#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd7 n SER 2 N 0.00 -3.26 -4.55 4.31 7.64 -1.26 -4.89 113.62 111.60 1pd7 n SER 2 Ca 0.00 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 1pd7 n SER 2 Cb 0.00 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 1pd7 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pd7 s ASP 3 N -2.39 6.41 -0.16 6.43 1.01 -1.26 -4.88 116.67 121.84 1pd7 s ASP 3 Ca 0.00 0.01 0.19 0.00 0.71 0.00 0.00 52.55 53.46 1pd7 s ASP 3 Cb 0.00 -2.34 0.45 0.00 1.01 0.00 0.00 42.92 42.04 1pd7 s ASP 3 CO 0.00 -0.71 1.17 -1.20 0.21 0.00 0.00 175.17 174.64 1pd7 n SER 4 N 6.25 1.91 0.21 0.27 7.64 -1.26 -4.89 113.62 123.75 1pd7 n SER 4 Ca -0.00 -2.68 -0.15 0.00 1.01 0.00 0.00 58.87 57.05 1pd7 n SER 4 Cb 0.48 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 1pd7 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pd7 h VAL 5 N 4.62 0.35 0.00 0.44 2.07 -1.99 -2.59 116.25 119.15 1pd7 h VAL 5 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1pd7 h VAL 5 Cb 1.49 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1pd7 h VAL 5 CO 0.20 0.00 -0.01 1.05 0.02 0.00 0.00 177.57 178.84 1pd7 h GLU 6 N -0.67 0.00 -0.82 1.57 4.11 -1.98 0.63 114.58 117.43 1pd7 h GLU 6 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1pd7 h GLU 6 Cb 0.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1pd7 h GLU 6 CO -0.05 0.01 0.42 0.35 0.07 0.00 0.00 179.01 179.81 1pd7 h PHE 7 N 0.00 1.15 0.00 2.06 3.57 -1.92 -1.97 116.94 119.84 1pd7 h PHE 7 Ca -0.00 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.29 1pd7 h PHE 7 Cb 0.84 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1pd7 h PHE 7 CO 0.00 0.82 -0.79 -0.91 -2.23 0.00 0.00 178.31 175.20 1pd7 h ASN 8 N 1.15 0.00 -0.05 0.41 2.35 -0.73 -2.51 115.58 116.20 1pd7 h ASN 8 Ca 0.29 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1pd7 h ASN 8 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1pd7 h ASN 8 CO -0.04 0.79 -0.07 0.78 -1.65 0.00 0.00 177.43 177.24 1pd7 h ASN 9 N 0.00 0.26 -0.27 5.81 2.35 -0.79 -1.05 115.58 121.88 1pd7 h ASN 9 Ca -0.01 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 1pd7 h ASN 9 Cb 1.50 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.80 1pd7 h ASN 9 CO 0.10 0.37 -0.29 0.00 -1.65 0.00 0.00 177.43 175.96 1pd7 h ALA 10 N 1.67 0.40 -0.25 -0.83 0.00 -1.10 -3.27 119.26 115.88 1pd7 h ALA 10 Ca 0.06 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1pd7 h ALA 10 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pd7 h ALA 10 CO 0.01 0.41 0.06 0.82 0.00 0.00 0.00 179.25 180.55 1pd7 h ILE 11 N 0.40 0.89 -0.80 0.00 1.08 -1.02 -2.75 117.51 115.32 1pd7 h ILE 11 Ca 0.04 -0.05 0.12 0.00 -0.39 0.00 0.00 64.86 64.58 1pd7 h ILE 11 Cb 0.86 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 1pd7 h ILE 11 CO 0.07 0.03 0.52 0.77 -0.69 0.00 0.00 178.15 178.85 1pd7 h SER 12 N 0.15 0.57 0.26 1.72 4.64 -1.29 0.12 113.55 119.72 1pd7 h SER 12 Ca 0.11 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1pd7 h SER 12 Cb 0.11 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1pd7 h SER 12 CO -0.15 0.32 -0.13 0.22 -0.87 0.00 0.00 176.83 176.23 1pd7 h TYR 13 N 0.62 -0.33 -1.00 4.77 3.20 -1.54 -0.81 116.97 121.89 1pd7 h TYR 13 Ca 0.38 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1pd7 h TYR 