#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n69 h ASP 2 N 0.00 0.26 -0.47 1.61 2.03 -1.98 -1.99 116.42 115.88 1n69 h ASP 2 Ca 0.00 -0.22 -0.12 0.00 -0.73 0.00 0.00 57.03 55.95 1n69 h ASP 2 Cb 0.00 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.40 1n69 h ASP 2 CO 0.00 1.06 -0.17 1.62 -1.03 0.00 0.00 179.24 180.72 1n69 h VAL 3 N 0.10 1.27 -0.28 4.15 3.04 -1.98 0.22 116.25 122.77 1n69 h VAL 3 Ca -0.05 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 1n69 h VAL 3 Cb 1.59 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1n69 h VAL 3 CO 0.14 0.46 0.06 0.00 -1.01 0.00 0.00 177.57 177.22 1n69 h GLN 5 N 0.28 1.12 -0.34 0.00 4.20 -1.21 0.11 115.11 119.27 1n69 h GLN 5 Ca 0.09 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1n69 h GLN 5 Cb 0.31 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1n69 h GLN 5 CO 0.00 0.89 -0.24 -0.44 -0.67 0.00 0.00 178.83 178.37 1n69 h ASP 6 N 1.09 0.67 -0.21 1.46 3.32 -0.41 -0.31 116.42 122.03 1n69 h ASP 6 Ca 0.26 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1n69 h ASP 6 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1n69 h ASP 6 CO -0.03 0.89 -0.11 0.00 -1.72 0.00 0.00 179.24 178.27 1n69 h ILE 8 N 0.15 1.14 -0.39 0.00 2.04 -0.63 -0.79 117.51 119.03 1n69 h ILE 8 Ca 0.05 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1n69 h ILE 8 Cb 0.61 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1n69 h ILE 8 CO 0.03 0.20 0.05 -0.61 0.00 0.00 0.00 178.15 177.83 1n69 h GLN 9 N 1.11 0.65 -0.40 2.37 5.75 -0.94 -0.96 115.11 122.69 1n69 h GLN 9 Ca 0.35 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1n69 h GLN 9 Cb 0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1n69 h GLN 9 CO -0.12 0.71 0.22 1.98 -2.65 0.00 0.00 178.83 178.97 1n69 h MET 10 N 0.50 0.56 -0.51 1.69 4.05 -0.89 -0.75 114.93 119.58 1n69 h MET 10 Ca 0.12 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1n69 h MET 10 Cb 0.38 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1n69 h MET 10 CO 0.01 0.46 0.26 0.28 0.23 0.00 0.00 176.91 178.15 1n69 h VAL 11 N 0.52 1.18 -0.41 -5.77 2.07 -1.07 -0.59 116.25 112.18 1n69 h VAL 11 Ca 0.14 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1n69 h VAL 11 Cb 0.06 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1n69 h VAL 11 CO -0.02 0.20 0.17 0.74 0.02 0.00 0.00 177.57 178.68 1n69 h THR 12 N 0.68 0.92 -0.01 2.57 2.02 -0.91 0.25 112.91 118.43 1n69 h THR 12 Ca 0.18 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 1n69 h THR 12 Cb 0.08 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1n69 h THR 12 CO -0.03 0.06 -0.55 0.44 0.37 0.00 0.00 175.52 175.82 1n69 h ASP 13 N 0.35 0.04 -0.23 4.18 3.32 -0.89 -2.02 116.42 121.17 1n69 h ASP 13 Ca 0.18 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1n69 h ASP 13 Cb 0.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1n69 h ASP 13 CO -0.16 0.58 -0.21 0.40 -1.72 0.00 0.00 179.24 178.13 1n69 h ILE 14 N 0.03 1.32 -0.95 0.35 2.04 -0.64 -1.20 117.51 118.46 1n69 h ILE 14 Ca -0.00 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.55 1n69 h ILE 14 Cb 0.99 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 1n69 h ILE 14 CO 0.07 0.42 0.60 1.56 0.00 0.00 0.00 178.15 180.81 1n69 h GLN 15 N 0.25 1.07 -0.63 2.37 4.20 -0.82 0.66 115.11 122.20 1n69 h GLN 15 Ca 0.04 