#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 0.67 -0.71 1.61 3.32 -1.99 -2.68 116.42 116.63 1n69 h ASP 2 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.77 1n69 h ASP 2 Cb 0.00 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1n69 h ASP 2 CO 0.00 0.82 0.44 0.58 -1.72 0.00 0.00 179.24 179.36 1n69 h VAL 3 N 0.50 1.09 0.05 -1.35 2.07 -1.98 0.31 116.25 116.94 1n69 h VAL 3 Ca 0.11 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1n69 h VAL 3 Cb 0.48 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1n69 h VAL 3 CO 0.02 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.74 1n69 h GLN 5 N -0.24 1.20 -0.78 0.00 1.08 -1.20 -0.78 115.11 114.40 1n69 h GLN 5 Ca -0.01 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1n69 h GLN 5 Cb 0.22 -0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1n69 h GLN 5 CO 0.01 0.86 0.48 -0.44 -0.95 0.00 0.00 178.83 178.80 1n69 h ASP 6 N 1.21 0.77 -0.41 1.46 3.32 -0.19 -1.01 116.42 121.58 1n69 h ASP 6 Ca 0.31 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 1n69 h ASP 6 Cb -0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1n69 h ASP 6 CO -0.05 0.52 -0.01 0.00 -1.72 0.00 0.00 179.24 177.97 1n69 h ILE 8 N 0.55 1.06 -0.28 0.00 2.04 -0.71 0.78 117.51 120.95 1n69 h ILE 8 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1n69 h ILE 8 Cb 0.50 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1n69 h ILE 8 CO 0.02 0.08 0.12 -0.61 0.00 0.00 0.00 178.15 177.77 1n69 h GLN 9 N 0.43 0.41 -0.15 2.37 5.75 -1.08 0.13 115.11 122.97 1n69 h GLN 9 Ca 0.13 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1n69 h GLN 9 Cb -0.02 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1n69 h GLN 9 CO -0.05 0.41 0.09 1.98 -2.65 0.00 0.00 178.83 178.61 1n69 h MET 10 N 0.31 0.21 -0.49 1.69 4.05 -0.71 -1.32 114.93 118.68 1n69 h MET 10 Ca 0.09 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1n69 h MET 10 Cb 0.15 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1n69 h MET 10 CO -0.01 0.22 0.12 0.28 0.23 0.00 0.00 176.91 177.75 1n69 h VAL 11 N 0.15 1.21 -0.53 -5.77 2.07 -0.77 -0.21 116.25 112.41 1n69 h VAL 11 Ca 0.05 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1n69 h VAL 11 Cb 0.06 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1n69 h VAL 11 CO -0.01 0.28 0.31 0.74 0.02 0.00 0.00 177.57 178.91 1n69 h THR 12 N 0.72 1.17 0.00 2.57 2.02 -0.64 -1.19 112.91 117.55 1n69 h THR 12 Ca 0.16 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1n69 h THR 12 Cb 0.26 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1n69 h THR 12 CO -0.00 0.17 -0.43 0.44 0.37 0.00 0.00 175.52 176.07 1n69 h ASP 13 N 0.71 0.00 -0.28 4.18 3.32 -0.69 -2.61 116.42 121.05 1n69 h ASP 13 Ca 0.19 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 1n69 h ASP 13 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1n69 h ASP 13 CO -0.03 0.43 -0.42 0.40 -1.72 0.00 0.00 179.24 177.90 1n69 h ILE 14 N 0.00 1.29 -0.60 0.35 2.04 -0.62 -1.79 117.51 118.19 1n69 h ILE 14 Ca -0.00 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1n69 h ILE 14 Cb 0.93 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1n69 h ILE 14 CO 0.06 0.52 0.22 1.56 0.00 0.00 0.00 178.15 180.51 1n69 h GLN 15 N 0.53 0.88 -0.23 2.37 4.20 -1.08 -0.31 115.11 121.47 1n69 h GLN 15 Ca 0.03 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1n69 h GLN 15 Cb 1.