#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd7 s SER 2 N 0.00 -0.94 -0.27 1.62 1.04 -1.26 -5.13 113.70 108.76 1pd7 s SER 2 Ca 0.00 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1pd7 s SER 2 Cb 0.00 1.40 0.08 0.00 0.10 0.00 0.00 66.02 67.61 1pd7 s SER 2 CO 0.00 -0.24 0.04 -1.81 0.98 0.00 0.00 173.24 172.21 1pd7 s ASP 3 N 1.69 3.91 -0.15 7.02 1.01 -1.26 -4.99 116.67 123.90 1pd7 s ASP 3 Ca -0.10 -1.45 -0.01 0.00 0.71 0.00 0.00 52.55 51.70 1pd7 s ASP 3 Cb -0.06 -1.03 0.00 0.00 1.01 0.00 0.00 42.92 42.85 1pd7 s ASP 3 CO -0.20 -0.34 0.02 -1.20 0.21 0.00 0.00 175.17 173.66 1pd7 n SER 4 N 4.74 -6.85 0.01 0.27 7.64 -1.26 -4.93 113.62 113.24 1pd7 n SER 4 Ca -0.05 0.98 -0.12 0.00 1.01 0.00 0.00 58.87 60.70 1pd7 n SER 4 Cb 0.43 -3.57 -0.09 0.00 -1.01 0.00 0.00 64.21 59.97 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 3.49 1.16 0.00 0.44 2.07 -2.00 -3.18 116.25 118.23 1pd7 h VAL 5 Ca -0.04 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1pd7 h VAL 5 Cb 0.50 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1pd7 h VAL 5 CO 0.05 0.32 0.00 -0.33 0.02 0.00 0.00 177.57 177.62 1pd7 h GLU 6 N -0.81 0.00 -0.50 1.57 3.07 -1.97 -0.37 114.58 115.57 1pd7 h GLU 6 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1pd7 h GLU 6 Cb 0.60 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 1pd7 h GLU 6 CO 0.02 0.00 0.29 0.35 -1.40 0.00 0.00 179.01 178.27 1pd7 h PHE 7 N 0.00 0.54 0.00 4.33 3.57 -1.93 0.01 116.94 123.47 1pd7 h PHE 7 Ca 0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1pd7 h PHE 7 Cb 0.47 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1pd7 h PHE 7 CO 0.00 0.31 -0.73 -0.91 -2.23 0.00 0.00 178.31 174.75 1pd7 h ASN 8 N 0.58 0.00 0.39 0.41 2.35 -1.12 0.13 115.58 118.32 1pd7 h ASN 8 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1pd7 h ASN 8 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1pd7 h ASN 8 CO -0.10 0.73 -0.51 0.78 -1.65 0.00 0.00 177.43 176.68 1pd7 h ASN 9 N 0.00 0.15 -0.20 5.81 2.35 -1.08 0.92 115.58 123.53 1pd7 h ASN 9 Ca -0.01 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1pd7 h ASN 9 Cb 1.37 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 1pd7 h ASN 9 CO 0.09 0.64 -0.02 0.00 -1.65 0.00 0.00 177.43 176.49 1pd7 h ALA 10 N 1.37 0.27 -0.27 -0.83 0.00 -0.64 -2.28 119.26 116.88 1pd7 h ALA 10 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1pd7 h ALA 10 Cb 0.94 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1pd7 h ALA 10 CO 0.07 0.01 -0.13 0.82 0.00 0.00 0.00 179.25 180.02 1pd7 h ILE 11 N 0.10 0.59 -0.86 0.00 1.08 -0.49 -1.15 117.51 116.79 1pd7 h ILE 11 Ca 0.05 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.68 1pd7 h ILE 11 Cb 0.44 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 1pd7 h ILE 11 CO 0.01 0.00 0.56 0.28 -0.69 0.00 0.00 178.15 178.31 1pd7 h SER 12 N -0.10 0.53 0.25 1.72 0.02 -0.84 0.24 113.55 115.37 1pd7 h SER 12 Ca 0.14 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1pd7 h SER 12 Cb 0.