#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd7 h ARG 8 N 0.00 0.00 -0.70 3.17 3.08 -2.05 -2.63 114.38 115.25 3hd7 h ARG 8 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hd7 h ARG 8 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hd7 h ARG 8 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3hd7 n ASN 9 N -2.90 0.70 0.00 7.04 3.02 -1.26 -4.78 115.26 117.09 3hd7 n ASN 9 Ca 0.04 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 3hd7 n ASN 9 Cb 0.52 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3hd7 n ASN 9 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hd7 n GLU 10 N 0.12 0.00 0.09 3.52 1.02 -0.99 0.25 120.64 124.65 3hd7 n GLU 10 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3hd7 n GLU 10 Cb 0.18 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.63 3hd7 n GLU 10 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hd7 h LEU 11 N 0.00 0.24 -0.64 -4.62 3.38 -1.90 -2.51 115.31 109.27 3hd7 h LEU 11 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3hd7 h LEU 11 Cb 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hd7 h LEU 11 CO 0.00 0.93 0.30 -0.08 0.09 0.00 0.00 178.44 179.69 3hd7 h GLU 12 N 0.12 0.92 0.00 1.13 4.81 0.30 0.56 114.58 122.42 3hd7 h GLU 12 Ca -0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3hd7 h GLU 12 Cb 1.38 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3hd7 h GLU 12 CO 0.12 0.74 -0.03 -1.91 -0.73 0.00 0.00 179.01 177.20 3hd7 n GLU 13 N -4.49 0.01 -0.01 1.92 2.13 -1.04 -0.34 120.64 118.83 3hd7 n GLU 13 Ca 0.04 0.01 -0.01 0.00 0.66 0.00 0.00 57.16 57.87 3hd7 n GLU 13 Cb 0.13 -1.51 -0.12 0.00 0.27 0.00 0.00 31.44 30.20 3hd7 n GLU 13 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3hd7 n MET 14 N -1.54 0.65 0.00 5.31 1.56 -0.82 -3.78 117.12 118.50 3hd7 n MET 14 Ca 0.07 0.08 0.10 0.00 -0.27 0.00 0.00 57.70 57.68 3hd7 n MET 14 Cb 0.34 -1.68 0.07 0.00 2.15 0.00 0.00 33.22 34.10 3hd7 n MET 14 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3hd7 n GLN 15 N -2.74 1.79 0.00 2.12 6.02 0.19 -3.66 117.38 121.12 3hd7 n GLN 15 Ca -0.15 -1.55 -0.21 0.00 -0.01 0.00 0.00 57.00 55.08 3hd7 n GLN 15 Cb 0.88 -1.40 -0.14 0.00 1.02 0.00 0.00 30.24 30.60 3hd7 n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hd7 h ARG 16 N 3.65 0.23 0.00 -1.09 3.08 -0.84 -3.24 114.38 116.16 3hd7 h ARG 16 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3hd7 h ARG 16 Cb 0.82 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3hd7 h ARG 16 CO 0.00 1.19 0.00 0.54 -1.07 0.00 0.00 179.97 180.63 3hd7 n ARG 17 N -4.01 0.77 -0.12 0.04 5.12 -1.25 -2.15 116.66 115.05 3hd7 n ARG 17 Ca -0.23 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.51 3hd7 n ARG 17 Cb 0.86 -1.32 -0.12 0.00 -1.16 0.00 0.00 32.46 30.72 3hd7 n ARG 17 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hd7 n ALA 18 N -0.82 1.40 0.48 7.54 0.00 -1.24 -3.69 120.51 124.19 3hd7 n ALA 18 Ca 0.12 -1.08 0.12 0.00 0.00 0.00 0.00 53.44 52.59 3hd7 n ALA 18 Cb 0.05 -0.14 0.46 0.00 0.00 0.00 