#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd7 h ASN 9 N 0.00 0.00 -0.40 0.55 -1.24 -2.05 -2.24 115.58 110.20 3hd7 h ASN 9 Ca 0.00 -0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.08 3hd7 h ASN 9 Cb 0.00 -0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 3hd7 h ASN 9 CO 0.00 0.94 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.72 3hd7 h GLU 10 N 0.00 0.08 0.00 6.67 5.08 -2.05 -0.29 114.58 124.07 3hd7 h GLU 10 Ca -0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3hd7 h GLU 10 Cb 1.65 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3hd7 h GLU 10 CO 0.12 0.05 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.67 3hd7 h LEU 11 N 0.08 0.00 -0.27 1.33 3.38 -1.97 -3.13 115.31 114.74 3hd7 h LEU 11 Ca 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3hd7 h LEU 11 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hd7 h LEU 11 CO -0.35 0.18 -0.16 -0.08 0.09 0.00 0.00 178.44 178.11 3hd7 h GLU 12 N 0.00 0.58 0.00 1.13 4.81 -0.74 0.09 114.58 120.45 3hd7 h GLU 12 Ca -0.02 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3hd7 h GLU 12 Cb 1.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hd7 h GLU 12 CO 0.02 0.84 0.00 0.39 -0.73 0.00 0.00 179.01 179.53 3hd7 n GLU 13 N -4.42 0.37 -0.00 1.92 1.02 -0.18 -0.36 120.64 118.99 3hd7 n GLU 13 Ca -0.04 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.21 3hd7 n GLU 13 Cb 0.38 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 3hd7 n GLU 13 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3hd7 n MET 14 N -1.31 0.26 0.00 3.49 1.56 -1.06 -3.74 117.12 116.32 3hd7 n MET 14 Ca 0.13 -0.07 0.03 0.00 -0.27 0.00 0.00 57.70 57.52 3hd7 n MET 14 Cb 0.25 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.12 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 -1.76 1.66 0.09 2.12 6.02 -0.01 -4.03 117.38 121.47 3hd7 n GLN 15 Ca 0.01 -0.57 -0.23 0.00 -0.01 0.00 0.00 57.00 56.20 3hd7 n GLN 15 Cb 0.41 -0.99 -0.15 0.00 1.02 0.00 0.00 30.24 30.53 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 0.78 0.42 -0.05 -1.09 3.08 -0.87 -3.12 114.38 113.54 3hd7 h ARG 16 Ca 0.00 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.32 3hd7 h ARG 16 Cb 0.21 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3hd7 h ARG 16 CO 0.00 1.35 0.00 0.54 -1.07 0.00 0.00 179.97 180.79 3hd7 n ARG 17 N -3.68 1.15 -0.09 0.04 5.12 -1.24 -2.26 116.66 115.70 3hd7 n ARG 17 Ca -0.22 -0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 55.37 3hd7 n ARG 17 Cb 1.06 -1.19 -0.11 0.00 -1.16 0.00 0.00 32.46 31.06 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 -0.45 1.59 0.91 7.54 0.00 -1.24 -3.73 120.51 125.13 3hd7 n ALA 18 Ca 0.09 -0.97 0.14 0.00 0.00 0.00 0.00 53.44 52.70 3hd7 n ALA 18 Cb 0.09 -0.03 0.57 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.80 0.16 -0.01 0.00 2.03 -1.18 -2.99 116.55 111.76 3hd7 n ASP 19 Ca -0.30 0.52 -0.16 0.00 0.52 0.00 0.00 54.79 55.36 3hd7 n ASP 19 Cb 0.96 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.26 0.00 -0.67 4.15 -1.61 -3.21 115.11 114.02 3hd7 h GLN 20 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 3hd7 h GLN 20 Cb 0.54 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 3hd7 h GLN 20 CO 0.00 1.01 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.82 3hd7 h LEU 21 N -0.38 0.00 0.20 -2.39 3.38 -1.63 -2.75 115.31 111.74 3hd7 h LEU 21 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hd7 