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1n69 h GLN 15 CO 0.10 0.73 0.08 1.15 -0.67 0.00 0.00 178.83 180.22 1n69 h THR 16 N 0.86 1.18 -0.70 -0.54 2.02 -1.34 -1.49 112.91 112.90 1n69 h THR 16 Ca 0.20 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1n69 h THR 16 Cb 0.19 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1n69 h THR 16 CO -0.02 0.18 0.32 0.00 0.37 0.00 0.00 175.52 176.38 1n69 h ALA 17 N 0.91 0.91 -0.66 6.16 0.00 -0.81 -1.01 119.26 124.76 1n69 h ALA 17 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1n69 h ALA 17 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n69 h ALA 17 CO -0.00 0.49 0.23 0.28 0.00 0.00 0.00 179.25 180.24 1n69 h VAL 18 N 0.99 1.25 0.00 0.00 2.07 -0.97 0.22 116.25 119.81 1n69 h VAL 18 Ca 0.24 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1n69 h VAL 18 Cb 0.15 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1n69 h VAL 18 CO -0.03 0.32 -0.50 0.03 0.02 0.00 0.00 177.57 177.41 1n69 h ARG 19 N 0.95 0.00 0.00 1.57 3.08 -0.99 -3.37 114.38 115.61 1n69 h ARG 19 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n69 h ARG 19 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1n69 h ARG 19 CO -0.01 0.50 -0.15 0.25 -1.07 0.00 0.00 179.97 179.50 1n69 n THR 20 N -3.53 0.00 -4.00 2.04 -2.24 -0.41 -4.95 114.28 101.19 1n69 n THR 20 Ca -0.00 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1n69 n THR 20 Cb 0.60 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.27 4.40 0.00 3.42 3.84 0.77 -4.96 114.94 121.14 1n69 s ASN 21 Ca 0.01 -1.63 0.12 0.00 0.21 0.00 0.00 52.86 51.57 1n69 s ASN 21 Cb 0.02 -1.45 0.53 0.00 -0.55 0.00 0.00 41.25 39.80 1n69 s ASN 21 CO 0.11 -0.28 1.35 -1.54 -2.79 0.00 0.00 177.10 173.95 1n69 n SER 22 N 4.45 0.00 -0.03 -4.21 3.41 -1.26 -2.68 113.62 113.30 1n69 n SER 22 Ca -0.07 0.38 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1n69 n SER 22 Cb 0.42 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.44 0.69 0.05 6.66 -1.04 -1.26 -4.67 114.28 113.28 1n69 n THR 23 Ca 0.04 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.05 61.27 1n69 n THR 23 Cb 0.12 -0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 68.30 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 -0.87 0.06 -1.42 3.57 -1.80 -2.43 116.94 114.04 1n69 h PHE 24 Ca -0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1n69 h PHE 24 Cb 1.54 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1n69 h PHE 24 CO 0.00 -0.41 -0.03 0.28 -2.23 0.00 0.00 178.31 175.92 1n69 h VAL 25 N -0.46 1.09 -0.37 1.41 2.07 -1.83 -2.31 116.25 115.84 1n69 h VAL 25 Ca 0.07 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1n69 h VAL 25 Cb 0.55 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1n69 h VAL 25 CO -0.28 0.12 0.05 1.56 0.02 0.00 0.00 177.57 179.05 1n69 h GLN 26 N -0.29 0.16 -0.94 1.57 4.20 -1.83 -0.11 115.11 117.87 1n69 h GLN 26 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1n69 h GLN 26 Cb 0.26 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1n69 h GLN 26 CO 0.01 0.11 0.62 0.00 -0.67 0.00 0.00 178.83 178.90 1n69 h ALA 27 N 1.30 1.19 0.07 3.87 0.00 -1.44 -1.17 119.26 123.07 1n69 h ALA 27 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n69 