#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 -1.46 0.00 4.31 7.64 -1.26 -5.07 113.62 117.78 1pd7 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pd7 n SER 2 Cb 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1pd7 n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pd7 n ASP 3 N 0.00 0.00 -3.32 6.43 9.92 -1.26 -4.91 116.55 123.41 1pd7 n ASP 3 Ca 0.00 0.36 -0.12 0.00 -0.53 0.00 0.00 54.79 54.50 1pd7 n ASP 3 Cb 0.00 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.12 1pd7 n ASP 3 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pd7 s SER 4 N -2.17 0.49 0.02 -2.24 1.04 -1.26 -4.99 113.70 104.60 1pd7 s SER 4 Ca 0.00 -1.20 -0.18 0.00 0.48 0.00 0.00 55.95 55.05 1pd7 s SER 4 Cb 0.00 0.94 -0.23 0.00 0.10 0.00 0.00 66.02 66.83 1pd7 s SER 4 CO 0.00 -0.26 1.13 0.58 0.98 0.00 0.00 173.24 175.67 1pd7 h VAL 5 N 5.26 1.39 0.00 5.02 2.07 -2.00 -3.14 116.25 124.86 1pd7 h VAL 5 Ca 0.02 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1pd7 h VAL 5 Cb 1.09 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1pd7 h VAL 5 CO 0.19 0.62 0.00 -0.33 0.02 0.00 0.00 177.57 178.07 1pd7 h GLU 6 N 0.01 0.00 -0.51 1.57 5.08 -1.98 0.36 114.58 119.12 1pd7 h GLU 6 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1pd7 h GLU 6 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1pd7 h GLU 6 CO 0.14 0.00 0.14 0.35 -1.00 0.00 0.00 179.01 178.64 1pd7 h PHE 7 N 0.00 0.84 -0.01 4.33 3.57 -1.96 -1.85 116.94 121.86 1pd7 h PHE 7 Ca 0.00 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.23 1pd7 h PHE 7 Cb 0.46 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1pd7 h PHE 7 CO 0.00 0.74 -0.80 -0.97 -2.23 0.00 0.00 178.31 175.04 1pd7 h ASN 8 N 0.70 0.23 -0.46 0.41 -0.73 -1.20 -0.89 115.58 113.64 1pd7 h ASN 8 Ca 0.16 -0.17 -0.06 0.00 1.87 0.00 0.00 56.30 58.10 1pd7 h ASN 8 Cb 0.31 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1pd7 h ASN 8 CO -0.00 0.93 0.07 0.78 -0.37 0.00 0.00 177.43 178.84 1pd7 h ASN 9 N 0.11 0.79 0.29 1.15 2.35 -0.99 0.71 115.58 119.99 1pd7 h ASN 9 Ca -0.03 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.47 1pd7 h ASN 9 Cb 1.40 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 1pd7 h ASN 9 CO 0.12 0.81 -0.36 0.00 -1.65 0.00 0.00 177.43 176.35 1pd7 h ALA 10 N 1.29 1.30 -0.19 -0.83 0.00 -0.73 -2.97 119.26 117.13 1pd7 h ALA 10 Ca 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1pd7 h ALA 10 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pd7 h ALA 10 CO 0.01 0.50 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 1pd7 h ILE 11 N 0.10 1.26 -0.89 0.00 1.08 -0.58 -3.31 117.51 115.17 1pd7 h ILE 11 Ca 0.01 -0.91 0.18 0.00 -0.39 0.00 0.00 64.86 63.75 1pd7 h ILE 11 Cb 0.69 1.49 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1pd7 h ILE 11 CO 0.05 0.28 0.58 -1.28 -0.69 0.00 0.00 178.15 177.09 1pd7 h SER 12 N 0.09 0.51 0.07 1.72 0.87 -0.72 0.15 113.55 116.23 1pd7 h SER 12 Ca 0.05 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1pd7 h SER 12 Cb 0.42 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1pd7 h SER 12 CO 0.01 0.22 -0.03 0.22 -0.53 0.00 0.00 176.83 176.72 1pd7 h TYR 13 N 0.52 -0.08 -0.53 2.24 3.20 -1.62 -1.45 116.97 119.25 1pd7 h TYR 13 Ca 0.46 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.28 