0.00 19.45 19.82 3hd7 n ALA 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hd7 n ASP 19 N -3.25 0.62 0.14 0.00 2.03 -1.05 -2.34 116.55 112.69 3hd7 n ASP 19 Ca -0.44 0.62 -0.07 0.00 0.52 0.00 0.00 54.79 55.42 3hd7 n ASP 19 Cb 1.00 -0.76 -0.04 0.00 -0.72 0.00 0.00 41.12 40.60 3hd7 n ASP 19 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3hd7 h GLN 20 N 0.00 -0.41 -0.21 -0.67 4.15 -1.59 -3.11 115.11 113.27 3hd7 h GLN 20 Ca 0.00 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.51 3hd7 h GLN 20 Cb 0.45 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3hd7 h GLN 20 CO 0.00 -0.25 0.40 -0.07 -1.93 0.00 0.00 178.83 176.98 3hd7 h LEU 21 N -1.10 0.00 0.59 -2.39 3.38 -1.62 -1.65 115.31 112.52 3hd7 h LEU 21 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3hd7 h LEU 21 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hd7 h LEU 21 CO 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.32 3hd7 h ALA 22 N 1.40 -0.79 -0.20 1.53 0.00 -1.40 -2.43 119.26 117.36 3hd7 h ALA 22 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hd7 h ALA 22 Cb 0.89 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hd7 h ALA 22 CO -0.00 -0.92 -0.10 -0.44 0.00 0.00 0.00 179.25 177.79 3hd7 h ASP 23 N -0.84 0.43 -0.82 0.00 3.32 -1.29 -3.00 116.42 114.24 3hd7 h ASP 23 Ca -0.08 -0.41 0.18 0.00 0.02 0.00 0.00 57.03 56.74 3hd7 h ASP 23 Cb 0.62 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 3hd7 h ASP 23 CO 0.13 0.75 0.55 -0.33 -1.72 0.00 0.00 179.24 178.62 3hd7 h GLU 24 N 0.12 0.37 0.04 3.56 5.08 -1.42 0.37 114.58 122.69 3hd7 h GLU 24 Ca 0.04 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3hd7 h GLU 24 Cb 0.59 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hd7 h GLU 24 CO 0.03 0.24 -0.81 0.77 -1.00 0.00 0.00 179.01 178.24 3hd7 h SER 25 N 0.38 0.65 1.02 1.42 0.02 -1.41 -2.10 113.55 113.52 3hd7 h SER 25 Ca 0.41 -0.79 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3hd7 h SER 25 Cb 1.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3hd7 h SER 25 CO -0.13 1.36 -0.01 0.25 -1.14 0.00 0.00 176.83 177.16 3hd7 h LEU 26 N 0.01 0.00 0.01 5.07 6.46 -1.06 -0.82 115.31 124.97 3hd7 h LEU 26 Ca -0.11 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3hd7 h LEU 26 Cb 1.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 3hd7 h LEU 26 CO 0.16 0.01 -0.17 -0.08 -0.62 0.00 0.00 178.44 177.73 3hd7 h GLU 27 N 0.00 0.10 0.00 1.25 4.57 -0.30 -2.56 114.58 117.64 3hd7 h GLU 27 Ca -0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3hd7 h GLU 27 Cb 0.52 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3hd7 h GLU 27 CO 0.00 0.92 0.00 -1.13 -1.18 0.00 0.00 179.01 177.62 3hd7 n SER 28 N -4.56 0.00 0.03 1.04 3.41 -0.79 -1.15 113.62 111.60 3hd7 n SER 28 Ca -0.10 0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 58.86 3hd7 n SER 28 Cb 0.49 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3hd7 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hd7 h THR 29 N 0.00 1.06 -0.23 6.66 1.03 -1.15 -2.02 112.91 118.26 3hd7 h THR 29 Ca 0.00 -2.80 -0.02 0.00 -0.01 0.00 0.00 66.41 63.58 3hd7 h THR 29 Cb 0.25 2.