h LEU 21 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3hd7 h LEU 21 CO 0.08 0.03 -0.10 0.00 0.09 0.00 0.00 178.44 178.54 3hd7 h ALA 22 N 1.97 -0.27 -0.21 1.53 0.00 -1.53 -2.66 119.26 118.09 3hd7 h ALA 22 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3hd7 h ALA 22 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hd7 h ALA 22 CO 0.00 -0.49 -0.39 -0.44 0.00 0.00 0.00 179.25 177.94 3hd7 h ASP 23 N -0.60 0.71 -0.79 0.00 3.32 -1.60 -2.60 116.42 114.86 3hd7 h ASP 23 Ca -0.03 -0.54 0.15 0.00 0.02 0.00 0.00 57.03 56.63 3hd7 h ASP 23 Cb 0.44 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3hd7 h ASP 23 CO 0.05 1.11 0.52 -0.33 -1.72 0.00 0.00 179.24 178.87 3hd7 h GLU 24 N 0.33 0.48 0.08 3.56 5.08 -1.56 0.30 114.58 122.84 3hd7 h GLU 24 Ca 0.01 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 3hd7 h GLU 24 Cb 0.98 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.15 3hd7 h GLU 24 CO 0.09 0.32 -0.90 0.77 -1.00 0.00 0.00 179.01 178.28 3hd7 h SER 25 N 0.49 0.66 0.85 1.42 0.02 -1.40 -2.51 113.55 113.08 3hd7 h SER 25 Ca 0.39 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3hd7 h SER 25 Cb 0.81 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3hd7 h SER 25 CO -0.14 1.42 -0.10 0.25 -1.14 0.00 0.00 176.83 177.12 3hd7 h LEU 26 N -0.01 0.00 -0.01 5.07 6.46 -0.98 -1.38 115.31 124.46 3hd7 h LEU 26 Ca -0.13 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.46 3hd7 h LEU 26 Cb 1.63 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.57 3hd7 h LEU 26 CO 0.17 0.10 -0.65 -0.08 -0.62 0.00 0.00 178.44 177.36 3hd7 h GLU 27 N 0.00 0.46 0.00 1.25 4.57 -0.42 -1.75 114.58 118.70 3hd7 h GLU 27 Ca -0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3hd7 h GLU 27 Cb 0.54 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3hd7 h GLU 27 CO 0.01 1.13 0.00 0.66 -1.18 0.00 0.00 179.01 179.63 3hd7 h SER 28 N -0.01 0.00 0.90 1.04 4.64 -1.27 -0.66 113.55 118.19 3hd7 h SER 28 Ca -0.08 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.02 3hd7 h SER 28 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 3hd7 h SER 28 CO 0.13 0.00 -1.16 0.00 -0.87 0.00 0.00 176.83 174.93 3hd7 h THR 29 N 0.00 1.31 -0.27 2.95 1.03 -1.13 -1.35 112.91 115.46 3hd7 h THR 29 Ca 0.00 -3.01 -0.10 0.00 -0.01 0.00 0.00 66.41 63.29 3hd7 h THR 29 Cb 0.44 2.63 -0.00 0.00 -1.07 0.00 0.00 68.15 70.15 3hd7 h THR 29 CO 0.00 0.75 -0.24 0.03 -0.01 0.00 0.00 175.52 176.05 3hd7 h ARG 30 N 0.00 0.63 -0.19 0.00 3.08 -0.46 -2.79 114.38 114.65 3hd7 h ARG 30 Ca -0.09 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 3hd7 h ARG 30 Cb 1.78 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 3hd7 h ARG 30 CO 0.10 0.92 -0.01 0.00 -1.07 0.00 0.00 179.97 179.92 3hd7 h ARG 31 N 0.36 0.35 -0.27 0.04 3.08 -1.19 -2.86 114.38 113.90 3hd7 h ARG 31 Ca 0.05 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.04 3hd7 h ARG 31 Cb 0.79 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 3hd7 h ARG 31 CO 0.06 0.57 -0.21 0.52 -1.07 0.00 0.00 179.97 179.83 3hd7 h MET 32 N 0.10 -0.20 -0.99 0.04 2.86 -1.32 -1.11 114.93 114.31 3hd7 h MET 32 Ca 0.05 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.95 3hd7 h MET 32 Cb 0.42 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 3hd7 h MET 32 CO 0.01 -0.13 0.65 1.25 1.06 0.00 0.00 176.91 179.76 3hd7 h LEU 33 N -0.20 0.35 0.06 1.22 5.85 -1.31 -0.76 115.31 120.52 3hd7 h LEU 33 Ca 0.15 