1pd7 h TYR 13 Cb 0.99 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1pd7 h TYR 13 CO -0.00 0.44 0.13 0.28 -1.64 0.00 0.00 178.16 177.36 1pd7 h VAL 14 N -0.67 1.22 -0.38 1.81 2.07 -1.47 0.94 116.25 119.77 1pd7 h VAL 14 Ca -0.01 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1pd7 h VAL 14 Cb 0.56 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1pd7 h VAL 14 CO 0.02 0.30 0.18 -1.13 0.02 0.00 0.00 177.57 176.96 1pd7 h ASN 15 N 0.78 0.26 -0.74 0.57 -1.24 -0.79 -0.22 115.58 114.20 1pd7 h ASN 15 Ca 0.17 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 1pd7 h ASN 15 Cb 0.29 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1pd7 h ASN 15 CO -0.00 0.19 0.26 0.50 -1.29 0.00 0.00 177.43 177.09 1pd7 h LYS 16 N 0.37 1.14 -0.14 6.67 3.64 -0.48 -0.87 116.57 126.90 1pd7 h LYS 16 Ca 0.16 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1pd7 h LYS 16 Cb 0.08 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1pd7 h LYS 16 CO -0.12 0.95 -0.10 0.82 -2.27 0.00 0.00 179.45 178.73 1pd7 h ILE 17 N 1.10 0.71 -0.52 2.00 2.04 -0.72 -1.66 117.51 120.46 1pd7 h ILE 17 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.19 1pd7 h ILE 17 Cb 0.26 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 1pd7 h ILE 17 CO -0.01 0.00 0.14 0.11 0.00 0.00 0.00 178.15 178.38 1pd7 h LYS 18 N -0.10 0.28 -0.72 2.37 1.57 -0.77 -1.07 116.57 118.13 1pd7 h LYS 18 Ca 0.09 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1pd7 h LYS 18 Cb 0.23 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1pd7 h LYS 18 CO -0.20 0.18 0.46 1.15 -0.57 0.00 0.00 179.45 180.47 1pd7 h THR 19 N 0.29 1.11 0.00 -0.16 2.02 -0.65 -2.27 112.91 113.25 1pd7 h THR 19 Ca 0.26 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1pd7 h THR 19 Cb 0.33 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1pd7 h THR 19 CO -0.31 0.16 -0.36 0.03 0.37 0.00 0.00 175.52 175.42 1pd7 h ARG 20 N 0.90 0.00 -1.90 6.66 2.47 -1.21 -3.34 114.38 117.96 1pd7 h ARG 20 Ca 0.28 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 58.29 1pd7 h ARG 20 Cb -0.00 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 27.99 1pd7 h ARG 20 CO -0.10 0.00 0.43 1.19 0.56 0.00 0.00 179.97 182.05 1pd7 n PHE 21 N -2.31 3.15 0.10 3.04 3.72 -0.41 -4.47 117.46 120.28 1pd7 n PHE 21 Ca 0.04 -2.68 -0.18 0.00 -0.05 0.00 0.00 57.45 54.58 1pd7 n PHE 21 Cb 0.45 -0.82 -0.14 0.00 -0.94 0.00 0.00 39.48 38.03 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 3.00 0.49 -1.90 4.37 3.38 -1.62 -3.16 115.31 119.88 1pd7 h LEU 22 Ca 0.46 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1pd7 h LEU 22 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pd7 h LEU 22 CO 1.20 1.44 -0.12 -0.78 0.09 0.00 0.00 178.44 180.27 1pd7 h ASP 23 N 0.09 0.00 -2.84 -0.43 3.58 -1.90 -3.37 116.42 111.54 1pd7 h ASP 23 Ca -0.18 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.66 1pd7 h ASP 23 Cb 2.02 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 42.66 1pd7 h ASP 23 CO 0.21 0.12 -0.70 1.41 -2.88 0.00 0.00 179.24 177.40 1pd7 n HIS 24 N -3.75 1.94 0.56 0.28 8.25 -1.19 -4.95 115.22 116.36 1pd7 n HIS 24 Ca -0.02 -4.00 0.12 0.00 -0.26 0.00 0.00 57.72 53.56 1pd7 n HIS 24 Cb 0.23 -0.35 0.45 0.00 1.12 0.00 0.00 29.99 31.45 1pd7 n HIS 24 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1pd7 