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1pd7 h SER 12 CO -0.33 0.26 -0.12 0.22 -1.14 0.00 0.00 176.83 175.72 1pd7 h TYR 13 N 0.56 -0.31 -0.81 3.45 3.20 -0.69 -2.49 116.97 119.88 1pd7 h TYR 13 Ca 0.43 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.31 1pd7 h TYR 13 Cb 0.86 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1pd7 h TYR 13 CO -0.00 0.05 0.54 0.28 -1.64 0.00 0.00 178.16 177.39 1pd7 h VAL 14 N -0.91 1.20 -0.50 1.81 2.07 -0.88 -1.14 116.25 117.89 1pd7 h VAL 14 Ca -0.03 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1pd7 h VAL 14 Cb 0.50 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1pd7 h VAL 14 CO 0.06 0.20 0.20 -1.13 0.02 0.00 0.00 177.57 176.92 1pd7 h ASN 15 N 1.09 0.24 -0.35 0.57 -0.73 -0.63 0.19 115.58 115.97 1pd7 h ASN 15 Ca 0.30 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.45 1pd7 h ASN 15 Cb -0.12 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1pd7 h ASN 15 CO -0.07 0.17 -0.03 0.11 -0.37 0.00 0.00 177.43 177.24 1pd7 h LYS 16 N 0.40 0.74 -0.02 6.67 1.57 -0.83 0.30 116.57 125.40 1pd7 h LYS 16 Ca 0.24 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pd7 h LYS 16 Cb 0.22 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1pd7 h LYS 16 CO -0.22 0.77 0.01 0.82 -0.57 0.00 0.00 179.45 180.26 1pd7 h ILE 17 N 0.69 1.06 -0.49 1.86 2.04 -0.94 0.77 117.51 122.50 1pd7 h ILE 17 Ca 0.13 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1pd7 h ILE 17 Cb 0.47 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1pd7 h ILE 17 CO 0.02 0.05 0.18 0.07 0.00 0.00 0.00 178.15 178.47 1pd7 h LYS 18 N -0.04 0.71 0.16 2.37 2.10 -0.41 -0.47 116.57 120.98 1pd7 h LYS 18 Ca 0.01 -0.11 -0.30 0.00 -2.00 0.00 0.00 60.65 58.25 1pd7 h LYS 18 Cb 0.07 -0.13 0.02 0.00 -0.90 0.00 0.00 32.23 31.29 1pd7 h LYS 18 CO -0.00 0.60 -1.29 1.15 -2.00 0.00 0.00 179.45 177.90 1pd7 h THR 19 N 0.70 1.35 0.16 0.07 2.02 -0.79 -3.32 112.91 113.10 1pd7 h THR 19 Ca 0.17 -2.70 -0.28 0.00 0.77 0.00 0.00 66.41 64.37 1pd7 h THR 19 Cb 0.16 2.85 0.03 0.00 -1.74 0.00 0.00 68.15 69.45 1pd7 h THR 19 CO -0.01 0.81 -1.19 0.03 0.37 0.00 0.00 175.52 175.52 1pd7 h ARG 20 N 0.18 0.53 -1.77 6.66 2.47 -0.73 -3.33 114.38 118.38 1pd7 h ARG 20 Ca -0.19 -0.78 -0.37 0.00 -1.26 0.00 0.00 59.98 57.38 1pd7 h ARG 20 Cb 1.98 0.27 -0.14 0.00 -1.65 0.00 0.00 29.97 30.43 1pd7 h ARG 20 CO 0.23 1.36 0.32 1.19 0.56 0.00 0.00 179.97 183.64 1pd7 n PHE 21 N -3.87 1.38 0.10 3.04 3.72 -0.20 -4.13 117.46 117.50 1pd7 n PHE 21 Ca -0.14 -1.88 -0.05 0.00 -0.05 0.00 0.00 57.45 55.32 1pd7 n PHE 21 Cb 0.97 -1.17 0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 3.32 0.14 -1.06 4.37 3.38 -1.68 -2.61 115.31 121.17 1pd7 h LEU 22 Ca 