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hd7 h LEU 33 Cb 0.43 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hd7 h LEU 33 CO -0.39 0.10 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.18 3hd7 h GLN 34 N 0.33 -0.08 -0.97 1.25 4.15 -1.03 -2.46 115.11 116.30 3hd7 h GLN 34 Ca 0.53 0.01 0.22 0.00 0.77 0.00 0.00 58.65 60.17 3hd7 h GLN 34 Cb 1.45 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 29.08 3hd7 h GLN 34 CO -0.20 0.49 0.62 -0.07 -1.93 0.00 0.00 178.83 177.74 3hd7 h LEU 35 N -0.91 0.52 -0.31 -2.39 3.38 -0.46 0.27 115.31 115.42 3hd7 h LEU 35 Ca -0.01 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 3hd7 h LEU 35 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hd7 h LEU 35 CO 0.01 0.18 -0.75 0.58 0.09 0.00 0.00 178.44 178.55 3hd7 h VAL 36 N 0.50 1.34 -0.19 1.22 2.07 -1.24 -1.84 116.25 118.12 3hd7 h VAL 36 Ca 0.53 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3hd7 h VAL 36 Cb 1.18 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3hd7 h VAL 36 CO -0.26 0.64 0.12 -0.33 0.02 0.00 0.00 177.57 177.76 3hd7 h GLU 37 N 0.38 0.25 -0.52 1.57 4.39 -0.04 -2.08 114.58 118.53 3hd7 h GLU 37 Ca -0.04 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3hd7 h GLU 37 Cb 1.34 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3hd7 h GLU 37 CO 0.14 0.18 0.18 0.93 -1.16 0.00 0.00 179.01 179.28 3hd7 h GLU 38 N 0.25 0.80 -0.44 2.33 5.08 -1.13 -1.82 114.58 119.65 3hd7 h GLU 38 Ca 0.07 -0.16 0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3hd7 h GLU 38 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3hd7 h GLU 38 CO -0.01 0.72 0.32 0.77 -1.00 0.00 0.00 179.01 179.81 3hd7 h SER 39 N 0.71 0.00 0.02 1.42 0.02 -1.13 0.36 113.55 114.94 3hd7 h SER 39 Ca 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3hd7 h SER 39 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3hd7 h SER 39 CO -0.01 0.00 -0.44 0.50 -1.14 0.00 0.00 176.83 175.74 3hd7 h LYS 40 N 0.00 0.27 0.50 3.45 3.64 -0.65 -1.42 116.57 122.36 3hd7 h LYS 40 Ca 0.21 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3hd7 h LYS 40 Cb 0.84 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3hd7 h LYS 40 CO -0.00 1.03 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.47 3hd7 h ASP 41 N -0.36 -0.77 -1.04 4.20 3.32 -0.51 -0.18 116.42 121.08 3hd7 h ASP 41 Ca -0.06 0.04 0.30 0.00 0.02 0.00 0.00 57.03 57.33 3hd7 h ASP 41 Cb 1.20 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 3hd7 h ASP 41 CO 0.09 -0.47 0.78 0.00 -1.72 0.00 0.00 179.24 177.92 3hd7 h ALA 42 N -1.46 2.96 -0.08 3.45 0.00 -0.46 0.10 119.26 123.77 3hd7 h ALA 42 Ca -0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3hd7 h ALA 42 Cb 0.60 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hd7 h ALA 42 CO 0.07 -1.31 -0.36 0.78 0.00 0.00 0.00 179.25 178.42 3hd7 h GLY 43 N 0.00 0.43 1.01 0.00 0.00 -0.72 -2.90 103.07 100.88 3hd7 h GLY 43 Ca 0.49 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3hd7 h GLY 43 CO -0.01 0.53 0.07 -2.22 0.00 0.00 0.00 176.54 174.91 3hd7 h ILE 44 N -0.07 1.26 -0.54 2.60 2.04 0.98 -1.97 117.51 121.80 3hd7 h ILE 44 Ca -0.02 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 64.95 3hd7 h ILE 44 Cb 1.00 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3hd7 h ILE 44 CO 0.08 0.35 0.14 0.03 0.00 0.00 0.00 178.15 178.74 3hd7 h ARG 45 N 0.78 0.27 -0.97 2.37 3.08 -1.20 0.16 114.38 118.87 3hd7 h ARG 45 Ca 0.16 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3hd7 