n PRO 25 N 2.21 0.17 0.19 -0.41 -0.02 -1.24 -3.68 135.00 132.23 1pd7 n PRO 25 Ca 0.23 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1pd7 n PRO 25 Cb 0.39 -1.76 0.13 0.00 -0.02 0.00 0.00 33.50 32.24 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pd7 h GLU 26 N 0.00 0.00 -0.16 -0.52 5.08 -1.92 -3.22 114.58 113.84 1pd7 h GLU 26 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1pd7 h GLU 26 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1pd7 h GLU 26 CO 0.00 0.13 0.12 0.82 -1.00 0.00 0.00 179.01 179.08 1pd7 h ILE 27 N 0.00 0.88 0.00 3.13 1.08 -1.95 0.37 117.51 121.03 1pd7 h ILE 27 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1pd7 h ILE 27 Cb 1.10 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1pd7 h ILE 27 CO 0.02 0.00 0.07 0.22 -0.69 0.00 0.00 178.15 177.76 1pd7 h TYR 28 N 0.00 0.00 0.00 1.37 3.20 -1.83 -0.44 116.97 119.27 1pd7 h TYR 28 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1pd7 h TYR 28 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1pd7 h TYR 28 CO 0.00 0.00 -0.03 0.00 -1.64 0.00 0.00 178.16 176.49 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 -0.00 -1.17 -3.40 114.38 111.63 1pd7 h ARG 29 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.42 1pd7 h ARG 29 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 1pd7 h ARG 29 CO 0.00 0.00 -0.42 0.66 0.00 0.00 0.00 179.97 180.21 1pd7 h SER 30 N -0.87 0.00 0.75 7.04 4.64 -1.55 -3.21 113.55 120.36 1pd7 h SER 30 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1pd7 h SER 30 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1pd7 h SER 30 CO 0.00 0.27 -0.36 0.15 -0.87 0.00 0.00 176.83 176.02 1pd7 h PHE 31 N 0.00 -0.94 -0.47 4.77 3.57 -1.34 -3.28 116.94 119.24 1pd7 h PHE 31 Ca -0.01 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1pd7 h PHE 31 Cb 1.22 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 1pd7 h PHE 31 CO 0.00 -0.57 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.36 1pd7 h LEU 32 N -1.18 0.83 -1.88 0.59 3.38 -1.77 -2.12 115.31 113.15 1pd7 h LEU 32 Ca -0.10 -0.24 0.26 0.00 0.09 0.00 0.00 57.88 57.89 1pd7 h LEU 32 Cb 0.80 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1pd7 h LEU 32 CO 0.17 0.94 0.75 -0.33 0.09 0.00 0.00 178.44 180.06 1pd7 h GLU 33 N 0.77 0.00 -0.08 1.13 4.39 -1.68 0.17 114.58 119.28 1pd7 h GLU 33 Ca 0.13 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1pd7 h GLU 33 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1pd7 h GLU 33 CO 0.04 0.00 -0.22 0.82 -1.16 0.00 0.00 179.01 178.48 1pd7 h ILE 34 N 0.00 1.41 -0.72 3.13 2.04 -1.44 -1.77 117.51 120.16 1pd7 h ILE 34 Ca 0.43 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1pd7 h ILE 34 Cb 1.92 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 40.18 1pd7 h ILE 34 CO -0.00 0.45 0.42 -0.07 0.00 0.00 0.00 178.15 178.94 1pd7 h LEU 35 N -0.18 0.88 -1.81 1.44 3.38 -1.29 -1.85 115.31 115.87 1pd7 h LEU 35 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pd7 h LEU 35 Cb 0.83 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1pd7 h LEU 35 CO 0.05 0.69 0.00 -0.74 0.09 0.00 0.00 178.44 178.52 1pd7 h HIS 36 N 1.00 0.00 -0.41 1.13 2.76 -0.70 -0.65 115.15 118.29 1pd7 h HIS 36 Ca 0.26 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1pd7 h HIS 36 Cb -0.