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1n69 h GLN 15 Cb 0.76 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1n69 h GLN 15 CO 0.05 0.71 0.02 1.15 -0.67 0.00 0.00 178.83 180.10 1n69 h THR 16 N 1.10 1.27 -0.37 -0.54 2.02 -1.18 -1.61 112.91 113.59 1n69 h THR 16 Ca 0.41 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1n69 h THR 16 Cb 0.16 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1n69 h THR 16 CO -0.17 0.42 -0.22 0.00 0.37 0.00 0.00 175.52 175.91 1n69 h ALA 17 N 1.00 0.52 -0.77 6.16 0.00 -0.45 -1.11 119.26 124.61 1n69 h ALA 17 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1n69 h ALA 17 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n69 h ALA 17 CO 0.03 0.50 0.40 0.28 0.00 0.00 0.00 179.25 180.45 1n69 h VAL 18 N 0.59 1.24 0.00 0.00 2.07 -0.78 0.55 116.25 119.92 1n69 h VAL 18 Ca 0.08 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1n69 h VAL 18 Cb 0.78 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1n69 h VAL 18 CO 0.06 0.27 -0.46 -0.09 0.02 0.00 0.00 177.57 177.37 1n69 h ARG 19 N 1.09 0.00 0.00 1.57 2.43 -1.20 -3.38 114.38 114.89 1n69 h ARG 19 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1n69 h ARG 19 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1n69 h ARG 19 CO -0.04 0.19 0.00 0.25 -1.51 0.00 0.00 179.97 178.86 1n69 n THR 20 N -3.05 0.00 -3.83 0.20 -2.24 -0.43 -4.90 114.28 100.03 1n69 n THR 20 Ca 0.01 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1n69 n THR 20 Cb 0.63 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.73 1n69 n THR 20 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n69 s ASN 21 N -0.41 4.09 0.00 3.42 3.84 0.19 -4.97 114.94 121.10 1n69 s ASN 21 Ca 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 52.86 50.61 1n69 s ASN 21 Cb 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 41.25 39.43 1n69 s ASN 21 CO 0.00 -0.30 0.96 -1.54 -2.79 0.00 0.00 177.10 173.42 1n69 n SER 22 N 3.79 0.00 -0.02 -4.21 3.41 -1.26 -1.51 113.62 113.82 1n69 n SER 22 Ca 0.05 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1n69 n SER 22 Cb 0.37 -0.46 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 1n69 n SER 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n69 n THR 23 N -1.46 0.21 -0.08 6.66 -1.04 -1.26 -4.75 114.28 112.57 1n69 n THR 23 Ca 0.00 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.44 1n69 n THR 23 Cb 0.03 -0.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 1n69 n THR 23 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1n69 h PHE 24 N 0.00 -0.88 -0.01 -1.42 3.57 -1.57 -1.39 116.94 115.24 1n69 h PHE 24 Ca -0.08 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1n69 h PHE 24 Cb 1.10 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 40.22 1n69 h PHE 24 CO 0.00 -0.25 -0.14 0.28 -2.23 0.00 0.00 178.31 175.97 1n69 h VAL 25 N -0.20 0.65 -0.12 1.41 2.07 -1.86 -1.66 116.25 116.54 1n69 h VAL 25 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1n69 h VAL 25 Cb 0.30 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1n69 h VAL 25 CO -0.31 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 178.76 1n69 h GLN 26 N -0.23 -0.08 -0.69 1.57 4.20 -1.84 0.17 115.11 118.21 1n69 h GLN 26 Ca 0.05 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.81 1n69 h GLN 26 Cb 0.30 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1n69 