h ARG 45 Cb 0.43 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3hd7 h ARG 45 CO 0.01 0.18 0.64 1.15 -1.07 0.00 0.00 179.97 180.89 3hd7 h THR 46 N 0.28 1.24 -0.22 2.04 2.02 -1.26 -0.89 112.91 116.12 3hd7 h THR 46 Ca 0.27 -0.45 -0.17 0.00 0.77 0.00 0.00 66.41 66.84 3hd7 h THR 46 Cb 0.36 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3hd7 h THR 46 CO -0.33 0.24 -0.55 -0.07 0.37 0.00 0.00 175.52 175.18 3hd7 h LEU 47 N 1.31 0.73 -0.33 2.58 3.38 -0.42 -2.35 115.31 120.21 3hd7 h LEU 47 Ca 0.36 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3hd7 h LEU 47 Cb -0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3hd7 h LEU 47 CO -0.08 1.13 -0.21 1.62 0.09 0.00 0.00 178.44 180.98 3hd7 h VAL 48 N 0.50 1.29 0.16 1.22 3.04 -0.44 -2.65 116.25 119.38 3hd7 h VAL 48 Ca 0.01 -1.35 0.01 0.00 -1.01 0.00 0.00 66.70 64.36 3hd7 h VAL 48 Cb 1.11 1.45 -0.03 0.00 -2.01 0.00 0.00 31.29 31.82 3hd7 h VAL 48 CO 0.11 0.44 -0.23 0.24 -1.01 0.00 0.00 177.57 177.12 3hd7 h MET 49 N 0.49 -0.43 -0.16 4.17 2.86 -1.11 -0.25 114.93 120.50 3hd7 h MET 49 Ca 0.07 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 3hd7 h MET 49 Cb 0.77 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3hd7 h MET 49 CO 0.06 -0.29 0.25 -0.07 1.06 0.00 0.00 176.91 177.92 3hd7 h LEU 50 N -0.45 0.00 0.07 1.22 3.38 -1.41 0.18 115.31 118.30 3hd7 h LEU 50 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 3hd7 h LEU 50 Cb 0.45 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.22 3hd7 h LEU 50 CO -0.10 0.00 -1.19 -0.78 0.09 0.00 0.00 178.44 176.46 3hd7 h ASP 51 N 0.00 0.82 -0.06 -0.43 3.58 -0.71 -0.10 116.42 119.52 3hd7 h ASP 51 Ca 0.08 -0.74 -0.09 0.00 0.42 0.00 0.00 57.03 56.70 3hd7 h ASP 51 Cb 0.58 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3hd7 h ASP 51 CO -0.00 1.55 -0.31 -0.33 -2.88 0.00 0.00 179.24 177.27 3hd7 h GLU 52 N 0.28 0.32 0.00 0.28 5.08 0.07 -3.02 114.58 117.59 3hd7 h GLU 52 Ca -0.17 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hd7 h GLU 52 Cb 1.86 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.16 3hd7 h GLU 52 CO 0.22 0.91 0.00 1.96 -1.00 0.00 0.00 179.01 181.10 3hd7 h GLN 53 N -0.19 0.00 -0.42 2.33 4.20 -0.84 -2.22 115.11 117.98 3hd7 h GLN 53 Ca -0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3hd7 h GLN 53 Cb 0.96 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 3hd7 h GLN 53 CO 0.06 0.00 -0.18 0.78 -0.67 0.00 0.00 178.83 178.83 3hd7 h GLY 54 N 1.84 0.86 1.36 3.46 0.00 -0.88 -2.24 103.07 107.46 3hd7 h GLY 54 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 47.33 46.39 3hd7 h GLY 54 CO 0.00 0.65 -0.92 0.83 0.00 0.00 0.00 176.54 177.10 3hd7 h GLU 55 N 0.71 0.60 -0.21 4.80 5.08 -1.31 -2.35 114.58 121.89 3hd7 h GLU 55 Ca 0.11 -0.59 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3hd7 h GLU 55 Cb 0.68 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 3hd7 h GLU 55 CO 0.05 1.20 -0.05 1.96 -1.00 0.00 0.00 179.01 181.17 3hd7 h GLN 56 N 0.36 -0.00 -0.26 2.33 4.20 -1.30 0.13 115.11 120.58 3hd7 h GLN 56 Ca -0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3hd7 h GLN 56 Cb 1.