#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 -2.54 0.10 1.62 7.64 -1.26 -4.96 113.62 114.22 1pd7 n SER 2 Ca 0.00 0.11 0.12 0.00 1.01 0.00 0.00 58.87 60.11 1pd7 n SER 2 Cb 0.00 -1.31 0.13 0.00 -1.01 0.00 0.00 64.21 62.02 1pd7 n SER 2 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1pd7 h ASP 3 N 0.33 0.00 -0.78 6.43 3.32 -2.08 -3.43 116.42 120.21 1pd7 h ASP 3 Ca 0.00 -0.11 -0.55 0.00 0.02 0.00 0.00 57.03 56.39 1pd7 h ASP 3 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1pd7 h ASP 3 CO 0.00 0.05 1.72 -0.44 -1.72 0.00 0.00 179.24 178.86 1pd7 s SER 4 N -4.83 6.21 -0.11 6.45 0.01 -1.26 -4.74 113.70 115.43 1pd7 s SER 4 Ca 0.04 -2.00 -0.03 0.00 1.31 0.00 0.00 55.95 55.27 1pd7 s SER 4 Cb 0.11 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1pd7 s SER 4 CO 0.73 -1.81 0.02 0.58 0.41 0.00 0.00 173.24 173.17 1pd7 h VAL 5 N 6.00 0.11 0.00 3.43 2.07 -2.00 -3.31 116.25 122.54 1pd7 h VAL 5 Ca 0.33 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1pd7 h VAL 5 Cb 0.92 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1pd7 h VAL 5 CO 1.38 0.04 -0.02 1.05 0.02 0.00 0.00 177.57 180.03 1pd7 h GLU 6 N -1.00 0.00 -0.68 1.57 4.11 -1.99 -0.08 114.58 116.51 1pd7 h GLU 6 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pd7 h GLU 6 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1pd7 h GLU 6 CO -0.00 0.02 0.42 0.35 0.07 0.00 0.00 179.01 179.87 1pd7 h PHE 7 N 0.00 0.89 0.00 2.06 3.04 -1.95 -1.67 116.94 119.32 1pd7 h PHE 7 Ca -0.00 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1pd7 h PHE 7 Cb 0.83 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1pd7 h PHE 7 CO 0.00 0.60 -0.53 -0.97 -2.02 0.00 0.00 178.31 175.38 1pd7 h ASN 8 N 0.93 0.00 0.30 0.41 -0.73 -1.15 -0.76 115.58 114.59 1pd7 h ASN 8 Ca 0.25 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.31 1pd7 h ASN 8 Cb -0.05 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1pd7 h ASN 8 CO -0.05 0.53 -0.45 0.78 -0.37 0.00 0.00 177.43 177.87 1pd7 h ASN 9 N 0.00 0.19 -0.18 1.15 2.35 -1.08 0.18 115.58 118.20 1pd7 h ASN 9 Ca -0.01 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1pd7 h ASN 9 Cb 1.09 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1pd7 h ASN 9 CO 0.07 0.62 -0.03 0.00 -1.65 0.00 0.00 177.43 176.44 1pd7 h ALA 10 N 1.39 0.24 -0.45 -0.83 0.00 -0.55 -2.75 119.26 116.31 1pd7 h ALA 10 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1pd7 h ALA 10 Cb 0.86 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1pd7 h ALA 10 CO 0.07 -0.01 0.13 0.82 0.00 0.00 0.00 179.25 180.25 1pd7 h ILE 11 N 0.06 0.81 0.00 0.00 1.08 -0.93 -1.15 117.51 117.37 1pd7 h ILE 11 Ca 0.05 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1pd7 h ILE 11 Cb 0.45 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1pd7 h ILE 11 CO 0.01 0.05 0.00 0.28 -0.69 0.00 0.00 178.15 177.81 1pd7 h SER 12 N 0.28 0.00 0.00 1.72 0.02 -0.65 0.41 113.55 115.33 1pd7 h SER 12 Ca 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1pd7 h SER 12 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1pd7 h SER 