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 3hd7 h THR 29 CO 0.00 0.73 0.05 0.03 -0.01 0.00 0.00 175.52 176.32 3hd7 h ARG 30 N 0.03 0.37 0.08 0.00 3.08 -0.84 -2.35 114.38 114.76 3hd7 h ARG 30 Ca -0.25 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hd7 h ARG 30 Cb 1.98 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.99 3hd7 h ARG 30 CO 0.12 0.50 -0.04 0.00 -1.07 0.00 0.00 179.97 179.48 3hd7 h ARG 31 N 0.19 -0.11 -0.54 0.04 3.08 -1.22 -2.67 114.38 113.16 3hd7 h ARG 31 Ca 0.07 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.22 3hd7 h ARG 31 Cb 0.30 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.27 3hd7 h ARG 31 CO 0.00 -0.01 -0.40 0.52 -1.07 0.00 0.00 179.97 179.01 3hd7 h MET 32 N -0.17 -0.22 -1.03 0.04 2.86 -1.37 -0.97 114.93 114.07 3hd7 h MET 32 Ca -0.01 0.02 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 3hd7 h MET 32 Cb 0.14 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.75 3hd7 h MET 32 CO 0.02 -0.15 0.65 1.25 1.06 0.00 0.00 176.91 179.74 3hd7 h LEU 33 N -0.23 0.50 0.03 1.22 5.85 -1.09 -0.88 115.31 120.71 3hd7 h LEU 33 Ca 0.19 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3hd7 h LEU 33 Cb 0.56 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3hd7 h LEU 33 CO -0.65 0.10 -0.01 -0.61 -0.34 0.00 0.00 178.44 176.92 3hd7 h GLN 34 N 0.45 -0.04 -0.59 1.25 4.15 -0.94 -2.45 115.11 116.94 3hd7 h GLN 34 Ca 0.60 0.00 0.14 0.00 0.77 0.00 0.00 58.65 60.16 3hd7 h GLN 34 Cb 1.41 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 3hd7 h GLN 34 CO -0.32 0.66 0.41 -0.07 -1.93 0.00 0.00 178.83 177.58 3hd7 h LEU 35 N -0.86 0.16 -0.02 -2.39 3.38 -0.56 -0.11 115.31 114.92 3hd7 h LEU 35 Ca -0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hd7 h LEU 35 Cb 0.72 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.45 3hd7 h LEU 35 CO 0.01 0.09 -0.35 0.58 0.09 0.00 0.00 178.44 178.86 3hd7 h VAL 36 N 0.17 1.49 -0.39 1.22 2.07 -1.25 -2.65 116.25 116.91 3hd7 h VAL 36 Ca 0.28 -1.92 0.07 0.00 0.82 0.00 0.00 66.70 65.95 3hd7 h VAL 36 Cb 0.87 2.63 -0.07 0.00 -1.52 0.00 0.00 31.29 33.20 3hd7 h VAL 36 CO -0.04 0.54 -0.05 -0.33 0.02 0.00 0.00 177.57 177.71 3hd7 h GLU 37 N -0.33 0.05 -0.76 1.57 4.39 -0.70 -1.61 114.58 117.19 3hd7 h GLU 37 Ca -0.04 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.69 3hd7 h GLU 37 Cb 1.07 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 3hd7 h GLU 37 CO 0.07 0.03 0.48 0.93 -1.16 0.00 0.00 179.01 179.36 3hd7 h GLU 38 N 0.05 0.91 -0.49 2.33 5.08 -1.15 -1.71 114.58 119.60 3hd7 h GLU 38 Ca 0.19 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3hd7 h GLU 38 Cb 0.28 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3hd7 h GLU 38 CO -0.36 0.60 0.33 0.77 -1.00 0.00 0.00 179.01 179.35 3hd7 h SER 39 N 0.94 0.42 -0.11 1.42 0.02 -0.94 -0.25 113.55 115.05 3hd7 h SER 39 Ca 0.30 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3hd7 h SER 