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1pd7 h LEU 22 Cb 0.89 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pd7 h LEU 22 CO 0.74 0.84 0.00 0.44 0.09 0.00 0.00 178.44 180.54 1pd7 h ASP 23 N 0.07 0.00 -2.14 -0.43 3.32 -1.90 -3.35 116.42 111.99 1pd7 h ASP 23 Ca -0.02 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 1pd7 h ASP 23 Cb 1.32 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.46 1pd7 h ASP 23 CO 0.11 0.00 -0.80 1.41 -1.72 0.00 0.00 179.24 178.24 1pd7 n HIS 24 N -2.90 2.34 0.53 4.55 8.25 -0.99 -4.95 115.22 122.05 1pd7 n HIS 24 Ca 0.02 -3.94 0.10 0.00 -0.26 0.00 0.00 57.72 53.64 1pd7 n HIS 24 Cb 0.33 -0.48 0.42 0.00 1.12 0.00 0.00 29.99 31.38 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 0.73 0.09 0.27 -0.41 -0.04 -1.19 -1.68 135.00 132.77 1pd7 n PRO 25 Ca 0.27 0.28 0.16 0.00 -0.04 0.00 0.00 63.50 64.17 1pd7 n PRO 25 Cb 0.46 -1.66 0.67 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.13 0.54 4.11 -1.92 -3.17 114.58 114.00 1pd7 h GLU 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1pd7 h GLU 26 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1pd7 h GLU 26 CO 0.00 0.03 0.03 0.82 0.07 0.00 0.00 179.01 179.96 1pd7 h ILE 27 N 0.00 1.20 -0.81 -1.06 5.03 -1.65 -1.30 117.51 118.92 1pd7 h ILE 27 Ca -0.00 -0.63 0.18 0.00 -0.12 0.00 0.00 64.86 64.29 1pd7 h ILE 27 Cb 0.53 1.37 -0.12 0.00 -3.03 0.00 0.00 36.82 35.58 1pd7 h ILE 27 CO 0.00 0.19 0.27 0.22 -0.68 0.00 0.00 178.15 178.16 1pd7 h TYR 28 N 0.01 0.44 0.01 1.37 3.20 -1.72 0.88 116.97 121.16 1pd7 h TYR 28 Ca 0.04 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1pd7 h TYR 28 Cb 0.26 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1pd7 h TYR 28 CO 0.01 -0.06 -0.23 0.00 -1.64 0.00 0.00 178.16 176.24 1pd7 h ARG 29 N 0.34 0.14 -0.09 1.82 3.08 -1.65 -3.36 114.38 114.66 1pd7 h ARG 29 Ca 0.48 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 1pd7 h ARG 29 Cb 0.85 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1pd7 h ARG 29 CO -0.52 0.93 -0.53 0.77 -1.07 0.00 0.00 179.97 179.56 1pd7 h SER 30 N -0.58 0.27 -0.15 7.04 0.02 -0.78 -2.72 113.55 116.66 1pd7 h SER 30 Ca -0.03 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1pd7 h SER 30 Cb 1.01 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 1pd7 h SER 30 CO 0.04 0.75 -0.38 0.15 -1.14 0.00 0.00 176.83 176.26 1pd7 h PHE 31 N 0.20 -1.07 -0.38 3.45 3.57 -1.01 -1.88 116.94 119.82 1pd7 h PHE 31 Ca 0.00 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1pd7 h PHE 31 Cb 1.00 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 1pd7 h PHE 31 CO 0.02 -0.44 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.26 1pd7 h LEU 32 N -0.44 0.90 -0.92 0.59 3.38 -1.70 -2.77 115.31 114.36 1pd7 h LEU 32 Ca 0.09 -0.38 0.19 0.00 0.09 0.00 0.00 57.88 57.87 1pd7 h LEU 32 Cb 0.59 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1pd7 