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1pd7 h HIS 36 CO 0.00 0.00 0.03 0.00 -1.30 0.00 0.00 177.93 176.67 1pd7 h THR 37 N 0.00 1.21 0.14 6.26 1.03 -0.43 -2.84 112.91 118.28 1pd7 h THR 37 Ca 0.00 -0.82 -0.01 0.00 -0.01 0.00 0.00 66.41 65.58 1pd7 h THR 37 Cb 0.33 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1pd7 h THR 37 CO 0.00 0.29 -0.07 0.22 -0.01 0.00 0.00 175.52 175.95 1pd7 h TYR 38 N 0.61 -0.17 0.00 0.00 3.20 -1.39 -3.41 116.97 115.81 1pd7 h TYR 38 Ca 0.13 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 38 Cb 0.33 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1pd7 h TYR 38 CO 0.01 -0.11 -0.02 0.37 -1.64 0.00 0.00 178.16 176.77 1pd7 h GLN 39 N -0.98 0.00 -0.83 1.82 -0.00 -1.13 -1.74 115.11 112.25 1pd7 h GLN 39 Ca -0.02 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.83 1pd7 h GLN 39 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 27.48 27.48 1pd7 h GLN 39 CO 0.03 0.02 0.01 -0.22 0.00 0.00 0.00 178.83 178.67 1pd7 h LYS 40 N 0.00 0.08 0.00 1.69 3.64 -1.73 -2.52 116.57 117.73 1pd7 h LYS 40 Ca -0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1pd7 h LYS 40 Cb 0.14 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1pd7 h LYS 40 CO 0.00 0.05 -0.13 0.93 -2.27 0.00 0.00 179.45 178.03 1pd7 h GLU 41 N 0.08 0.00 0.02 1.90 4.39 -1.54 0.23 114.58 119.67 1pd7 h GLU 41 Ca 0.47 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.95 1pd7 h GLU 41 Cb 0.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1pd7 h GLU 41 CO -0.75 0.13 -0.96 1.96 -1.16 0.00 0.00 179.01 178.24 1pd7 h GLN 42 N 0.00 0.18 0.00 2.33 4.20 -1.64 -3.17 115.11 117.01 1pd7 h GLN 42 Ca -0.00 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1pd7 h GLN 42 Cb 0.32 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1pd7 h GLN 42 CO 0.02 1.00 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.53 1pd7 h LEU 43 N 0.08 0.00 -6.70 1.46 3.38 -1.35 -3.41 115.31 108.78 1pd7 h LEU 43 Ca -0.05 -0.77 -0.67 0.00 0.09 0.00 0.00 57.88 56.48 1pd7 h LEU 43 Cb 1.62 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.99 1pd7 h LEU 43 CO 0.15 1.22 -0.22 1.41 0.09 0.00 0.00 178.44 181.09 1pd7 n HIS 44 N -4.53 3.47 -2.52 1.13 8.25 0.76 -5.06 115.22 116.71 1pd7 n HIS 44 Ca -0.20 -3.88 -0.43 0.00 -0.26 0.00 0.00 57.72 52.95 1pd7 n HIS 44 Cb 0.57 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pd7 s THR 45 N -2.16 4.43 -1.25 1.59 2.01 -1.20 -4.50 115.64 114.57 1pd7 s THR 45 Ca 0.33 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 63.99 1pd7 s THR 45 Cb 0.06 -4.12 0.19 0.00 0.01 0.00 0.00 72.50 68.64 1pd7 s THR 45 CO -0.04 -0.08 1.83 1.17 -0.69 0.00 0.00 174.62 176.81 1pd7 n LYS 46 N 5.86 3.82 0.00 4.92 3.00 -1.26 -4.79 118.16 129.70 1pd7 n LYS 46 Ca 0.12 -3.71 0.00 0.00 -0.00 0.00 0.00 58.31 54.72 1pd7 n LYS 46 Cb 0.46 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.65 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pd7 n GLY 47 N 2.48 1.98 3.76 3.14 0.00 -1.26 -4.90 105.19 110.39 1pd7 n GLY 47 Ca 0.38 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 4.73 -0.66 1.61 1.70 -1.26 -4.98 118.95 120.08 1pd7 s ARG 48 Ca 0.00 1.40 -0.27 0.00 -0.47 0.00 0.00 55.73 56.39 1pd7 s ARG 48 Cb 0.00 -3.10 0.01 0.00 -0.57 