39 Cb 0.01 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3hd7 h SER 39 CO -0.11 0.28 -0.08 0.50 -1.14 0.00 0.00 176.83 176.29 3hd7 h LYS 40 N 0.49 0.25 0.74 3.45 3.64 -0.58 -0.61 116.57 123.94 3hd7 h LYS 40 Ca 0.21 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hd7 h LYS 40 Cb 0.21 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hd7 h LYS 40 CO -0.05 0.62 -0.48 -0.44 -2.27 0.00 0.00 179.45 176.83 3hd7 h ASP 41 N -0.13 -1.24 -0.37 4.20 3.32 -0.82 0.23 116.42 121.62 3hd7 h ASP 41 Ca 0.02 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.25 3hd7 h ASP 41 Cb 0.56 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3hd7 h ASP 41 CO 0.02 -0.72 0.27 0.00 -1.72 0.00 0.00 179.24 177.09 3hd7 h ALA 42 N -1.16 2.32 -0.21 3.45 0.00 -1.16 0.96 119.26 123.46 3hd7 h ALA 42 Ca -0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hd7 h ALA 42 Cb 0.93 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hd7 h ALA 42 CO 0.08 -0.46 -0.27 0.78 0.00 0.00 0.00 179.25 179.38 3hd7 h GLY 43 N 0.00 0.60 0.97 0.00 0.00 -0.48 -1.72 103.07 102.44 3hd7 h GLY 43 Ca 0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3hd7 h GLY 43 CO -0.00 0.58 0.17 -2.22 0.00 0.00 0.00 176.54 175.07 3hd7 h ILE 44 N 0.22 1.22 -0.45 2.60 2.04 1.00 -2.21 117.51 121.94 3hd7 h ILE 44 Ca 0.02 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.20 3hd7 h ILE 44 Cb 0.84 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3hd7 h ILE 44 CO 0.06 0.27 0.16 0.03 0.00 0.00 0.00 178.15 178.68 3hd7 h ARG 45 N 0.67 0.33 -0.83 2.37 3.08 -0.86 -0.20 114.38 118.94 3hd7 h ARG 45 Ca 0.16 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3hd7 h ARG 45 Cb 0.25 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 3hd7 h ARG 45 CO -0.01 0.22 0.54 1.15 -1.07 0.00 0.00 179.97 180.80 3hd7 h THR 46 N 0.34 1.01 -0.03 2.04 2.02 -1.09 -1.32 112.91 115.89 3hd7 h THR 46 Ca 0.21 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3hd7 h THR 46 Cb 0.20 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3hd7 h THR 46 CO -0.21 0.16 -0.07 -0.07 0.37 0.00 0.00 175.52 175.70 3hd7 h LEU 47 N 0.87 0.12 -1.11 2.58 3.38 -0.59 -2.57 115.31 117.99 3hd7 h LEU 47 Ca 0.37 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hd7 h LEU 47 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hd7 h LEU 47 CO -0.14 0.69 0.08 1.62 0.09 0.00 0.00 178.44 180.78 3hd7 h VAL 48 N -0.44 1.21 0.36 1.22 3.04 -0.88 -0.86 116.25 119.91 3hd7 h VAL 48 Ca -0.00 -0.80 -0.01 0.00 -1.01 0.00 0.00 66.70 64.88 3hd7 h VAL 48 Cb 0.67 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3hd7 h VAL 48 CO 0.02 0.29 -0.21 0.24 -1.01 0.00 0.00 177.57 176.90 3hd7 h MET 49 N 0.68 -0.52 -0.58 4.17 2.86 -1.26 -1.07 114.93 119.21 3hd7 h MET 49 Ca 0.15 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.96 3hd7 h MET 49 Cb 0.30 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3hd7 h MET 49 CO 0.00 -0.35 0.40 -0.07 1.06 0.00 0.00 176.91 177.96 3hd7 h LEU 50 N -0.54 0.17 -0.71 1.22 3.38 -1.03 0.98 