h LEU 32 CO -0.39 1.15 0.48 -0.08 0.09 0.00 0.00 178.44 179.69 1pd7 h GLU 33 N 0.72 0.57 -0.08 1.13 4.22 -1.25 0.37 114.58 120.26 1pd7 h GLU 33 Ca 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1pd7 h GLU 33 Cb 0.89 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 33 CO 0.08 0.38 0.03 0.82 -2.18 0.00 0.00 179.01 178.13 1pd7 h ILE 34 N 0.59 1.16 -0.03 2.32 2.04 -1.14 -2.99 117.51 119.47 1pd7 h ILE 34 Ca 0.54 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1pd7 h ILE 34 Cb 0.90 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1pd7 h ILE 34 CO -0.43 0.14 -0.08 -0.07 0.00 0.00 0.00 178.15 177.71 1pd7 h LEU 35 N -0.05 0.03 -1.07 1.44 3.38 -0.99 -1.60 115.31 116.44 1pd7 h LEU 35 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 35 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1pd7 h LEU 35 CO -0.00 0.12 0.00 0.45 0.09 0.00 0.00 178.44 179.10 1pd7 h HIS 36 N 0.04 0.00 0.08 1.13 3.86 -0.21 0.26 115.15 120.31 1pd7 h HIS 36 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pd7 h HIS 36 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1pd7 h HIS 36 CO 0.00 0.00 -0.04 1.15 0.86 0.00 0.00 177.93 179.90 1pd7 h THR 37 N 0.00 1.05 0.76 2.45 2.02 -1.14 -3.20 112.91 114.85 1pd7 h THR 37 Ca 0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1pd7 h THR 37 Cb 0.34 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1pd7 h THR 37 CO 0.00 0.11 -0.37 0.22 0.37 0.00 0.00 175.52 175.86 1pd7 h TYR 38 N -0.31 -0.95 0.00 3.16 3.20 -1.41 -3.36 116.97 117.30 1pd7 h TYR 38 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1pd7 h TYR 38 Cb 0.27 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1pd7 h TYR 38 CO -0.01 -0.59 0.00 0.37 -1.64 0.00 0.00 178.16 176.29 1pd7 h GLN 39 N -1.24 0.00 -0.98 1.82 -0.00 -0.65 -3.29 115.11 110.77 1pd7 h GLN 39 Ca -0.10 0.00 0.41 0.00 -0.00 0.00 0.00 58.65 58.95 1pd7 h GLN 39 Cb 0.79 0.00 -0.17 0.00 0.00 0.00 0.00 27.48 28.09 1pd7 h GLN 39 CO 0.17 0.00 0.53 1.17 0.00 0.00 0.00 178.83 180.71 1pd7 n LYS 40 N -3.02 -0.06 -0.31 1.69 4.81 -1.21 -0.10 118.16 119.96 1pd7 n LYS 40 Ca -0.00 1.32 0.23 0.00 -0.87 0.00 0.00 58.31 58.99 1pd7 n LYS 40 Cb 0.23 -2.39 0.52 0.00 0.02 0.00 0.00 35.03 33.41 1pd7 n LYS 40 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1pd7 h GLU 41 N 0.00 0.37 0.00 1.64 4.39 -1.86 -3.46 114.58 115.66 1pd7 h GLU 41 Ca 0.82 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.50 1pd7 h GLU 41 Cb 2.