0.00 0.00 34.95 31.29 1pd7 s ARG 48 CO 0.00 0.44 1.50 -1.25 -1.08 0.00 0.00 175.30 174.91 1pd7 s PRO 49 N -1.50 3.02 0.16 3.89 0.04 -1.26 -4.95 135.00 134.39 1pd7 s PRO 49 Ca 0.44 0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.74 1pd7 s PRO 49 Cb -0.23 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1pd7 s PRO 49 CO 0.28 -2.31 -0.18 0.12 0.04 0.00 0.00 177.00 174.96 1pd7 s PHE 50 N 6.92 1.80 0.00 0.56 5.36 -1.26 -5.10 117.98 126.26 1pd7 s PHE 50 Ca 0.49 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1pd7 s PHE 50 Cb -0.10 -0.91 0.00 0.00 -0.34 0.00 0.00 43.02 41.67 1pd7 s PHE 50 CO 0.19 0.31 0.00 0.54 -1.46 0.00 0.00 175.22 174.80 1pd7 n ARG 51 N 0.38 0.00 -4.14 10.12 1.74 -1.26 -4.34 116.66 119.16 1pd7 n ARG 51 Ca -0.14 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.83 1pd7 n ARG 51 Cb 0.57 -0.01 -0.09 0.00 -1.02 0.00 0.00 32.46 31.91 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1pd7 s GLY 52 N -1.75 1.16 0.00 -0.13 0.00 -1.26 -4.36 107.32 100.98 1pd7 s GLY 52 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1pd7 s GLY 52 CO 0.00 -1.18 0.00 1.15 0.00 0.00 0.00 173.10 173.07 1pd7 n MET 53 N -0.29 3.55 -2.30 2.90 0.00 -1.26 -4.98 117.12 114.73 1pd7 n MET 53 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1pd7 n MET 53 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.84 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 -1.00 6.90 0.35 3.17 0.01 -1.26 -4.90 113.70 116.97 1pd7 s SER 54 Ca 0.00 1.98 0.08 0.00 1.31 0.00 0.00 55.95 59.31 1pd7 s SER 54 Cb 0.00 -2.55 0.65 0.00 0.21 0.00 0.00 66.02 64.33 1pd7 s SER 54 CO 0.00 -0.71 1.84 -0.33 0.41 0.00 0.00 173.24 174.45 1pd7 h GLU 55 N 7.98 0.28 -0.05 12.44 5.08 -2.01 -0.77 114.58 137.52 1pd7 h GLU 55 Ca -0.35 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1pd7 h GLU 55 Cb 1.16 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pd7 h GLU 55 CO 0.91 0.48 0.05 0.93 -1.00 0.00 0.00 179.01 180.38 1pd7 h GLU 56 N 0.25 0.00 0.19 2.33 4.39 -1.99 -2.84 114.58 116.92 1pd7 h GLU 56 Ca 0.05 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.41 1pd7 h GLU 56 Cb 0.51 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1pd7 h GLU 56 CO 0.03 0.00 -1.57 1.05 -1.16 0.00 0.00 179.01 177.36 1pd7 h GLU 57 N 0.00 0.40 -0.57 2.33 4.11 -1.53 -0.83 114.58 118.51 1pd7 h GLU 57 Ca 0.02 -0.69 -0.03 0.00 0.07 0.00 0.00 59.36 58.73 1pd7 h GLU 57 Cb 0.12 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1pd7 h GLU 57 CO -0.00 1.31 0.23 -0.24 0.07 0.00 0.00 179.01 180.38 1pd7 h VAL 58 N 0.11 1.22 0.12 -1.06 3.04 -1.47 -0.40 116.25 117.82 1pd7 h VAL 58 Ca -0.28 -0.68 0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1pd7 h VAL 58 Cb 2.10 0.61 -0.04 0.00 -2.01 0.00 0.00 31.29 31.95 1pd7 h VAL 58 CO 0.21 0.26 -0.32 0.15 -1.01 0.00 0.00 177.57 176.86 1pd7 h PHE 59 N 0.77 -0.87 -0.68 3.17 3.04 -1.58 -3.00 116.94 117.79 1pd7 h PHE 59 Ca 0.19 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.29 1pd7 h PHE 59 Cb 0.19 0.37 -0.10 0.00 2.56 0.00 0.00 35.95 38.97 1pd7 h PHE 59 CO 0.01 -0.43 0.17 0.00 -2.02 0.00 0.00 178.31 176.04 1pd7 h THR 60 N -0.55 0.59 0.00 4.41 1.03 -0.40 -2.59 112.91 115.41 1pd7 h THR 60 Ca 0.03 -0.10 -0.08 0.00 -0.01 0.00 0.00 66.41 66.25 1pd7 h THR 60 Cb 0.58 