115.31 118.78 3hd7 h LEU 50 Ca -0.04 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3hd7 h LEU 50 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hd7 h LEU 50 CO 0.05 0.09 -0.52 -0.78 0.09 0.00 0.00 178.44 177.38 3hd7 h ASP 51 N 0.18 0.36 0.00 -0.43 3.58 -0.34 0.32 116.42 120.10 3hd7 h ASP 51 Ca 0.28 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 3hd7 h ASP 51 Cb 0.85 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 3hd7 h ASP 51 CO -0.05 0.82 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.79 3hd7 h GLU 52 N 0.26 0.00 0.00 0.28 5.08 0.14 -3.24 114.58 117.10 3hd7 h GLU 52 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hd7 h GLU 52 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hd7 h GLU 52 CO 0.09 0.99 -0.01 1.96 -1.00 0.00 0.00 179.01 181.03 3hd7 h GLN 53 N -1.00 0.00 0.00 2.33 4.20 -0.91 -0.39 115.11 119.33 3hd7 h GLN 53 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3hd7 h GLN 53 Cb 0.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3hd7 h GLN 53 CO -0.00 0.01 -0.30 0.78 -0.67 0.00 0.00 178.83 178.65 3hd7 h GLY 54 N 0.33 0.00 0.94 3.46 0.00 -0.39 -2.25 103.07 105.17 3hd7 h GLY 54 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3hd7 h GLY 54 CO 0.00 0.00 -1.75 0.83 0.00 0.00 0.00 176.54 175.62 3hd7 h GLU 55 N 0.00 0.28 -0.67 4.80 5.08 -1.13 -2.96 114.58 119.98 3hd7 h GLU 55 Ca -0.00 -0.47 0.09 0.00 -1.00 0.00 0.00 59.36 57.97 3hd7 h GLU 55 Cb 0.72 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3hd7 h GLU 55 CO 0.04 1.15 0.31 1.96 -1.00 0.00 0.00 179.01 181.47 3hd7 h GLN 56 N 0.08 0.52 -0.19 2.33 4.20 -1.26 0.34 115.11 121.13 3hd7 h GLN 56 Ca -0.33 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 3hd7 h GLN 56 Cb 2.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.70 3hd7 h GLN 56 CO 0.14 0.34 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.29 3hd7 h LEU 57 N 0.53 0.37 -0.55 1.46 4.07 -1.53 -0.06 115.31 119.60 3hd7 h LEU 57 Ca 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3hd7 h LEU 57 Cb 0.37 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 3hd7 h LEU 57 CO -0.28 0.65 0.36 0.44 -1.08 0.00 0.00 178.44 178.53 3hd7 h ASP 58 N 0.33 0.64 0.80 -0.43 3.32 -0.57 0.94 116.42 121.44 3hd7 h ASP 58 Ca 0.05 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3hd7 h ASP 58 Cb 0.67 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.07 3hd7 h ASP 58 CO 0.05 0.48 -0.38 0.03 -1.72 0.00 0.00 179.24 177.70 3hd7 h ARG 59 N 0.75 -1.04 -0.99 3.56 3.08 -0.18 -2.43 114.38 117.14 3hd7 h ARG 59 Ca 0.20 0.07 0.35 0.00 0.07 0.00 0.00 59.98 60.67 3hd7 h ARG 59 Cb -0.06 0.24 -0.17 0.00 0.08 0.00 0.00 29.97 30.05 3hd7 h ARG 59 CO -0.04 -0.69 0.39 0.28 -1.07 0.00 0.00 179.97 178.84 3hd7 h VAL 60 N -1.23 0.09 -0.29 2.04 2.07 -0.89 0.47 116.25 118.51 3hd7 h VAL 60 Ca -0.11 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3hd7 h VAL 60 Cb 0.82 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hd7 h VAL 60 CO 0.18 0.01 0.03 -0.08 0.02 0.00 