h ALA 27 Cb 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1n69 h ALA 27 CO -0.26 0.58 -0.03 1.25 0.00 0.00 0.00 179.25 180.79 1n69 h LEU 28 N 1.27 -0.08 -0.30 0.00 7.12 -0.82 -2.02 115.31 120.47 1n69 h LEU 28 Ca 0.34 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1n69 h LEU 28 Cb -0.15 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 39.99 1n69 h LEU 28 CO -0.07 0.30 0.20 0.58 -0.13 0.00 0.00 178.44 179.32 1n69 h VAL 29 N -0.46 1.08 -0.63 1.05 2.07 -0.93 -1.91 116.25 116.51 1n69 h VAL 29 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1n69 h VAL 29 Cb 0.40 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1n69 h VAL 29 CO 0.02 0.07 0.31 -0.33 0.02 0.00 0.00 177.57 177.66 1n69 h GLU 30 N 0.41 0.90 -0.17 1.57 5.08 -1.26 -0.11 114.58 120.99 1n69 h GLU 30 Ca 0.11 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1n69 h GLU 30 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1n69 h GLU 30 CO -0.02 0.69 0.10 1.25 -1.00 0.00 0.00 179.01 180.03 1n69 h HIS 31 N 0.89 0.24 -0.65 4.33 2.76 -0.92 -2.35 115.15 119.44 1n69 h HIS 31 Ca 0.22 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1n69 h HIS 31 Cb 0.09 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1n69 h HIS 31 CO 0.01 0.21 0.07 0.28 -1.30 0.00 0.00 177.93 177.20 1n69 h VAL 32 N 0.19 1.26 -0.06 5.26 2.07 -0.98 -2.50 116.25 121.49 1n69 h VAL 32 Ca 0.06 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1n69 h VAL 32 Cb 0.05 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1n69 h VAL 32 CO -0.01 0.40 0.04 0.11 0.02 0.00 0.00 177.57 178.14 1n69 h LYS 33 N 1.02 0.07 -0.78 1.57 1.57 -0.83 0.48 116.57 119.68 1n69 h LYS 33 Ca 0.19 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1n69 h LYS 33 Cb 0.48 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1n69 h LYS 33 CO 0.02 0.05 0.51 0.93 -0.57 0.00 0.00 179.45 180.39 1n69 h GLU 34 N 0.07 1.01 -0.42 3.15 4.39 -0.96 -1.53 114.58 120.29 1n69 h GLU 34 Ca 0.02 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1n69 h GLU 34 Cb 0.01 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1n69 h GLU 34 CO -0.00 0.67 0.29 0.93 -1.16 0.00 0.00 179.01 179.73 1n69 h GLU 35 N 1.04 0.19 -0.52 2.33 4.39 -0.86 -2.17 114.58 118.97 1n69 h GLU 35 Ca 0.29 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.07 1n69 h GLU 35 Cb -0.10 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 1n69 h GLU 35 CO -0.07 0.12 0.11 0.00 -1.16 0.00 0.00 179.01 178.01 1n69 n ASP 37 N -5.11 0.24 0.00 0.00 9.92 -0.82 -0.71 116.55 120.08 1n69 n ASP 37 Ca 0.06 1.41 0.00 0.00 -0.53 0.00 0.00 54.79 55.73 1n69 n ASP 37 Cb 0.26 -0.69 0.01 0.00 -0.64 0.00 0.00 41.12 40.05 1n69 n ASP 37 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1n69 n ARG 38 N -4.79 0.01 -0.38 -1.24 1.85 -0.92 -1.96 116.66 109.23 1n69 n ARG 38 Ca 0.38 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.30 1n69 n ARG 38 Cb 1.43 -1.42 0.20 0.00 -1.05 0.00 0.00 32.46 31.62 1n69 n ARG 38 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1n69 n LEU 39 N -0.92 3.18 0.00 2.89 -0.00 0.11 -5.10 117.00 117.17 1n69 n LEU 39 Ca 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 56.01 52.72 1n69 n LEU 39 Cb 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1n69 n LEU 39 CO 0.00 0.88 0.00 