h GLN 26 CO -0.15 -0.05 0.45 0.00 -0.67 0.00 0.00 178.83 178.41 1n69 h ALA 27 N 1.02 1.67 -0.11 3.87 0.00 -1.11 -0.06 119.26 124.53 1n69 h ALA 27 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1n69 h ALA 27 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n69 h ALA 27 CO -0.18 0.25 -0.30 1.25 0.00 0.00 0.00 179.25 180.27 1n69 h LEU 28 N 0.77 0.46 -0.49 0.00 5.85 -0.57 -2.04 115.31 119.30 1n69 h LEU 28 Ca 0.28 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1n69 h LEU 28 Cb 0.15 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1n69 h LEU 28 CO -0.09 0.97 0.15 0.58 -0.34 0.00 0.00 178.44 179.71 1n69 h VAL 29 N -0.02 1.23 -0.88 1.05 2.07 -0.69 -1.52 116.25 117.49 1n69 h VAL 29 Ca -0.01 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1n69 h VAL 29 Cb 0.92 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1n69 h VAL 29 CO 0.07 0.28 0.49 -0.33 0.02 0.00 0.00 177.57 178.10 1n69 h GLU 30 N 0.66 1.22 -0.46 1.57 5.08 -1.05 -0.31 114.58 121.29 1n69 h GLU 30 Ca 0.16 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1n69 h GLU 30 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1n69 h GLU 30 CO -0.00 0.88 -0.10 1.25 -1.00 0.00 0.00 179.01 180.04 1n69 h HIS 31 N 1.23 0.99 -0.38 4.33 2.76 -1.11 -2.71 115.15 120.26 1n69 h HIS 31 Ca 0.31 -0.21 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 1n69 h HIS 31 Cb 0.01 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1n69 h HIS 31 CO 0.01 0.97 -0.29 0.28 -1.30 0.00 0.00 177.93 177.60 1n69 h VAL 32 N 0.72 1.28 -0.30 5.26 2.07 -0.93 -2.74 116.25 121.60 1n69 h VAL 32 Ca 0.12 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1n69 h VAL 32 Cb 0.64 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1n69 h VAL 32 CO 0.04 0.48 0.11 0.11 0.02 0.00 0.00 177.57 178.33 1n69 h LYS 33 N 0.69 0.42 -0.28 1.57 1.57 -1.01 -1.39 116.57 118.15 1n69 h LYS 33 Ca 0.08 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1n69 h LYS 33 Cb 0.82 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1n69 h LYS 33 CO 0.07 0.36 -0.31 1.49 -0.57 0.00 0.00 179.45 180.50 1n69 h GLU 34 N 0.43 0.58 0.00 3.15 4.81 -1.20 -2.63 114.58 119.72 1n69 h GLU 34 Ca 0.11 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1n69 h GLU 34 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1n69 h GLU 34 CO -0.01 0.82 -0.26 0.93 -0.73 0.00 0.00 179.01 179.76 1n69 h GLU 35 N 0.50 0.00 -0.11 1.92 4.39 -1.01 -2.69 114.58 117.58 1n69 h GLU 35 Ca 0.06 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1n69 h GLU 35 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1n69 h GLU 35 CO 0.06 0.26 0.09 0.00 -1.16 0.00 0.00 179.01 178.26 1n69 h ASP 37 N 0.00 0.00 -0.13 0.00 3.32 -1.56 -0.47 116.42 117.58 1n69 h ASP 37 Ca 0.05 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1n69 h ASP 37 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1n69 h ASP 37 CO -0.00 0.00 0.17 0.03 -1.72 0.00 0.00 179.24 177.72 1n69 h ARG 38 N 0.00 0.00 0.00 3.56 3.08 -1.45 -0.28 114.38 119.29 1n69 h ARG 38 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1n69 h ARG 38 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1n69 h ARG 38 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1n69 n LEU 39 N -3.67 0.00 -0.20 3.04 4.77 -0.19 -5.03 117.00 115.72 1n69 n LEU 39 Ca 0.00 