0.28 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1pd7 h THR 60 CO -0.19 0.05 -0.38 -0.33 -0.01 0.00 0.00 175.52 174.67 1pd7 h GLU 61 N 0.29 0.00 0.00 0.00 5.08 -1.08 -2.79 114.58 116.08 1pd7 h GLU 61 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1pd7 h GLU 61 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1pd7 h GLU 61 CO -0.45 0.38 -0.40 0.28 -1.00 0.00 0.00 179.01 177.83 1pd7 h VAL 62 N 0.00 0.99 -0.14 3.13 2.07 -1.33 -3.19 116.25 117.78 1pd7 h VAL 62 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 1pd7 h VAL 62 Cb 1.14 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1pd7 h VAL 62 CO 0.05 0.39 -0.11 0.00 0.02 0.00 0.00 177.57 177.92 1pd7 h ALA 63 N 1.60 1.55 -0.19 1.67 0.00 -1.18 -1.72 119.26 120.99 1pd7 h ALA 63 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1pd7 h ALA 63 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1pd7 h ALA 63 CO 0.05 0.33 -0.21 -0.91 0.00 0.00 0.00 179.25 178.51 1pd7 h ASN 64 N 0.21 0.33 -0.50 0.00 2.35 -1.64 -2.01 115.58 114.32 1pd7 h ASN 64 Ca 0.05 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1pd7 h ASN 64 Cb 0.34 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1pd7 h ASN 64 CO 0.02 0.56 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.17 1pd7 h LEU 65 N 0.31 0.98 -1.69 1.61 -0.00 -1.47 -3.25 115.31 111.80 1pd7 h LEU 65 Ca 0.05 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1pd7 h LEU 65 Cb 0.55 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1pd7 h LEU 65 CO 0.04 1.11 -0.01 0.49 -0.00 0.00 0.00 178.44 180.07 1pd7 n PHE 66 N -4.19 0.00 -1.72 1.13 3.72 -1.17 -5.04 117.46 110.18 1pd7 n PHE 66 Ca 0.01 0.00 -0.60 0.00 -0.05 0.00 0.00 57.45 56.80 1pd7 n PHE 66 Cb 0.40 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 1pd7 n PHE 66 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1pd7 n ARG 67 N 1.00 0.85 0.00 -1.08 0.00 -0.77 -1.08 116.66 115.58 1pd7 n ARG 67 Ca 0.11 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 1pd7 n ARG 67 Cb 0.46 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.97 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 4.15 3.20 3.48 5.14 0.00 -1.26 -5.05 105.19 114.85 1pd7 n GLY 68 Ca 0.28 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 3.45 0.18 1.61 -0.21 -0.24 -4.83 119.66 119.61 1pd7 s GLN 69 Ca 0.00 -1.31 0.08 0.00 0.02 0.00 0.00 55.36 54.14 1pd7 s GLN 69 Cb 0.00 -4.78 0.02 0.00 1.00 0.00 0.00 33.01 29.25 1pd7 s GLN 69 CO 0.00 -1.89 1.41 0.93 -2.12 0.00 0.00 175.29 173.62 1pd7 h GLU 70 N 9.28 0.03 -0.99 2.91 4.39 -1.97 -3.31 114.58 124.91 1pd7 h GLU 70 Ca 0.02 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1pd7 h GLU 70 Cb 1.04 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.61 1pd7 h GLU 70 CO 1.20 0.86 0.62 -0.44 -1.16 0.00 0.00 179.01 180.09 1pd7 h ASP 71 N 0.01 0.90 -0.34 1.42 5.19 -1.99 -1.21 116.42 120.40 1pd7 h ASP 71 Ca -0.01 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1pd7 h ASP 71 Cb 1.50 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 1pd7 h ASP 71 CO 0.11 0.47 0.07 -0.07 -3.12 0.00 0.00 179.24 176.70 1pd7 h LEU 72 N 0.96 0.53 -1.06 1.55 3.38 -1.99 -2.88 115.31 115.81 1pd7 h LEU 72 Ca 0.50 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1pd7 h LEU 72 