0.00 177.57 177.74 3hd7 h GLU 61 N 0.08 0.48 -0.98 1.57 4.81 -0.72 -2.14 114.58 117.68 3hd7 h GLU 61 Ca 0.74 -0.14 0.16 0.00 -0.13 0.00 0.00 59.36 59.99 3hd7 h GLU 61 Cb 1.79 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 31.03 3hd7 h GLU 61 CO -0.77 0.60 0.60 0.93 -0.73 0.00 0.00 179.01 179.64 3hd7 h GLU 62 N 0.29 0.81 -0.06 1.92 5.08 0.35 -2.33 114.58 120.64 3hd7 h GLU 62 Ca 0.09 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hd7 h GLU 62 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3hd7 h GLU 62 CO 0.01 0.54 -0.16 0.78 -1.00 0.00 0.00 179.01 179.17 3hd7 h GLY 63 N 0.84 -1.50 -0.24 -3.84 0.00 -0.36 0.61 103.07 98.58 3hd7 h GLY 63 Ca 0.53 0.71 0.26 0.00 0.00 0.00 0.00 47.33 48.84 3hd7 h GLY 63 CO -0.33 -0.50 0.58 -0.33 0.00 0.00 0.00 176.54 175.96 3hd7 h MET 64 N -0.16 0.50 0.05 4.80 2.86 -1.16 0.67 114.93 122.49 3hd7 h MET 64 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hd7 h MET 64 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hd7 h MET 64 CO -0.14 0.33 -0.02 -0.91 1.06 0.00 0.00 176.91 177.22 3hd7 h ASN 65 N 0.51 -0.05 0.20 1.22 2.35 -0.98 0.33 115.58 119.15 3hd7 h ASN 65 Ca 0.67 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 56.30 3hd7 h ASN 65 Cb 1.33 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.68 3hd7 h ASN 65 CO -0.51 0.09 -0.36 -0.74 -1.65 0.00 0.00 177.43 174.26 3hd7 h HIS 66 N -0.20 -0.98 -0.25 1.19 2.76 0.13 -1.95 115.15 115.85 3hd7 h HIS 66 Ca -0.01 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3hd7 h HIS 66 Cb 0.17 0.41 -0.07 0.00 1.55 0.00 0.00 27.41 29.47 3hd7 h HIS 66 CO -0.03 -0.48 -0.31 0.82 -1.30 0.00 0.00 177.93 176.63 3hd7 h ILE 67 N -0.64 0.28 -0.63 6.26 2.04 -0.97 -0.82 117.51 123.03 3hd7 h ILE 67 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.00 3hd7 h ILE 67 Cb 0.63 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 3hd7 h ILE 67 CO -0.16 0.00 -0.05 -1.13 0.00 0.00 0.00 178.15 176.81 3hd7 h ASN 68 N -0.32 -0.38 -0.72 1.72 -1.24 -0.11 0.41 115.58 114.94 3hd7 h ASN 68 Ca 0.13 0.17 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 3hd7 h ASN 68 Cb 0.53 0.32 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 3hd7 h ASN 68 CO -0.43 -0.15 0.32 -0.61 -1.29 0.00 0.00 177.43 175.27 3hd7 h GLN 69 N 0.07 1.05 -0.22 6.67 4.15 -0.63 -1.30 115.11 124.91 3hd7 h GLN 69 Ca 0.33 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 3hd7 h GLN 69 Cb 0.53 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3hd7 h GLN 69 CO -0.58 0.85 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.58 3hd7 h ASP 70 N 1.01 0.50 0.12 -0.69 3.32 0.26 -1.69 116.42 119.26 3hd7 h ASP 70 Ca 0.24 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3hd7 h ASP 70 Cb 0.16 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hd7 h ASP 70 CO -0.03 0.83 -0.09 0.24 -1.72 0.00 0.00 179.24 178.47 3hd7 h MET 71 N 0.17 0.00 -0.21 3.56 2.86 -0.16 0.29 114.93 121.44 3hd7 h MET 71 Ca 0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 3hd7 h MET 71 Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hd7 h MET 71 CO 0.04 0.09 -0.56 0.87 1.06 0.00 0.00 176.91 178.41 3hd7 h LYS 72 N 0.00 0.65 0.11 1.72 1.57 -1.02 -2.03 116.57 117.57 3hd7 h LYS 72 Ca -0.00 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3hd7 h LYS 72 Cb 0.