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1n69 n LEU 39 Cb 0.27 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1n69 n LEU 39 CO 0.26 -0.08 -0.06 0.61 -1.33 0.00 0.00 177.39 176.79 1n69 n GLY 40 N 0.90 -1.96 3.60 -0.72 0.00 -0.12 -4.35 105.19 102.54 1n69 n GLY 40 Ca 0.08 -1.45 -0.47 0.00 0.00 0.00 0.00 46.02 44.18 1n69 n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n69 n PRO 41 N -2.59 1.41 0.00 1.61 -0.04 -1.26 -0.96 135.00 133.17 1n69 n PRO 41 Ca -0.00 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1n69 n PRO 41 Cb 0.09 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1n69 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n69 n GLY 42 N 1.85 2.04 0.25 0.55 0.00 -1.26 -4.60 105.19 104.01 1n69 n GLY 42 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1n69 n GLY 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n69 h MET 43 N 0.00 0.27 -0.06 1.61 2.86 -1.79 -3.19 114.93 114.63 1n69 h MET 43 Ca 0.00 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1n69 h MET 43 Cb 0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1n69 h MET 43 CO 0.00 0.38 -0.14 0.00 1.06 0.00 0.00 176.91 178.21 1n69 h ALA 44 N 1.65 -0.11 0.00 6.32 0.00 -1.24 -1.93 119.26 123.94 1n69 h ALA 44 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n69 h ALA 44 Cb 0.34 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1n69 h ALA 44 CO 0.02 -0.61 -0.13 -0.44 0.00 0.00 0.00 179.25 178.09 1n69 h ASP 45 N -0.20 0.00 -0.15 0.00 3.32 -1.81 -1.30 116.42 116.27 1n69 h ASP 45 Ca 0.07 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1n69 h ASP 45 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1n69 h ASP 45 CO -0.18 0.13 -0.45 0.40 -1.72 0.00 0.00 179.24 177.41 1n69 h ILE 46 N 0.00 1.34 -0.97 0.35 2.04 -1.50 -2.35 117.51 116.42 1n69 h ILE 46 Ca -0.00 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.19 1n69 h ILE 46 Cb 0.38 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1n69 h ILE 46 CO 0.02 0.53 0.63 0.00 0.00 0.00 0.00 178.15 179.33 1n69 h LYS 48 N 1.17 0.72 -0.46 0.00 1.57 -1.13 -0.52 116.57 117.92 1n69 h LYS 48 Ca 0.41 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1n69 h LYS 48 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1n69 h LYS 48 CO -0.15 0.70 0.18 -0.91 -0.57 0.00 0.00 179.45 178.70 1n69 h ASN 49 N 0.61 0.65 -0.47 0.86 2.35 -0.79 -1.34 115.58 117.45 1n69 h ASN 49 Ca 0.15 -0.18 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1n69 h ASN 49 Cb 0.29 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1n69 h ASN 49 CO -0.00 0.65 0.09 0.22 -1.65 0.00 0.00 177.43 176.74 1n69 h TYR 50 N 0.61 0.15 -0.69 1.19 3.20 -0.47 0.11 116.97 121.07 1n69 h TYR 50 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1n69 h TYR 50 Cb 0.21 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1n69 h TYR 50 CO 0.01 0.00 0.19 0.82 -1.64 0.00 0.00 178.16 177.53 1n69 h ILE 51 N 0.23 1.26 -0.46 1.81 1.08 -0.87 0.31 117.51 120.86 1n69 h ILE 51 Ca 0.23 -0.92 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1n69 h ILE 51 Cb 0.30 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1n69 h ILE 51 CO -0.30 0.36 0.21 -1.28 -0.69 0.00 0.00 178.15 176.44 1n69 h SER 52 N 1.04 0.61 -0.27 1.72 0.87 -0.27 -1.50 113.55 115.75 1n69 h SER 52 Ca 0.22 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 1n69 h SER 52 