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pd7 h LEU 72 CO -0.27 0.64 -0.25 -0.07 0.09 0.00 0.00 178.44 178.58 1pd7 h LEU 73 N 0.40 0.00 0.21 1.67 -0.00 -1.49 -1.99 115.31 114.12 1pd7 h LEU 73 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1pd7 h LEU 73 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1pd7 h LEU 73 CO 0.00 0.25 -0.10 -1.28 -0.00 0.00 0.00 178.44 177.32 1pd7 h SER 74 N 0.00 -0.24 1.18 -0.43 0.87 -1.16 -2.86 113.55 110.92 1pd7 h SER 74 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1pd7 h SER 74 Cb 0.78 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1pd7 h SER 74 CO 0.03 0.07 0.00 -0.33 -0.53 0.00 0.00 176.83 176.07 1pd7 h GLU 75 N -0.56 0.00 0.00 2.24 5.08 -1.50 -2.80 114.58 117.03 1pd7 h GLU 75 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pd7 h GLU 75 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pd7 h GLU 75 CO 0.05 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.39 1pd7 h PHE 76 N 0.00 0.00 -0.00 4.33 3.57 -1.14 -2.52 116.94 121.18 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 0.59 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1pd7 h PHE 76 CO 0.00 0.01 0.06 0.78 -2.23 0.00 0.00 178.31 176.93 1pd7 h GLY 77 N 1.40 0.00 2.00 2.40 0.00 -1.29 -1.33 103.07 106.25 1pd7 h GLY 77 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1pd7 h GLY 77 CO 0.00 0.00 -0.03 1.46 0.00 0.00 0.00 176.54 177.97 1pd7 h GLN 78 N 0.00 0.00 0.00 4.80 4.20 -1.67 -2.46 115.11 119.98 1pd7 h GLN 78 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pd7 h GLN 78 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1pd7 h GLN 78 CO -0.00 0.03 -0.73 1.19 -0.67 0.00 0.00 178.83 178.65 1pd7 n PHE 79 N -3.17 0.30 -3.95 2.96 3.72 -0.50 -4.67 117.46 112.15 1pd7 n PHE 79 Ca -0.00 0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.18 1pd7 n PHE 79 Cb 0.26 -0.46 -0.14 0.00 -0.94 0.00 0.00 39.48 38.19 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pd7 s LEU 80 N -3.77 4.31 -0.32 4.37 1.43 -0.93 -5.07 118.68 118.71 1pd7 s LEU 80 Ca 0.07 -2.64 -0.28 0.00 -1.03 0.00 0.00 54.13 50.25 1pd7 s LEU 80 Cb 0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1pd7 s LEU 80 CO 0.74 -0.29 2.08 -2.84 0.23 0.00 0.00 176.35 176.27 1pd7 s PRO 81 N 0.23 3.02 -0.03 1.29 0.02 -1.26 -4.82 135.00 133.46 1pd7 s PRO 81 Ca 0.15 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.61 1pd7 s PRO 81 Cb -0.23 -4.34 -0.14 0.00 0.02 0.00 0.00 34.50 29.81 1pd7 s PRO 81 CO -0.04 -2.22 0.92 0.93 -0.33 0.00 0.00 177.00 176.26 1pd7 h GLU 82 N 14.95 -0.41 0.00 5.54 3.07 -1.98 -3.45 114.58 132.29 1pd7 h GLU 82 Ca -0.35 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1pd7 h GLU 82 Cb 1.21 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1pd7 h GLU 82 CO 1.03 -0.10 0.00 0.00 -1.40 0.00 0.00 179.01 178.54 1pd7 n ALA 83 N -2.60 0.00 -1.71 3.43 0.00 -1.26 -5.05 120.51 113.32 1pd7 n ALA 83 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1pd7 n ALA 83 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pd7 n LYS 84 N 0.00 -0.21 0.00 0.00 4.81 -1.26 -5.35 118.16 116.15 1pd7 n LYS 84 Ca 0.00 0.46 0.12 0.00 -0.87 0.00 0.00 58.31 58.02 1pd7 n LYS 84 Cb 0.00 -2.05 0.10 0.00 0.02 0.00 0.00 35.03 33.10 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11