13 Cb 0.62 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1pd7 h TYR 13 CO -0.00 0.04 0.66 0.28 -1.64 0.00 0.00 178.16 177.50 1pd7 h VAL 14 N -0.80 1.24 -0.14 1.81 2.07 -1.33 -1.02 116.25 118.08 1pd7 h VAL 14 Ca -0.04 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1pd7 h VAL 14 Cb 0.51 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1pd7 h VAL 14 CO 0.06 0.24 0.05 -1.13 0.02 0.00 0.00 177.57 176.81 1pd7 h ASN 15 N 1.34 0.06 -1.00 0.57 -1.24 -0.80 -0.06 115.58 114.46 1pd7 h ASN 15 Ca 0.37 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.44 1pd7 h ASN 15 Cb -0.13 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.86 1pd7 h ASN 15 CO -0.09 0.06 0.65 0.11 -1.29 0.00 0.00 177.43 176.87 1pd7 h LYS 16 N 0.12 1.21 -0.14 6.67 1.57 -0.63 0.18 116.57 125.55 1pd7 h LYS 16 Ca 0.06 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1pd7 h LYS 16 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1pd7 h LYS 16 CO -0.06 0.80 0.05 0.82 -0.57 0.00 0.00 179.45 180.49 1pd7 h ILE 17 N 1.24 0.97 -0.66 1.86 2.04 -1.02 -1.84 117.51 120.10 1pd7 h ILE 17 Ca 0.41 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 66.16 1pd7 h ILE 17 Cb 0.05 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1pd7 h ILE 17 CO -0.14 0.02 0.14 0.07 0.00 0.00 0.00 178.15 178.25 1pd7 h LYS 18 N 0.13 1.06 -0.85 2.37 2.10 -0.47 0.62 116.57 121.53 1pd7 h LYS 18 Ca 0.06 -0.26 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 1pd7 h LYS 18 Cb 0.03 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.18 1pd7 h LYS 18 CO -0.06 0.95 0.43 1.15 -2.00 0.00 0.00 179.45 179.92 1pd7 h THR 19 N 1.01 1.26 -0.16 0.07 2.02 -0.87 -2.91 112.91 113.33 1pd7 h THR 19 Ca 0.21 -0.69 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 1pd7 h THR 19 Cb 0.38 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1pd7 h THR 19 CO 0.00 0.30 -0.43 0.03 0.37 0.00 0.00 175.52 175.80 1pd7 h ARG 20 N 1.21 0.58 -1.94 6.66 2.47 -1.09 -3.34 114.38 118.93 1pd7 h ARG 20 Ca 0.30 -0.41 -0.30 0.00 -1.26 0.00 0.00 59.98 58.31 1pd7 h ARG 20 Cb 0.09 0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.36 1pd7 h ARG 20 CO -0.04 1.02 0.04 1.19 0.56 0.00 0.00 179.97 182.74 1pd7 n PHE 21 N -4.25 0.78 0.11 3.04 3.72 0.19 -3.91 117.46 117.14 1pd7 n PHE 21 Ca -0.07 -1.67 -0.22 0.00 -0.05 0.00 0.00 57.45 55.44 1pd7 n PHE 21 Cb 0.55 -1.33 -0.15 0.00 -0.94 0.00 0.00 39.48 37.62 1pd7 n PHE 21 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1pd7 h LEU 22 N 4.10 0.66 0.00 4.37 3.38 -1.67 -3.21 115.31 122.93 1pd7 h LEU 22 Ca 0.26 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1pd7 h LEU 22 Cb 1.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1pd7 h LEU 22 CO 0.51 1.67 0.00 0.47 0.09 0.00 0.00 178.44 181.18 1pd7 n ASP 23 N -3.62 0.00 -3.17 -0.43 9.92 -1.25 -4.13 116.55 113.87 1pd7 n ASP 23 Ca -0.19 -0.25 -0.23 0.00 -0.53 0.00 0.00 54.79 53.59 1pd7 n ASP 23 Cb 1.08 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 41.27 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pd7 n HIS 24 N -1.23 -0.49 1.17 1.24 8.25 -1.23 -4.99 115.22 117.94 1pd7 n HIS 24 Ca 0.14 -3.48 0.12 0.00 -0.26 0.00 0.00 57.72 54.24 1pd7 n HIS 24 Cb 0.19 -0.26 0.61 0.00 1.12 0.00 0.00 29.99 31.66 1pd7 n HIS 24 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1pd7 