -3.47 0.00 0.00 0.00 179.25 174.97 1afj n ASP 63 N -4.11 0.83 0.23 0.00 -0.08 0.55 -3.52 116.55 110.44 1afj n ASP 63 Ca -0.03 0.29 0.15 0.00 -1.51 0.00 0.00 54.79 53.70 1afj n ASP 63 Cb 0.10 0.44 0.52 0.00 2.34 0.00 0.00 41.12 44.53 1afj n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1afj h ALA 64 N 2.06 1.00 0.00 -1.67 0.00 0.15 -3.45 119.26 117.34 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 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 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 0.35 1.92 2.57 0.00 0.00 -0.79 -5.08 105.19 104.17 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 0.68 -0.70 1.61 2.02 -0.58 -4.86 117.35 113.51 1afj s TYR 66 Ca 0.00 -1.18 -0.25 0.00 -0.37 0.00 0.00 57.07 55.27 1afj s TYR 66 Cb 0.00 -1.08 -0.13 0.00 -0.40 0.00 0.00 41.96 40.35 1afj s TYR 66 CO 0.00 -0.84 2.41 -2.30 -1.57 0.00 0.00 175.55 173.26 1afj n PRO 67 N 4.97 0.68 -0.20 -1.71 -0.02 -1.26 -3.34 135.00 134.10 1afj n PRO 67 Ca -0.02 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 1afj n PRO 67 Cb 0.41 -3.38 0.00 0.00 -0.02 0.00 0.00 33.50 30.51 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 16.74 0.84 -0.95 2.55 3.41 -1.26 -3.81 113.62 131.15 1afj n SER 68 Ca 0.45 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1afj n SER 68 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.31 0.00 -4.16 4.04 3.41 0.58 -4.94 113.62 112.24 1afj n SER 69 Ca 0.00 -0.95 -0.11 0.00 -0.26 0.00 0.00 58.87 57.55 1afj n SER 69 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.84 0.70 -0.30 -3.33 0.11 -1.26 -1.67 120.40 111.81 1afj s VAL 70 Ca 0.00 -1.85 0.04 0.00 -2.93 0.00 0.00 61.98 57.24 1afj s VAL 70 Cb 0.00 -1.57 0.17 0.00 -1.53 0.00 0.00 36.38 33.44 1afj s VAL 70 CO 0.00 -0.81 1.11 2.29 -3.33 0.00 0.00 175.10 174.36 1afj n LYS 71 N 0.12 0.52 0.00 1.54 2.85 -0.68 -4.88 118.16 117.63 1afj n LYS 71 Ca -0.13 -0.94 0.00 0.00 -1.05 0.00 0.00 58.31 56.18 1afj n LYS 71 Cb 0.60 0.02 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1afj n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35