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1pd7 h GLU 41 CO -0.73 0.24 0.00 0.94 -1.16 0.00 0.00 179.01 178.30 1pd7 n GLN 42 N -4.58 0.00 -3.65 2.33 -0.06 0.86 -4.15 117.38 108.13 1pd7 n GLN 42 Ca 0.24 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 55.03 1pd7 n GLN 42 Cb 0.86 -3.01 0.05 0.00 -4.06 0.00 0.00 30.24 24.08 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pd7 n LEU 43 N 0.00 -3.29 -0.11 1.69 4.77 -1.26 -4.93 117.00 113.87 1pd7 n LEU 43 Ca 0.00 -0.76 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 1pd7 n LEU 43 Cb 0.00 -2.78 -0.07 0.00 -2.33 0.00 0.00 43.42 38.24 1pd7 n LEU 43 CO 0.00 0.42 -1.21 1.41 -1.33 0.00 0.00 177.39 176.68 1pd7 n HIS 44 N -4.30 0.00 -2.61 -1.77 8.25 -1.26 -5.00 115.22 108.53 1pd7 n HIS 44 Ca -0.26 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.99 1pd7 n HIS 44 Cb 0.66 -0.75 0.04 0.00 1.12 0.00 0.00 29.99 31.06 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1pd7 s THR 45 N -2.41 2.62 -0.04 1.59 -1.32 -1.26 -5.12 115.64 109.70 1pd7 s THR 45 Ca -0.30 -0.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1pd7 s THR 45 Cb 0.11 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1pd7 s THR 45 CO 0.37 0.00 -0.13 -0.75 -2.21 0.00 0.00 174.62 171.91 1pd7 s LYS 46 N -4.81 1.42 0.00 7.08 2.47 -1.26 -5.04 119.74 119.61 1pd7 s LYS 46 Ca 0.58 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.56 1pd7 s LYS 46 Cb -0.10 -1.25 0.00 0.00 -1.46 0.00 0.00 37.83 35.02 1pd7 s LYS 46 CO 0.39 0.13 0.00 0.41 0.16 0.00 0.00 175.35 176.44 1pd7 n GLY 47 N 3.38 -2.15 3.60 5.54 0.00 -1.26 -5.16 105.19 109.14 1pd7 n GLY 47 Ca -0.19 0.83 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 2.15 -0.25 1.61 1.70 -1.26 -5.08 118.95 117.82 1pd7 s ARG 48 Ca 0.00 -1.29 -0.29 0.00 -0.47 0.00 0.00 55.73 53.68 1pd7 s ARG 48 Cb 0.00 -2.18 -0.02 0.00 -0.57 0.00 0.00 34.95 32.18 1pd7 s ARG 48 CO 0.00 0.42 1.52 -2.14 -1.08 0.00 0.00 175.30 174.02 1pd7 s PRO 49 N -3.04 3.83 -0.06 3.89 0.02 -1.26 -4.99 135.00 133.39 1pd7 s PRO 49 Ca 0.27 1.53 -0.21 0.00 0.02 0.00 0.00 61.00 62.62 1pd7 s PRO 49 Cb -0.08 -3.99 0.04 0.00 0.02 0.00 0.00 34.50 30.49 1pd7 s PRO 49 CO 0.17 -1.25 0.47 0.12 -0.33 0.00 0.00 177.00 176.18 1pd7 s PHE 50 N 4.97 -0.41 0.00 6.54 5.36 -1.26 -5.01 117.98 128.17 1pd7 s PHE 50 Ca 0.67 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1pd7 s PHE 50 Cb -0.22 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 1pd7 s PHE 50 CO 0.27 -0.44 0.00 0.54 -1.46 0.00 0.00 175.22 174.13 1pd7 n ARG 51 N 1.44 0.00 -0.37 10.12 1.74 -1.26 -4.45 116.66 123.88 1pd7 n ARG 51 Ca -0.19 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.91 1pd7 n ARG 51 Cb 0.56 -0.09 0.15 0.00 -1.02 0.00 0.00 32.46 32.06 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pd7 n GLY 52 N 0.00 2.16 7.00 -0.13 0.00 -1.26 -4.73 105.19 108.23 1pd7 n GLY 52 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.21 0.00 -4.31 1.61 0.00 -1.26 -4.61 117.12 108.76 1pd7 n MET 53 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.48 1pd7 n MET 53 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.78 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1pd7 s SER 54 N -4.00 5.22 0.48 3.17 1.04 -1.26 -5.00 113.70 113.34 1pd7 s