n PRO 25 N 1.36 0.39 0.21 -0.41 -0.04 -1.21 -2.84 135.00 132.46 1pd7 n PRO 25 Ca 0.21 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1pd7 n PRO 25 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 1pd7 n PRO 25 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pd7 h GLU 26 N 0.00 0.00 -0.18 0.54 4.11 -1.94 -3.07 114.58 114.04 1pd7 h GLU 26 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1pd7 h GLU 26 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1pd7 h GLU 26 CO 0.00 0.00 -0.29 0.82 0.07 0.00 0.00 179.01 179.61 1pd7 h ILE 27 N 0.00 1.27 0.00 -1.06 1.08 -1.89 -2.80 117.51 114.10 1pd7 h ILE 27 Ca 0.00 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1pd7 h ILE 27 Cb 0.95 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1pd7 h ILE 27 CO 0.00 0.40 0.00 0.22 -0.69 0.00 0.00 178.15 178.08 1pd7 h TYR 28 N 0.31 0.00 0.18 1.37 3.20 -1.75 0.14 116.97 120.42 1pd7 h TYR 28 Ca 0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1pd7 h TYR 28 Cb 0.67 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1pd7 h TYR 28 CO 0.02 0.00 -0.09 -0.09 -1.64 0.00 0.00 178.16 176.36 1pd7 h ARG 29 N 0.00 -0.24 0.00 1.82 1.12 -1.66 -3.41 114.38 112.01 1pd7 h ARG 29 Ca 0.00 0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.77 1pd7 h ARG 29 Cb 0.23 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 1pd7 h ARG 29 CO 0.00 -0.16 -0.56 1.03 -3.11 0.00 0.00 179.97 177.17 1pd7 h SER 30 N -1.04 0.00 0.02 -3.80 0.87 -1.27 -3.05 113.55 105.28 1pd7 h SER 30 Ca -0.03 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1pd7 h SER 30 Cb 0.19 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1pd7 h SER 30 CO 0.04 0.56 -0.30 0.15 -0.53 0.00 0.00 176.83 176.75 1pd7 h PHE 31 N 0.00 -0.81 -0.23 2.24 3.57 -1.02 -2.93 116.94 117.75 1pd7 h PHE 31 Ca -0.01 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1pd7 h PHE 31 Cb 1.43 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 40.52 1pd7 h PHE 31 CO 0.00 -0.39 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.10 1pd7 h LEU 32 N -0.46 0.74 -0.83 0.59 3.38 -1.77 -2.90 115.31 114.07 1pd7 h LEU 32 Ca 0.06 -0.38 0.21 0.00 0.09 0.00 0.00 57.88 57.85 1pd7 h LEU 32 Cb 0.53 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 1pd7 h LEU 32 CO -0.24 1.12 0.08 -0.33 0.09 0.00 0.00 178.44 179.16 1pd7 h GLU 33 N 0.52 0.12 -0.46 1.13 4.39 -1.52 0.17 114.58 118.93 1pd7 h GLU 33 Ca 0.02 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1pd7 h GLU 33 Cb 1.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1pd7 h GLU 33 CO 0.11 0.08 0.18 0.82 -1.16 0.00 0.00 179.01 179.04 1pd7 h ILE 34 N 0.12 1.21 -0.77 3.13 2.04 -1.32 -2.00 117.51 119.93 1pd7 h ILE 34 Ca 0.48 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1pd7 h ILE 34 Cb 0.91 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1pd7 h ILE 34 CO -0.70 0.24 0.36 -0.07 0.00 0.00 0.00 178.15 177.98 1pd7 h LEU 35 N 0.60 1.00 -1.53 1.44 3.38 -1.29 -2.43 115.31 116.48 1pd7 h LEU 35 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 35 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pd7 h LEU 35 CO -0.01 0.85 0.14 0.45 0.09 0.00 0.00 178.44 179.96 1pd7 h HIS 36 N 1.09 0.44 -0.28 1.13 3.86 -0.49 -1.88 115.15 119.03 1pd7 h HIS 36 Ca 0.26 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.55 