Cb 0.33 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1n69 h SER 52 CO -0.00 0.58 -0.35 1.56 -0.53 0.00 0.00 176.83 178.09 1n69 h GLN 53 N 0.60 0.72 -0.67 2.24 1.08 -0.43 -3.17 115.11 115.48 1n69 h GLN 53 Ca 0.16 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.89 1n69 h GLN 53 Cb 0.14 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1n69 h GLN 53 CO -0.02 1.03 0.19 -0.92 -0.95 0.00 0.00 178.83 178.17 1n69 h TYR 54 N 0.46 1.08 -0.73 2.96 3.20 -0.27 -2.90 116.97 120.76 1n69 h TYR 54 Ca 0.03 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1n69 h TYR 54 Cb 0.93 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1n69 h TYR 54 CO 0.08 0.87 0.29 0.66 -1.64 0.00 0.00 178.16 178.41 1n69 h SER 55 N 1.00 1.00 0.10 -2.11 4.64 -1.31 0.15 113.55 117.02 1n69 h SER 55 Ca 0.22 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1n69 h SER 55 Cb 0.31 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1n69 h SER 55 CO -0.01 0.89 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.46 1n69 h GLU 56 N 1.06 -0.13 -0.05 4.77 5.08 -1.49 -0.91 114.58 122.91 1n69 h GLU 56 Ca 0.25 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1n69 h GLU 56 Cb 0.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1n69 h GLU 56 CO -0.02 -0.07 -0.62 0.82 -1.00 0.00 0.00 179.01 178.12 1n69 h ILE 57 N -0.16 1.41 -0.24 3.13 2.04 -1.37 -1.51 117.51 120.80 1n69 h ILE 57 Ca -0.01 -2.05 -0.05 0.00 1.00 0.00 0.00 64.86 63.74 1n69 h ILE 57 Cb 0.13 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1n69 h ILE 57 CO 0.02 0.60 -0.04 0.00 0.00 0.00 0.00 178.15 178.73 1n69 h ALA 58 N 1.23 0.33 -0.16 1.87 0.00 -0.59 0.35 119.26 122.29 1n69 h ALA 58 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1n69 h ALA 58 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n69 h ALA 58 CO 0.09 0.11 -0.16 0.82 0.00 0.00 0.00 179.25 180.11 1n69 h ILE 59 N 0.20 1.20 -0.02 0.00 5.03 -1.13 -0.07 117.51 122.72 1n69 h ILE 59 Ca 0.06 -0.90 -0.02 0.00 -0.12 0.00 0.00 64.86 63.88 1n69 h ILE 59 Cb 0.49 1.26 0.00 0.00 -3.03 0.00 0.00 36.82 35.55 1n69 h ILE 59 CO 0.02 0.28 -0.05 -0.61 -0.68 0.00 0.00 178.15 177.11 1n69 h GLN 60 N 0.25 0.07 0.00 2.37 4.15 -0.87 -1.04 115.11 120.04 1n69 h GLN 60 Ca 0.05 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1n69 h GLN 60 Cb 0.44 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1n69 h GLN 60 CO 0.03 0.66 -0.18 0.00 -1.93 0.00 0.00 178.83 177.41 1n69 h MET 61 N -0.50 0.00 0.00 1.69 -0.00 -0.18 -2.76 114.93 113.17 1n69 h MET 61 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 1n69 h MET 61 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.23 1n69 h MET 61 CO 0.01 0.18 -1.08 1.98 -0.00 0.00 0.00 176.91 178.00 1n69 h MET 62 N 0.00 0.00 -0.00 -0.10 1.85 -1.02 0.05 114.93 115.70 1n69 h MET 62 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1n69 h MET 62 Cb 0.78 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.81 1n69 h MET 62 CO 0.02 0.63 -0.06 -0.12 -0.40 0.00 0.00 176.91 176.99 1n69 n MET 63 N -3.17 0.87 0.00 0.39 0.00 -0.40 -3.92 117.12 110.90 1n69 n MET 63 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.40 1n69 n MET 63 Cb 0.89 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.61 1n69 n MET 63 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1n69 n HIS 64 N -0.85 0.00 -4.17 