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hd7 h LYS 72 CO 0.01 1.03 -0.05 1.49 -0.57 0.00 0.00 179.45 181.36 3hd7 h GLU 73 N 0.49 -0.14 -0.19 3.15 4.57 -0.19 -2.85 114.58 119.43 3hd7 h GLU 73 Ca 0.01 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 3hd7 h GLU 73 Cb 1.12 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3hd7 h GLU 73 CO 0.11 0.22 0.22 0.00 -1.18 0.00 0.00 179.01 178.39 3hd7 h ALA 74 N 0.31 1.78 0.34 2.92 0.00 -0.53 -0.92 119.26 123.16 3hd7 h ALA 74 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hd7 h ALA 74 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hd7 h ALA 74 CO 0.02 -0.32 -0.16 1.49 0.00 0.00 0.00 179.25 180.28 3hd7 h GLU 75 N 0.00 -0.44 -0.89 0.00 4.81 -1.26 -1.09 114.58 115.70 3hd7 h GLU 75 Ca 0.09 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.59 3hd7 h GLU 75 Cb 0.54 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 29.88 3hd7 h GLU 75 CO -0.00 -0.12 0.32 -0.22 -0.73 0.00 0.00 179.01 178.26 3hd7 h LYS 76 N -0.84 0.28 -0.10 1.92 3.64 -0.96 -2.05 116.57 118.46 3hd7 h LYS 76 Ca -0.05 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.11 3hd7 h LYS 76 Cb 0.53 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3hd7 h LYS 76 CO 0.08 0.18 -0.79 -0.91 -2.27 0.00 0.00 179.45 175.74 3hd7 h ASN 77 N 0.28 0.71 0.97 4.20 2.35 -1.30 -2.84 115.58 119.96 3hd7 h ASN 77 Ca 0.57 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hd7 h ASN 77 Cb 1.15 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3hd7 h ASN 77 CO -0.60 1.26 0.00 -0.07 -1.65 0.00 0.00 177.43 176.36 3hd7 h LEU 78 N 0.40 0.00 -0.05 1.61 4.07 -0.53 -2.23 115.31 118.58 3hd7 h LEU 78 Ca -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3hd7 h LEU 78 Cb 1.40 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.14 3hd7 h LEU 78 CO 0.15 0.00 -0.07 0.50 -1.08 0.00 0.00 178.44 177.94 3hd7 h LYS 79 N 0.00 0.13 0.00 1.13 3.64 -1.18 -2.97 116.57 117.32 3hd7 h LYS 79 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hd7 h LYS 79 Cb 0.48 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hd7 h LYS 79 CO 0.00 0.62 0.00 -0.25 -2.27 0.00 0.00 179.45 177.55 3hd7 n ASP 80 N -4.72 0.00 -1.03 4.20 8.00 -0.86 -0.78 116.55 121.36 3hd7 n ASP 80 Ca -0.08 -0.37 0.07 0.00 0.71 0.00 0.00 54.79 55.11 3hd7 n ASP 80 Cb 0.31 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.68 3hd7 n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hd7 n LEU 81 N -0.80 4.13 0.00 0.64 4.32 -1.10 -5.09 117.00 119.09 3hd7 n LEU 81 Ca 0.04 -3.10 0.00 0.00 -0.02 0.00 0.00 56.01 52.93 3hd7 n LEU 81 Cb 0.02 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 3hd7 n LEU 81 CO 0.03 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 177.54