1pd7 h HIS 36 Cb 0.12 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1pd7 h HIS 36 CO 0.01 0.35 0.27 1.15 0.86 0.00 0.00 177.93 180.57 1pd7 h THR 37 N 0.45 0.52 0.00 2.45 2.02 -0.84 0.11 112.91 117.62 1pd7 h THR 37 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1pd7 h THR 37 Cb 0.08 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1pd7 h THR 37 CO -0.01 0.00 -0.01 0.22 0.37 0.00 0.00 175.52 176.09 1pd7 h TYR 38 N 0.00 0.00 0.00 3.16 3.20 -1.42 -3.42 116.97 118.49 1pd7 h TYR 38 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1pd7 h TYR 38 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1pd7 h TYR 38 CO 0.00 0.05 0.00 -0.56 -1.64 0.00 0.00 178.16 176.01 1pd7 h GLN 39 N -1.00 0.00 -1.00 1.82 -0.00 -0.75 -3.35 115.11 110.83 1pd7 h GLN 39 Ca -0.00 0.00 0.41 0.00 -0.00 0.00 0.00 58.65 59.06 1pd7 h GLN 39 Cb 0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 27.37 1pd7 h GLN 39 CO -0.00 0.00 0.56 0.36 -0.00 0.00 0.00 178.83 179.75 1pd7 n LYS 40 N -2.44 -0.05 -0.06 0.06 2.85 0.29 -1.34 118.16 117.46 1pd7 n LYS 40 Ca 0.04 1.29 0.25 0.00 -1.05 0.00 0.00 58.31 58.84 1pd7 n LYS 40 Cb 0.40 -2.36 0.72 0.00 -0.65 0.00 0.00 35.03 33.15 1pd7 n LYS 40 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1pd7 h GLU 41 N 0.00 0.00 0.00 -1.58 -0.00 -1.85 -2.32 114.58 108.83 1pd7 h GLU 41 Ca 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 60.13 1pd7 h GLU 41 Cb 2.22 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.96 1pd7 h GLU 41 CO -0.69 0.00 -0.28 0.37 -0.00 0.00 0.00 179.01 178.41 1pd7 h GLN 42 N 0.00 0.00 -0.40 1.06 4.15 -1.53 -3.25 115.11 115.14 1pd7 h GLN 42 Ca 0.32 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 1pd7 h GLN 42 Cb 1.43 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.10 1pd7 h GLN 42 CO -0.00 0.16 0.25 -0.07 -1.93 0.00 0.00 178.83 177.23 1pd7 h LEU 43 N 0.00 0.47 -5.42 -2.39 3.38 -1.60 -2.73 115.31 107.02 1pd7 h LEU 43 Ca -0.01 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 1pd7 h LEU 43 Cb 1.14 -0.12 -0.42 0.00 0.09 0.00 0.00 40.66 41.35 1pd7 h LEU 43 CO 0.02 0.38 -0.71 0.00 0.09 0.00 0.00 178.44 178.22 1pd7 n HIS 44 N -4.78 3.55 -2.85 1.13 1.44 -1.26 -5.08 115.22 107.37 1pd7 n HIS 44 Ca 0.00 -3.98 -0.36 0.00 -2.01 0.00 0.00 57.72 51.37 1pd7 n HIS 44 Cb 0.05 -0.48 -0.06 0.00 0.12 0.00 0.00 29.99 29.61 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1pd7 s THR 45 N -4.12 4.32 0.00 0.61 -1.32 -1.03 -5.02 115.64 109.08 1pd7 s THR 45 Ca 0.47 1.63 0.00 0.00 -1.21 0.00 0.00 61.69 62.59 1pd7 s THR 45 Cb 0.28 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 67.39 1pd7 s THR 45 CO -0.13 0.04 0.00 0.29 -2.21 0.00 0.00 174.62 172.61 1pd7 n LYS 46 N 0.29 0.00 -1.21 7.08 5.02 -1.26 -4.99 118.16 123.10 1pd7 n LYS 46 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 1pd7 n LYS 46 Cb 0.51 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.69 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd7 n GLY 47 N 1.99 4.78 3.86 0.72 0.00 -1.26 -4.95 105.19 110.33 1pd7 n GLY 47 Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1pd7 n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pd7 s ARG 48 N -3.38 3.85 0.92 1.61 1.70 -1.26 -5.09 118.95 117.30 1pd7 s ARG 48 Ca 0.57 0.60 -0.12 0.00 -0.47 0.00 