0.61 -0.00 0.00 0.00 177.39 178.88 1n69 n GLY 40 N -1.05 -2.76 3.43 1.47 0.00 -0.83 -4.49 105.19 100.96 1n69 n GLY 40 Ca 0.21 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1n69 n GLY 40 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n69 n PRO 41 N -1.26 -1.78 0.00 1.61 -0.02 -1.26 -1.09 135.00 131.20 1n69 n PRO 41 Ca 0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1n69 n PRO 41 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1n69 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n69 n GLY 42 N 1.29 1.12 0.09 -1.23 0.00 -1.26 -4.13 105.19 101.07 1n69 n GLY 42 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1n69 n GLY 42 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1n69 h MET 43 N 0.00 0.13 -0.05 1.61 -1.53 -1.84 -3.33 114.93 109.91 1n69 h MET 43 Ca 0.00 -0.22 -0.09 0.00 -3.44 0.00 0.00 59.70 55.95 1n69 h MET 43 Cb 0.00 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 1n69 h MET 43 CO 0.00 0.93 -0.39 0.00 0.14 0.00 0.00 176.91 177.59 1n69 h ALA 44 N 0.71 1.26 -0.40 0.39 0.00 -1.26 -2.54 119.26 117.43 1n69 h ALA 44 Ca -0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1n69 h ALA 44 Cb 1.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1n69 h ALA 44 CO 0.13 0.53 -0.18 -0.44 0.00 0.00 0.00 179.25 179.28 1n69 h ASP 45 N 0.09 0.76 0.27 0.00 3.32 -1.83 -1.43 116.42 117.60 1n69 h ASP 45 Ca 0.01 -0.25 -0.21 0.00 0.02 0.00 0.00 57.03 56.60 1n69 h ASP 45 Cb 0.73 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1n69 h ASP 45 CO 0.05 0.94 -0.84 -0.29 -1.72 0.00 0.00 179.24 177.38 1n69 h ILE 46 N 0.67 1.38 -0.23 0.35 6.09 -1.65 -2.54 117.51 121.58 1n69 h ILE 46 Ca 0.10 -2.29 0.04 0.00 -1.37 0.00 0.00 64.86 61.33 1n69 h ILE 46 Cb 0.68 2.26 -0.03 0.00 0.47 0.00 0.00 36.82 40.20 1n69 h ILE 46 CO 0.05 0.69 0.01 0.00 -3.07 0.00 0.00 178.15 175.83 1n69 h LYS 48 N 0.09 1.26 -0.61 0.00 1.57 -1.23 -0.56 116.57 117.09 1n69 h LYS 48 Ca 0.11 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1n69 h LYS 48 Cb 0.13 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1n69 h LYS 48 CO -0.17 0.83 0.26 -0.91 -0.57 0.00 0.00 179.45 178.89 1n69 h ASN 49 N 1.30 0.82 -0.22 0.86 2.35 -0.81 -0.66 115.58 119.22 1n69 h ASN 49 Ca 0.38 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1n69 h ASN 49 Cb -0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1n69 h ASN 49 CO -0.10 0.76 0.14 1.88 -1.65 0.00 0.00 177.43 178.45 1n69 h TYR 50 N 0.84 0.29 -0.94 1.19 -1.99 0.08 -0.06 116.97 116.38 1n69 h TYR 50 Ca 0.20 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.95 1n69 h TYR 50 Cb 0.18 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 1n69 h TYR 50 CO 0.01 0.21 0.62 0.82 -0.00 0.00 0.00 178.16 179.82 1n69 h ILE 51 N 0.29 1.23 -0.29 -2.88 2.04 -0.84 0.14 117.51 117.20 1n69 h ILE 51 Ca 0.08 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1n69 h ILE 51 Cb -0.00 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 35.93 1n69 h ILE 51 CO -0.02 0.23 -0.34 -1.28 0.00 0.00 0.00 178.15 176.74 1n69 h SER 52 N 1.27 0.81 -0.13 1.72 0.87 -0.83 -1.80 113.55 115.45 1n69 h SER 52 Ca 0.35 -0.49 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1n69 h SER 52 Cb -0.13 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.61 1n69 h SER 52 CO -0.08 1.13 -0.25 1.56 -0.53 0.00 0.00 176.83 178.66 1n69 h GLN 53 N 0.50 0.40 0.00 2.24 4.20 -0.71 -3.09 115.11 118.65 1n69 h GLN 53 Ca 0.04 -0.26 -0.17 0.00 0.06 0.00 0.00 58.65 58.32 1n69 h GLN 53 Cb 0.93 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1n69 h GLN 53 CO 0.08 0.85 -0.81 1.88 -0.67 0.00 0.00 178.83 180.17 1n69 h TYR 54 N -0.01 0.00 -0.41 2.96 -1.99 -0.81 -3.05 116.97 113.66 1n69 h TYR 54 Ca 0.01 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1n69 h TYR 54 Cb 0.84 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 1n69 h TYR 54 CO 0.10 0.81 -0.34 0.66 -0.00 0.00 0.00 178.16 179.40 1n69 h SER 55 N 0.00 0.99 -0.28 3.88 4.64 -1.42 -1.07 113.55 120.29 1n69 h SER 55 Ca -0.01 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1n69 h SER 55 Cb 1.45 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1n69 h SER 55 CO 0.11 1.23 0.14 -0.08 -0.87 0.00 0.00 176.83 177.35 1n69 h GLU 56 N 0.78 0.40 -0.35 4.77 4.81 -1.58 -0.72 114.58 122.69 1n69 h GLU 56 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1n69 h GLU 56 Cb 0.92 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1n69 h GLU 56 CO 0.09 0.37 0.14 0.82 -0.73 0.00 0.00 179.01 179.71 1n69 h ILE 57 N 0.32 1.18 -0.34 2.32 2.04 -1.46 -2.05 117.51 119.53 1n69 h ILE 57 Ca 0.10 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1n69 h ILE 57 Cb 0.10 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1n69 h ILE 57 CO -0.01 0.20 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1n69 h ALA 58 N 0.99 0.44 -0.64 1.87 0.00 -1.09 -2.51 119.26 118.33 1n69 h ALA 58 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1n69 h ALA 58 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1n69 h ALA 58 CO -0.01 0.11 0.11 0.82 0.00 0.00 0.00 179.25 180.28 1n69 h ILE 59 N 0.39 1.26 -0.43 0.00 2.04 -1.10 -0.32 117.51 119.35 1n69 h ILE 59 Ca 0.11 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1n69 h ILE 59 Cb 0.30 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1n69 h ILE 59 CO 0.00 0.37 0.25 1.56 0.00 0.00 0.00 178.15 180.34 1n69 h GLN 60 N 0.99 0.58 -0.47 2.37 4.20 -1.29 -2.90 115.11 118.59 1n69 h GLN 60 Ca 0.20 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 1n69 h GLN 60 Cb 0.41 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1n69 h GLN 60 CO 0.01 0.44 -0.20 0.52 -0.67 0.00 0.00 178.83 178.93 1n69 h MET 61 N 0.56 0.96 -0.23 1.46 2.86 -1.23 -3.17 114.93 116.14 1n69 h MET 61 Ca 0.15 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1n69 h MET 61 Cb 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1n69 h MET 61 CO -0.03 1.08 0.17 0.52 1.06 0.00 0.00 176.91 179.71 1n69 h MET 62 N 0.81 0.00 0.00 1.72 2.86 -0.88 -0.99 114.93 118.45 1n69 h MET 62 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1n69 h MET 62 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1n69 h MET 62 CO 0.06 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.70 1n69 n MET 63 N -4.38 0.57 -0.03 1.72 2.81 -1.11 -2.39 117.12 114.31 1n69 n MET 63 Ca 0.02 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.95 1n69 n MET 63 Cb 0.32 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1n69 n MET 63 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1n69 n HIS 64 N -1.00 0.00 -4.28 2.03 8.25 -0.38 -5.03 115.22 114.81 