SER 54 Ca 0.00 0.07 0.31 0.00 0.48 0.00 0.00 55.95 56.82 1pd7 s SER 54 Cb 0.00 -1.42 1.29 0.00 0.10 0.00 0.00 66.02 65.99 1pd7 s SER 54 CO 0.00 0.32 1.92 -0.33 0.98 0.00 0.00 173.24 176.14 1pd7 h GLU 55 N 4.68 0.00 -0.47 4.02 5.08 -2.01 -1.49 114.58 124.38 1pd7 h GLU 55 Ca -0.50 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1pd7 h GLU 55 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1pd7 h GLU 55 CO 0.56 0.00 0.31 0.93 -1.00 0.00 0.00 179.01 179.82 1pd7 h GLU 56 N 0.00 0.52 0.17 2.33 4.39 -1.98 -2.60 114.58 117.42 1pd7 h GLU 56 Ca 0.00 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.34 1pd7 h GLU 56 Cb 0.47 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1pd7 h GLU 56 CO 0.00 0.35 -1.61 1.05 -1.16 0.00 0.00 179.01 177.64 1pd7 h GLU 57 N 0.54 0.35 -0.88 2.33 4.11 -1.69 0.00 114.58 119.35 1pd7 h GLU 57 Ca 0.19 -0.60 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1pd7 h GLU 57 Cb 0.08 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 57 CO -0.05 1.25 0.47 -0.24 0.07 0.00 0.00 179.01 180.51 1pd7 h VAL 58 N 0.10 1.26 0.08 -1.06 3.04 -1.62 -1.81 116.25 116.24 1pd7 h VAL 58 Ca -0.28 -0.65 0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1pd7 h VAL 58 Cb 2.07 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 1pd7 h VAL 58 CO 0.19 0.29 -0.10 0.15 -1.01 0.00 0.00 177.57 177.09 1pd7 h PHE 59 N 1.23 -0.25 -0.87 3.17 3.04 -1.48 -3.21 116.94 118.57 1pd7 h PHE 59 Ca 0.31 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.48 1pd7 h PHE 59 Cb 0.04 0.10 -0.15 0.00 2.56 0.00 0.00 35.95 38.50 1pd7 h PHE 59 CO 0.01 -0.15 0.11 0.00 -2.02 0.00 0.00 178.31 176.26 1pd7 h THR 60 N -0.21 0.25 0.22 4.41 1.03 -0.11 -1.89 112.91 116.60 1pd7 h THR 60 Ca 0.01 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 1pd7 h THR 60 Cb 0.21 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.40 1pd7 h THR 60 CO -0.04 0.02 -0.10 -0.33 -0.01 0.00 0.00 175.52 175.06 1pd7 h GLU 61 N 0.12 -0.28 -1.10 0.00 5.08 -1.56 -3.33 114.58 113.52 1pd7 h GLU 61 Ca 0.52 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 59.20 1pd7 h GLU 61 Cb 1.03 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1pd7 h GLU 61 CO -0.72 0.06 0.70 0.28 -1.00 0.00 0.00 179.01 178.33 1pd7 h VAL 62 N -0.95 0.43 -0.93 3.13 2.07 -1.46 0.62 116.25 119.17 1pd7 h VAL 62 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1pd7 h VAL 62 Cb 0.47 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1pd7 h VAL 62 CO 0.05 0.06 0.56 0.00 0.02 0.00 0.00 177.57 178.26 1pd7 h ALA 63 N 1.62 1.18 0.00 1.67 0.00 -1.46 -2.30 119.26 119.97 1pd7 h ALA 63 Ca 0.65 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 1pd7 h ALA 63 Cb 1.74 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1pd7 h ALA 63 CO -0.33 0.64 -0.64 -2.95 0.00 0.00 0.00 179.25 175.97 1pd7 h ASN 64 N 1.28 0.00 -0.66 0.00 7.08 -0.98 -0.11 115.58 122.20 1pd7 h ASN 64 Ca 0.33 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.54 1pd7 h ASN 64 Cb -0.05 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.16 1pd7 h ASN 64 CO -0.06 0.64 0.36 -0.07 -2.08 0.00 0.00 177.43 176.21 1pd7 h LEU 65 N 0.00 0.83 0.00 6.14 4.07 -1.44 -3.30 115.31 121.61 1pd7 h LEU 65 Ca -0.01 -0.10 -0.22 0.00 0.08 0.00 0.00 57.88 57.63 1pd7 h LEU 65 Cb 1.19 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.68 1pd7 h LEU 65 CO 0.08 0.69 -1.55 0.49 -1.08 0.00 0.00 178.44 177.08 1pd7 n PHE 66 N -4.52 0.97 -0.63 1.13 3.01 -0.89 -4.99 117.46 111.54 1pd7 n PHE 66 Ca 0.05 0.34 -0.30 0.00 1.01 0.00 0.00 57.45 58.55 1pd7 n PHE 66 Cb 0.09 -1.12 -0.06 0.00 -0.01 0.00 0.00 39.48 38.38 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 -2.94 0.00 0.00 -1.08 0.00 -0.08 -2.47 116.66 110.09 1pd7 n ARG 67 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1pd7 n ARG 67 Cb 0.93 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 32.64 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 3.62 3.97 3.37 5.14 0.00 -1.26 -5.07 105.19 114.95 1pd7 n GLY 68 Ca 0.27 -0.87 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 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 3.03 0.17 1.61 -0.21 -1.03 -4.91 119.66 118.31 1pd7 s GLN 69 Ca 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 55.36 54.04 1pd7 s GLN 69 Cb 0.00 -4.24 -0.00 0.00 1.00 0.00 0.00 33.01 29.76 1pd7 s GLN 69 CO 0.00 -1.41 1.38 1.05 -2.12 0.00 0.00 175.29 174.20 1pd7 h GLU 70 N 9.05 0.14 -0.29 2.91 4.11 -1.97 -3.28 114.58 125.25 1pd7 h GLU 70 Ca -0.29 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1pd7 h GLU 70 Cb 1.09 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1pd7 h GLU 70 CO 1.05 0.93 0.05 0.22 0.07 0.00 0.00 179.01 181.33 1pd7 h ASP 71 N 0.08 0.38 -0.26 3.06 3.58 -1.99 -1.42 116.42 119.85 1pd7 h ASP 71 Ca -0.04 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1pd7 h ASP 71 Cb 1.51 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 1pd7 h ASP 71 CO 0.13 0.40 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.65 1pd7 h LEU 72 N 0.41 0.61 -0.83 2.28 3.38 -1.99 -2.09 115.31 117.07 1pd7 h LEU 72 Ca 0.10 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1pd7 h LEU 72 Cb 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pd7 h LEU 72 CO -0.00 0.91 -0.06 -0.07 0.09 0.00 0.00 178.44 179.31 1pd7 h LEU 73 N 0.30 0.00 0.12 1.67 -0.00 -1.61 -0.52 115.31 115.28 1pd7 h LEU 73 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1pd7 h LEU 73 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1pd7 h LEU 73 CO 0.05 0.06 -0.06 -1.28 -0.00 0.00 0.00 178.44 177.21 1pd7 h SER 74 N 0.00 -0.14 0.79 -0.43 0.87 -1.18 -2.84 113.55 110.61 1pd7 h SER 74 Ca -0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1pd7 h SER 74 Cb 0.76 