0.00 55.73 56.30 1pd7 s ARG 48 Cb 0.47 -2.34 0.14 0.00 -0.57 0.00 0.00 34.95 32.66 1pd7 s ARG 48 CO 0.08 -0.06 1.12 -1.25 -1.08 0.00 0.00 175.30 174.11 1pd7 s PRO 49 N -3.78 1.05 0.20 3.89 0.04 -1.26 -5.02 135.00 130.11 1pd7 s PRO 49 Ca 0.53 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1pd7 s PRO 49 Cb -0.10 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1pd7 s PRO 49 CO 0.29 -2.28 1.19 0.12 0.04 0.00 0.00 177.00 176.36 1pd7 s PHE 50 N -3.20 3.44 0.00 0.56 5.36 -1.26 -5.02 117.98 117.86 1pd7 s PHE 50 Ca 0.64 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 1pd7 s PHE 50 Cb -0.16 -3.42 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1pd7 s PHE 50 CO 0.54 -1.13 0.00 0.54 -1.46 0.00 0.00 175.22 173.71 1pd7 n ARG 51 N 2.33 0.00 0.00 10.12 5.12 -1.26 -5.07 116.66 127.89 1pd7 n ARG 51 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1pd7 n ARG 51 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pd7 n GLY 52 N 4.48 0.05 0.00 -0.13 0.00 -1.26 -5.04 105.19 103.29 1pd7 n GLY 52 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1pd7 n GLY 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pd7 n MET 53 N 0.00 0.00 -3.00 1.61 0.00 -1.26 -5.04 117.12 109.43 1pd7 n MET 53 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1pd7 n MET 53 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1pd7 s SER 54 N 1.83 6.78 0.55 3.17 0.01 -1.26 -4.95 113.70 119.83 1pd7 s SER 54 Ca 0.00 0.96 0.23 0.00 1.31 0.00 0.00 55.95 58.44 1pd7 s SER 54 Cb 0.00 -2.40 1.52 0.00 0.21 0.00 0.00 66.02 65.35 1pd7 s SER 54 CO 0.00 -0.38 2.17 -0.33 0.41 0.00 0.00 173.24 175.11 1pd7 h GLU 55 N 7.55 0.00 -0.15 12.44 3.07 -2.01 -0.15 114.58 135.33 1pd7 h GLU 55 Ca -0.28 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.62 1pd7 h GLU 55 Cb 1.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1pd7 h GLU 55 CO 0.81 0.00 0.12 0.93 -1.40 0.00 0.00 179.01 179.48 1pd7 h GLU 56 N 0.00 0.00 0.10 2.33 5.08 -1.99 -3.18 114.58 116.92 1pd7 h GLU 56 Ca 0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1pd7 h GLU 56 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1pd7 h GLU 56 CO -0.00 0.00 -1.43 1.05 -1.00 0.00 0.00 179.01 177.63 1pd7 h GLU 57 N 0.00 0.21 -0.66 2.33 4.11 -1.42 0.88 114.58 120.02 1pd7 h GLU 57 Ca 0.07 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 1pd7 h GLU 57 Cb 0.31 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1pd7 h GLU 57 CO -0.00 1.08 0.30 -0.24 0.07 0.00 0.00 179.01 180.22 1pd7 h VAL 58 N 0.06 1.23 0.26 -1.06 3.04 -1.61 -0.31 116.25 117.86 1pd7 h VAL 58 Ca -0.20 -0.66 -0.01 0.00 -1.01 0.00 0.00 66.70 64.82 1pd7 h VAL 58 Cb 1.98 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1pd7 h VAL 58 CO 0.16 0.27 -0.13 0.15 -1.01 0.00 0.00 177.57 177.01 1pd7 h PHE 59 N 0.92 -0.34 -0.72 3.17 3.57 -1.56 -2.98 116.94 119.01 1pd7 h PHE 59 Ca 0.23 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1pd7 h PHE 59 Cb 0.14 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1pd7 h PHE 59 CO 0.01 -0.21 0.38 0.00 -2.23 0.00 0.00 178.31 176.25 1pd7 h THR 60 N -0.36 0.89 -0.12 4.41 1.03 -0.15 -1.65 112.91 116.96 1pd7 h THR 60 Ca -0.03 -0.23 -0.15 0.00 -0.01 0.00 0.00 66.41 66.00 1pd7 h THR 60 Cb 0.28 0.18 0.01 0.00 -1.07 0.00 0.00 68.15 67.55 1pd7 h THR 60 CO 0.05 0.12 -0.49 -0.33 -0.01 0.00 0.00 175.52 174.86 1pd7 h GLU 61 N 0.66 0.54 -0.62 0.00 5.08 -1.14 -3.05 114.58 116.05 1pd7 h GLU 61 Ca 0.34 -0.43 0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1pd7 h GLU 61 Cb 0.31 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1pd7 h GLU 61 CO -0.24 1.05 0.43 0.28 -1.00 0.00 0.00 179.01 179.53 1pd7 h VAL 62 N 0.15 0.80 -0.14 3.13 2.07 -1.37 -2.69 116.25 118.21 1pd7 h VAL 62 Ca -0.03 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1pd7 h VAL 62 Cb 1.13 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1pd7 h VAL 62 CO 0.10 0.05 -0.18 0.00 0.02 0.00 0.00 177.57 177.56 1pd7 h ALA 63 N 1.70 1.45 0.00 1.67 0.00 -1.18 -1.55 119.26 121.34 1pd7 h ALA 63 Ca 0.30 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1pd7 h ALA 63 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pd7 h ALA 63 CO -0.06 0.39 -0.51 -0.91 0.00 0.00 0.00 179.25 178.16 1pd7 h ASN 64 N 0.22 0.00 -0.24 0.00 2.35 -1.55 0.62 115.58 116.97 1pd7 h ASN 64 Ca 0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1pd7 h ASN 64 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1pd7 h ASN 64 CO 0.03 0.51 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.80 1pd7 h LEU 65 N 0.00 0.81 0.00 1.61 4.07 -1.43 -3.33 115.31 117.04 1pd7 h LEU 65 Ca -0.01 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1pd7 h LEU 65 Cb 1.01 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1pd7 h LEU 65 CO 0.07 1.19 -1.15 0.49 -1.08 0.00 0.00 178.44 177.96 1pd7 n PHE 66 N -4.16 0.60 -1.31 1.13 3.01 -0.75 -4.98 117.46 111.00 1pd7 n PHE 66 Ca -0.05 0.17 -0.51 0.00 1.01 0.00 0.00 57.45 58.07 1pd7 n PHE 66 Cb 0.57 -0.73 -0.07 0.00 -0.01 0.00 0.00 39.48 39.24 1pd7 n PHE 66 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1pd7 n ARG 67 N -2.38 0.00 0.00 -1.08 0.00 0.19 -1.94 116.66 111.45 1pd7 n ARG 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1pd7 n ARG 67 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.78 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pd7 n GLY 68 N 2.29 3.41 3.40 5.14 0.00 -1.26 -5.04 105.19 113.13 1pd7 n GLY 68 Ca 0.21 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 1pd7 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pd7 s GLN 69 N 0.00 3.07 0.20 1.61 -0.21 -0.82 -4.89 119.66 118.62 1pd7 s GLN 69 Ca 0.00 -1.18 0.14 0.00 0.02 0.00 0.00 55.36 54.34 1pd7 s GLN 69 Cb 0.00 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.77 1pd7 s GLN 69 CO 0.00 -1.39 1.28 0.93 -2.12 0.00 0.00 175.29 173.99 1pd7 h GLU 70 N 9.09 0.00 0.00 2.91 4.39 -1.96 -3.39 114.58 125.62 1pd7 h GLU 70 Ca -0.29 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1pd7 h GLU 70 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1pd7 h GLU 70 CO 1.04 0.57 -0.10 0.38 -1.16 0.00 0.00 179.01 179.74 1pd7 h ASP 71 N 0.00 0.00 0.21 1.42 2.03 -1.99 -0.76 116.42 117.33 1pd7 h ASP 71 Ca -0.04 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.25 1pd7 h ASP 71 Cb 1.