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3hd7 h GLN 56 CO 0.17 -0.00 0.04 -0.07 -0.67 0.00 0.00 178.83 178.30 3hd7 h LEU 57 N -0.00 0.34 -0.81 1.46 4.07 -1.44 0.17 115.31 119.09 3hd7 h LEU 57 Ca 0.10 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3hd7 h LEU 57 Cb 0.16 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 3hd7 h LEU 57 CO -0.22 0.37 0.53 0.44 -1.08 0.00 0.00 178.44 178.48 3hd7 h ASP 58 N 0.36 0.93 -0.05 -0.43 3.32 -0.54 -1.60 116.42 118.41 3hd7 h ASP 58 Ca 0.09 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hd7 h ASP 58 Cb 0.19 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3hd7 h ASP 58 CO 0.00 0.68 -0.01 0.03 -1.72 0.00 0.00 179.24 178.22 3hd7 h ARG 59 N 1.10 0.10 -0.43 3.56 3.08 0.13 -2.71 114.38 119.20 3hd7 h ARG 59 Ca 0.29 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.43 3hd7 h ARG 59 Cb -0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3hd7 h ARG 59 CO -0.06 0.44 0.34 0.28 -1.07 0.00 0.00 179.97 179.89 3hd7 h VAL 60 N -0.24 0.69 0.15 2.04 2.07 -0.77 -0.87 116.25 119.32 3hd7 h VAL 60 Ca 0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.23 3hd7 h VAL 60 Cb 0.40 0.76 0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3hd7 h VAL 60 CO 0.01 0.00 -1.29 -0.08 0.02 0.00 0.00 177.57 176.22 3hd7 h GLU 61 N 0.00 0.61 -0.78 1.57 4.81 -1.18 -2.86 114.58 116.75 3hd7 h GLU 61 Ca 0.21 -0.85 0.13 0.00 -0.13 0.00 0.00 59.36 58.72 3hd7 h GLU 61 Cb 0.88 0.29 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3hd7 h GLU 61 CO -0.00 1.39 0.51 0.93 -0.73 0.00 0.00 179.01 181.11 3hd7 h GLU 62 N 0.25 0.54 0.44 1.92 5.08 -0.89 -2.45 114.58 119.47 3hd7 h GLU 62 Ca -0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3hd7 h GLU 62 Cb 1.97 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 3hd7 h GLU 62 CO 0.25 0.36 -0.43 0.78 -1.00 0.00 0.00 179.01 178.96 3hd7 h GLY 63 N 0.55 -1.18 0.93 -3.84 0.00 -0.99 0.15 103.07 98.68 3hd7 h GLY 63 Ca 0.38 0.54 0.11 0.00 0.00 0.00 0.00 47.33 48.36 3hd7 h GLY 63 CO -0.14 -0.36 0.44 -0.33 0.00 0.00 0.00 176.54 176.15 3hd7 h MET 64 N -0.86 0.43 0.15 4.80 2.86 -1.36 0.11 114.93 121.05 3hd7 h MET 64 Ca -0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3hd7 h MET 64 Cb 0.74 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hd7 h MET 64 CO -0.04 0.29 -0.07 -0.91 1.06 0.00 0.00 176.91 177.23 3hd7 h ASN 65 N 0.45 -0.17 0.34 1.22 2.35 -0.98 0.17 115.58 118.96 3hd7 h ASN 65 Ca 0.31 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hd7 h ASN 65 Cb 0.61 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3hd7 h ASN 65 CO -0.09 0.07 -0.43 -0.74 -1.65 0.00 0.00 177.43 174.59 3hd7 h HIS 66 N -0.41 -1.19 -1.00 1.19 2.76 -0.07 -1.51 115.15 114.93 3hd7 h HIS 66 Ca -0.02 0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.38 3hd7 h HIS 66 Cb 0.32 0.48 -0.10 0.00 1.55 0.00 0.00 27.41 29.66 3hd7 h HIS 66 CO -0.00 -0.57 0.62 0.82 -1.30 0.00 0.00 177.93 177.49 3hd7 h ILE 67 N -0.81 0.64 -0.32 6.26 2.04 -0.78 -0.62 117.51 123.91 3hd7 h ILE 67 Ca -0.02 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3hd7 h ILE 67 Cb 0.75 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3hd7 h ILE 67 CO -0.12 0.11 -0.14 -1.13 0.00 0.00 0.00 178.15 176.88 3hd7 h ASN 68 N 0.63 0.68 -0.20 1.72 -1.24 -0.07 -0.42 115.58 116.69 3hd7 h ASN 68 Ca 0.58 -0.40 -0.07 0.00 0.71 0.00 0.00 56.30 57.12 3hd7 h ASN 68 Cb 1.09 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 3hd7 h ASN 68 CO -0.35 0.93 -0.09 -0.61 -1.29 0.00 0.00 177.43 176.02 3hd7 h GLN 69 N 0.43 0.56 0.07 6.67 4.15 -0.24 -2.35 115.11 124.40 3hd7 h GLN 69 Ca 0.07 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hd7 h GLN 69 Cb 0.66 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3hd7 