1.12 -0.00 -1.06 -5.06 115.22 105.20 1n69 n HIS 64 Ca 0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.66 1n69 n HIS 64 Cb 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.16 1n69 n HIS 64 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1n69 s MET 65 N -1.43 2.30 0.22 1.57 -1.94 -0.00 -5.08 119.30 114.94 1n69 s MET 65 Ca 0.00 -1.59 -0.14 0.00 -1.71 0.00 0.00 55.69 52.26 1n69 s MET 65 Cb 0.00 -2.12 -0.08 0.00 2.01 0.00 0.00 34.83 34.65 1n69 s MET 65 CO 0.00 0.13 0.62 -0.65 -0.01 0.00 0.00 175.02 175.11 1n69 s GLN 66 N -3.80 3.97 0.29 2.03 -1.52 -1.26 -4.80 119.66 114.56 1n69 s GLN 66 Ca 0.37 0.52 0.03 0.00 -1.95 0.00 0.00 55.36 54.33 1n69 s GLN 66 Cb -0.02 -2.73 0.68 0.00 -0.22 0.00 0.00 33.01 30.72 1n69 s GLN 66 CO 0.22 0.35 1.74 -1.00 -0.25 0.00 0.00 175.29 176.34 1n69 h PRO 67 N 2.95 0.56 -0.83 2.91 0.13 -1.93 -0.91 132.00 134.87 1n69 h PRO 67 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1n69 h PRO 67 Cb 1.18 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1n69 h PRO 67 CO 0.67 0.37 0.46 -0.22 -0.23 0.00 0.00 178.00 179.05 1n69 h LYS 68 N 0.58 1.15 -0.42 0.86 3.64 -1.94 -0.17 116.57 120.27 1n69 h LYS 68 Ca 0.54 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1n69 h LYS 68 Cb 0.91 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1n69 h LYS 68 CO -0.43 0.83 -0.33 0.93 -2.27 0.00 0.00 179.45 178.18 1n69 h GLU 69 N 1.16 0.96 -0.65 1.90 3.07 -1.61 -0.41 114.58 119.00 1n69 h GLU 69 Ca 0.29 -0.48 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 1n69 h GLU 69 Cb 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1n69 h GLU 69 CO -0.05 1.14 0.32 0.82 -1.40 0.00 0.00 179.01 179.84 1n69 h ILE 70 N 0.80 1.22 -0.44 3.13 2.04 -0.90 -1.95 117.51 121.41 1n69 h ILE 70 Ca 0.08 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 1n69 h ILE 70 Cb 0.93 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1n69 h ILE 70 CO 0.09 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.37 1n69 h ALA 72 N 1.15 1.45 -0.50 0.00 0.00 -0.76 -1.64 119.26 118.97 1n69 h ALA 72 Ca 0.12 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1n69 h ALA 72 Cb 0.60 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1n69 h ALA 72 CO 0.04 0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.89 1n69 h LEU 73 N 0.35 -0.29 -2.39 0.00 7.12 -0.89 -1.68 115.31 117.52 1n69 h LEU 73 Ca 0.07 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1n69 h LEU 73 Cb 0.35 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1n69 h LEU 73 CO 0.02 -0.10 0.00 1.33 -0.13 0.00 0.00 178.44 179.55 1n69 n VAL 74 N -5.27 1.39 -1.21 1.05 0.24 -1.00 -4.94 118.33 108.58 1n69 n VAL 74 Ca 0.05 -0.85 -0.07 0.00 -2.04 0.00 0.00 64.34 61.44 1n69 n VAL 74 Cb 0.27 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 1n69 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n69 n GLY 75 N 0.82 0.86 0.07 7.63 0.00 -0.63 -4.92 105.19 109.02 1n69 n GLY 75 Ca 0.18 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1n69 n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n69 n PHE 76 N -2.84 0.59 -4.30 1.61 0.99 -0.65 -4.91 117.46 107.95 1n69 n PHE 76 Ca -0.07 0.17 -0.22 0.00 -0.00 0.00 0.00 57.45 57.34 1n69 n PHE 76 Cb 0.22 -0.77 -0.12 0.00 -1.00 0.00 0.00 39.48 37.82 1n69 n PHE 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76