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 1pd7 h ASP 71 CO 0.08 0.10 -0.10 -0.07 -1.03 0.00 0.00 179.24 178.21 1pd7 h LEU 72 N 0.00 -0.24 -2.47 0.15 3.38 -2.00 -3.32 115.31 110.81 1pd7 h LEU 72 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1pd7 h LEU 72 Cb 0.52 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pd7 h LEU 72 CO 0.01 0.29 -0.03 -0.07 0.09 0.00 0.00 178.44 178.74 1pd7 h LEU 73 N -0.99 0.00 0.32 1.67 -0.00 -1.65 -1.22 115.31 113.44 1pd7 h LEU 73 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1pd7 h LEU 73 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1pd7 h LEU 73 CO 0.05 0.03 -0.24 -1.28 -0.00 0.00 0.00 178.44 176.99 1pd7 h SER 74 N 0.00 -0.62 1.60 -0.43 0.87 -1.28 -3.09 113.55 110.61 1pd7 h SER 74 Ca -0.00 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1pd7 h SER 74 Cb 0.12 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1pd7 h SER 74 CO 0.00 -0.37 -0.40 -0.33 -0.53 0.00 0.00 176.83 175.21 1pd7 h GLU 75 N -0.56 0.00 -0.06 2.24 5.08 -1.50 -3.31 114.58 116.47 1pd7 h GLU 75 Ca -0.02 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pd7 h GLU 75 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pd7 h GLU 75 CO -0.00 0.32 0.14 0.35 -1.00 0.00 0.00 179.01 178.82 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.16 -1.08 116.94 122.60 1pd7 h PHE 76 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1pd7 h PHE 76 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1pd7 h PHE 76 CO 0.00 0.00 0.16 0.78 -2.23 0.00 0.00 178.31 177.02 1pd7 h GLY 77 N 0.00 0.00 2.00 2.40 0.00 -1.65 -2.14 103.07 103.68 1pd7 h GLY 77 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1pd7 h GLY 77 CO -0.00 0.00 -0.26 0.06 0.00 0.00 0.00 176.54 176.34 1pd7 h GLN 78 N 0.00 0.00 0.00 4.80 3.07 -1.48 -3.01 115.11 118.49 1pd7 h GLN 78 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 1pd7 h GLN 78 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 1pd7 h GLN 78 CO 0.00 0.26 -0.64 0.74 0.09 0.00 0.00 178.83 179.29 1pd7 h PHE 79 N 0.00 0.00 -2.57 0.06 0.04 -1.62 -3.46 116.94 109.39 1pd7 h PHE 79 Ca -0.00 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.30 1pd7 h PHE 79 Cb 0.49 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.65 1pd7 h PHE 79 CO 0.00 0.34 -0.21 -0.51 -0.60 0.00 0.00 178.31 177.33 1pd7 s LEU 80 N -6.12 3.92 0.79 1.54 1.43 -1.14 -5.08 118.68 114.02 1pd7 s LEU 80 Ca 0.03 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1pd7 s LEU 80 Cb 0.07 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 43.23 1pd7 s LEU 80 CO 0.75 -0.43 1.08 -2.84 0.23 0.00 0.00 176.35 175.15 1pd7 s PRO 81 N -4.34 2.16 -0.13 1.29 0.02 -1.26 -4.92 135.00 127.82 1pd7 s PRO 81 Ca 0.43 0.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.31 1pd7 s PRO 81 Cb -0.10 -1.91 -0.25 0.00 0.02 0.00 0.00 34.50 32.27 1pd7 s PRO 81 CO 0.35 -1.64 0.32 -0.85 -0.33 0.00 0.00 177.00 174.85 1pd7 n GLU 82 N -3.48 0.74 0.00 5.54 0.28 -1.26 -5.03 120.64 117.42 1pd7 n GLU 82 Ca 0.08 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1pd7 n GLU 82 Cb 0.54 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pd7 n ALA 83 N -2.99 0.00 -1.23 -1.84 0.00 -1.26 -5.11 120.51 108.07 1pd7 n ALA 83 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1pd7 n ALA 83 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pd7 n LYS 84 N 0.00 0.00 0.00 0.00 4.01 -1.26 -5.22 118.16 115.69 1pd7 n LYS 84 Ca 0.00 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 57.93 1pd7 n LYS 84 Cb 0.00 0.00 0.40 0.00 -0.51 0.00 0.00 35.03 34.92 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83