h GLN 69 CO 0.04 0.65 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.12 3hd7 h ASP 70 N 0.52 -0.07 -0.05 -0.69 3.32 -1.02 -2.81 116.42 115.61 3hd7 h ASP 70 Ca 0.10 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.64 3hd7 h ASP 70 Cb 0.47 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hd7 h ASP 70 CO 0.03 0.52 0.20 0.24 -1.72 0.00 0.00 179.24 178.51 3hd7 h MET 71 N -0.72 0.00 0.00 3.56 2.86 -1.08 0.71 114.93 120.26 3hd7 h MET 71 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3hd7 h MET 71 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3hd7 h MET 71 CO 0.01 0.00 -0.50 0.87 1.06 0.00 0.00 176.91 178.35 3hd7 h LYS 72 N 0.00 0.00 0.00 1.72 1.57 -1.30 -2.59 116.57 115.97 3hd7 h LYS 72 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hd7 h LYS 72 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hd7 h LYS 72 CO -0.00 0.50 -0.19 1.49 -0.57 0.00 0.00 179.45 180.68 3hd7 h GLU 73 N 0.00 0.00 0.00 3.15 4.57 0.55 -3.03 114.58 119.82 3hd7 h GLU 73 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3hd7 h GLU 73 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3hd7 h GLU 73 CO 0.07 0.65 0.21 0.00 -1.18 0.00 0.00 179.01 178.76 3hd7 h ALA 74 N -0.41 1.20 0.07 2.92 0.00 -0.94 0.32 119.26 122.43 3hd7 h ALA 74 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hd7 h ALA 74 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hd7 h ALA 74 CO -0.03 -0.20 -0.04 1.49 0.00 0.00 0.00 179.25 180.48 3hd7 h GLU 75 N 0.00 -0.09 -0.83 0.00 4.81 -1.52 -2.78 114.58 114.17 3hd7 h GLU 75 Ca 0.00 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 3hd7 h GLU 75 Cb 0.42 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.73 3hd7 h GLU 75 CO 0.00 0.46 0.40 -0.22 -0.73 0.00 0.00 179.01 178.92 3hd7 h LYS 76 N -0.77 0.53 0.42 1.92 3.64 -0.31 -2.90 116.57 119.11 3hd7 h LYS 76 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3hd7 h LYS 76 Cb 0.60 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3hd7 h LYS 76 CO 0.02 0.35 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.44 3hd7 h ASN 77 N 0.55 -0.47 0.00 4.20 2.35 -1.15 -2.95 115.58 118.11 3hd7 h ASN 77 Ca 0.46 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3hd7 h ASN 77 Cb 0.69 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.18 3hd7 h ASN 77 CO -0.39 -0.09 0.03 0.18 -1.65 0.00 0.00 177.43 175.51 3hd7 n LEU 78 N -5.19 0.00 0.06 1.61 4.32 -1.05 0.71 117.00 117.46 3hd7 n LEU 78 Ca -0.10 0.44 -0.09 0.00 -0.02 0.00 0.00 56.01 56.24 3hd7 n LEU 78 Cb 0.29 -0.44 -0.13 0.00 -1.62 0.00 0.00 43.42 41.52 3hd7 n LEU 78 CO 0.28 -0.44 0.01 0.50 -1.22 0.00 0.00 177.39 176.53 3hd7 h LYS 79 N 0.00 0.07 0.00 3.23 3.64 -1.33 -3.12 116.57 119.06 3hd7 h LYS 79 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3hd7 h LYS 79 Cb 0.07 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hd7 h LYS 79 CO 0.00 1.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.93 3hd7 n ASP 80 N -3.36 0.00 -0.68 4.20 8.00 0.22 -2.87 116.55 122.06 3hd7 n ASP 80 Ca -0.04 -1.74 0.06 0.00 0.71 0.00 0.00 54.79 53.78 3hd7 n ASP 80 Cb 0.97 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.59 2.54 0.00 0.64 4.32 -1.17 -5.11 117.00 117.63 3hd7 n LEU 81 Ca 0.04 -3.72 0.00 0.00 -0.02 0.00 0.00 56.01 52.32 3hd7 n LEU 81 Cb 0.02 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 3hd7 n LEU 81 CO 0.03 1.31 0.00 0.61 -1.22 0.00 0.00 177.39 178.13