1n69 n HIS 64 Ca 0.14 -0.67 -0.23 0.00 -0.26 0.00 0.00 57.72 56.70 1n69 n HIS 64 Cb 0.06 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 30.97 1n69 n HIS 64 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n69 s MET 65 N -1.68 1.12 0.41 -0.41 -1.94 -1.00 -5.13 119.30 110.67 1n69 s MET 65 Ca 0.12 -1.20 -0.24 0.00 -1.71 0.00 0.00 55.69 52.66 1n69 s MET 65 Cb 0.11 -1.29 -0.09 0.00 2.01 0.00 0.00 34.83 35.57 1n69 s MET 65 CO 0.01 0.29 1.10 -0.65 -0.01 0.00 0.00 175.02 175.76 1n69 s GLN 66 N -2.13 4.08 0.26 2.03 -0.21 -1.26 -4.90 119.66 117.52 1n69 s GLN 66 Ca 0.08 1.65 -0.02 0.00 0.02 0.00 0.00 55.36 57.09 1n69 s GLN 66 Cb -0.09 -2.57 0.52 0.00 1.00 0.00 0.00 33.01 31.87 1n69 s GLN 66 CO 0.04 -0.25 1.74 -1.35 -2.12 0.00 0.00 175.29 173.35 1n69 h PRO 67 N 2.49 0.49 -0.80 2.91 0.11 -1.93 -1.03 132.00 134.25 1n69 h PRO 67 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1n69 h PRO 67 Cb 1.23 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1n69 h PRO 67 CO 0.62 0.32 0.50 -0.22 -0.21 0.00 0.00 178.00 179.01 1n69 h LYS 68 N 0.50 0.91 -0.23 1.05 3.64 -1.92 -0.78 116.57 119.76 1n69 h LYS 68 Ca 0.45 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1n69 h LYS 68 Cb 0.70 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1n69 h LYS 68 CO -0.41 0.60 -0.25 0.93 -2.27 0.00 0.00 179.45 178.06 1n69 h GLU 69 N 0.94 0.43 -0.45 1.90 4.39 -1.59 0.06 114.58 120.25 1n69 h GLU 69 Ca 0.33 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1n69 h GLU 69 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1n69 h GLU 69 CO -0.14 0.65 -0.17 0.82 -1.16 0.00 0.00 179.01 179.00 1n69 h ILE 70 N 0.38 1.27 -0.15 3.13 2.04 -0.62 -1.46 117.51 122.11 1n69 h ILE 70 Ca 0.06 -1.32 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 1n69 h ILE 70 Cb 0.64 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1n69 h ILE 70 CO 0.05 0.45 -0.41 0.00 0.00 0.00 0.00 178.15 178.23 1n69 h ALA 72 N 1.28 0.89 -0.20 0.00 0.00 -0.90 0.99 119.26 121.31 1n69 h ALA 72 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1n69 h ALA 72 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1n69 h ALA 72 CO 0.07 0.68 -0.08 1.25 0.00 0.00 0.00 179.25 181.17 1n69 h LEU 73 N 0.00 0.42 -0.87 0.00 5.85 -0.83 -2.97 115.31 116.92 1n69 h LEU 73 Ca -0.01 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1n69 h LEU 73 Cb 1.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1n69 h LEU 73 CO 0.07 0.72 -0.28 0.58 -0.34 0.00 0.00 178.44 179.19 1n69 h VAL 74 N 0.12 0.62 0.00 1.05 2.07 -1.33 -3.47 116.25 115.32 1n69 h VAL 74 Ca 0.05 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1n69 h VAL 74 Cb 0.55 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1n69 h VAL 74 CO 0.03 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1n69 n GLY 75 N 0.37 0.91 0.15 2.17 0.00 -0.38 -4.99 105.19 103.42 1n69 n GLY 75 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1n69 n GLY 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n69 h PHE 76 N 0.00 0.00 -2.98 1.61 0.05 -1.14 -3.47 116.94 111.02 1n69 h PHE 76 Ca 0.00 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 61.35 1n69 h PHE 76 Cb 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 35.95 37.80 1n69 h PHE 76 CO 0.00 0.00 -0.73 0.00 -0.18 0.00 0.00 178.31 177.40