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1pd7 h SER 74 CO 0.01 0.08 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.01 1pd7 h GLU 75 N -0.36 0.00 0.00 2.24 5.08 -1.13 -2.37 114.58 118.04 1pd7 h GLU 75 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1pd7 h GLU 75 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1pd7 h GLU 75 CO 0.03 0.05 -0.12 0.35 -1.00 0.00 0.00 179.01 178.32 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.87 -2.51 116.94 121.46 1pd7 h PHE 76 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pd7 h PHE 76 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1pd7 h PHE 76 CO 0.00 0.12 0.00 0.78 -2.23 0.00 0.00 178.31 176.98 1pd7 h GLY 77 N 1.20 0.00 -0.64 2.40 0.00 -1.20 -3.30 103.07 101.53 1pd7 h GLY 77 Ca -0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 1pd7 h GLY 77 CO 0.02 0.00 0.33 0.06 0.00 0.00 0.00 176.54 176.95 1pd7 h GLN 78 N 0.00 0.17 0.00 4.80 3.07 -1.62 -3.13 115.11 118.40 1pd7 h GLN 78 Ca 0.00 -0.01 -0.29 0.00 0.09 0.00 0.00 58.65 58.44 1pd7 h GLN 78 Cb 0.01 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 1pd7 h GLN 78 CO 0.00 0.11 -2.03 0.34 0.09 0.00 0.00 178.83 177.34 1pd7 n PHE 79 N -5.23 0.00 -1.76 0.06 7.35 -1.25 -5.07 117.46 111.56 1pd7 n PHE 79 Ca 0.27 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.64 1pd7 n PHE 79 Cb 0.87 -0.68 0.03 0.00 0.35 0.00 0.00 39.48 40.05 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1pd7 s LEU 80 N -6.60 3.25 -0.45 -2.13 1.43 -1.18 -4.92 118.68 108.08 1pd7 s LEU 80 Ca -0.25 1.64 -0.28 0.00 -1.03 0.00 0.00 54.13 54.21 1pd7 s LEU 80 Cb 0.08 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.79 1pd7 s LEU 80 CO 0.36 -1.27 1.70 -2.16 0.23 0.00 0.00 176.35 175.21 1pd7 s PRO 81 N -4.78 3.18 0.05 1.29 0.04 -1.26 -4.75 135.00 128.77 1pd7 s PRO 81 Ca 0.59 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1pd7 s PRO 81 Cb -0.14 -4.21 -0.17 0.00 0.04 0.00 0.00 34.50 30.02 1pd7 s PRO 81 CO 0.49 -2.05 1.47 1.05 0.04 0.00 0.00 177.00 178.00 1pd7 h GLU 82 N 12.83 -0.67 0.00 4.56 -0.00 -1.91 -3.46 114.58 125.93 1pd7 h GLU 82 Ca -0.30 0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 1pd7 h GLU 82 Cb 1.15 0.15 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1pd7 h GLU 82 CO 1.11 -0.39 0.00 0.00 -0.00 0.00 0.00 179.01 179.73 1pd7 n ALA 83 N -2.47 1.71 -1.73 1.06 0.00 -1.26 -5.04 120.51 112.78 1pd7 n ALA 83 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1pd7 n ALA 83 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 1pd7 n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pd7 n LYS 84 N -1.99 0.00 0.00 0.00 2.85 -1.26 -5.26 118.16 112.49 1pd7 n LYS 84 Ca 0.00 -0.02 0.14 0.00 -1.05 0.00 0.00 58.31 57.38 1pd7 n LYS 84 Cb 0.00 0.02 0.58 0.00 -0.65 0.00 0.00 35.03 34.97 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89