12 CO -0.25 0.00 -0.01 0.22 -1.14 0.00 0.00 176.83 175.64 1pd7 h TYR 13 N 0.00 0.00 -0.62 3.45 3.20 -0.92 -3.14 116.97 118.94 1pd7 h TYR 13 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1pd7 h TYR 13 Cb 0.05 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1pd7 h TYR 13 CO 0.00 0.14 0.41 0.28 -1.64 0.00 0.00 178.16 177.35 1pd7 h VAL 14 N -1.00 1.16 -0.55 1.81 2.07 -0.98 -1.37 116.25 117.39 1pd7 h VAL 14 Ca -0.00 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1pd7 h VAL 14 Cb 0.15 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1pd7 h VAL 14 CO -0.00 0.15 0.13 -1.13 0.02 0.00 0.00 177.57 176.74 1pd7 h ASN 15 N 0.84 0.80 -0.44 0.57 -1.24 -0.39 0.18 115.58 115.90 1pd7 h ASN 15 Ca 0.23 -0.15 -0.11 0.00 0.71 0.00 0.00 56.30 56.99 1pd7 h ASN 15 Cb -0.10 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1pd7 h ASN 15 CO -0.05 0.78 -0.12 0.11 -1.29 0.00 0.00 177.43 176.86 1pd7 h LYS 16 N 0.82 0.91 0.05 6.67 1.57 -1.23 -0.63 116.57 124.74 1pd7 h LYS 16 Ca 0.18 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1pd7 h LYS 16 Cb 0.30 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1pd7 h LYS 16 CO -0.00 0.98 -0.03 0.82 -0.57 0.00 0.00 179.45 180.65 1pd7 h ILE 17 N 0.82 0.94 -0.48 1.86 2.04 -1.10 0.11 117.51 121.70 1pd7 h ILE 17 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1pd7 h ILE 17 Cb 0.65 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pd7 h ILE 17 CO 0.05 0.00 0.22 0.07 0.00 0.00 0.00 178.15 178.48 1pd7 h LYS 18 N -0.08 0.67 0.08 2.37 2.10 -0.55 -0.64 116.57 120.52 1pd7 h LYS 18 Ca -0.01 -0.08 -0.28 0.00 -2.00 0.00 0.00 60.65 58.29 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 0.01 0.53 -1.16 1.15 -2.00 0.00 0.00 179.45 177.98 1pd7 h THR 19 N 0.67 1.34 -0.05 0.07 2.02 -0.94 -3.34 112.91 112.67 1pd7 h THR 19 Ca 0.17 -2.52 -0.20 0.00 0.77 0.00 0.00 66.41 64.63 1pd7 h THR 19 Cb 0.09 2.63 0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1pd7 h THR 19 CO -0.02 0.76 -0.76 0.03 0.37 0.00 0.00 175.52 175.90 1pd7 h ARG 20 N 0.25 0.60 -1.83 6.66 2.47 -0.64 -3.33 114.38 118.56 1pd7 h ARG 20 Ca -0.15 -0.58 -0.38 0.00 -1.26 0.00 0.00 59.98 57.61 1pd7 h ARG 20 Cb 1.83 0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 30.16 1pd7 h ARG 20 CO 0.21 1.20 0.28 1.19 0.56 0.00 0.00 179.97 183.42 1pd7 n PHE 21 N -4.05 1.30 0.08 3.04 3.72 -0.26 -3.87 117.46 117.41 1pd7 n PHE 21 Ca -0.10 -1.85 -0.08 0.00 -0.05 0.00 0.00 57.45 55.37 1pd7 n PHE 21 Cb 0.74 -1.22 -0.07 0.00 -0.94 0.00 0.00 39.48 37.99 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 3.53 0.08 -0.02 4.37 3.38 -1.68 -2.69 115.31 122.29 1pd7 h LEU 22 Ca 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pd7 h LEU 22 Cb 0.90 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1pd7 h LEU 22 CO 0.72 1.00 0.00 -0.67 0.09 0.00 0.00 178.44 179.57 1pd7 n ASP 23 N -3.47 0.26 -3.13 -0.43 2.03 -1.25 -4.36 116.55 106.20 1pd7 n ASP 23 Ca -0.02 0.53 -0.18 0.00 0.52 0.00 0.00 54.79 55.65 1pd7 n ASP 23 Cb 0.89 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pd7 n HIS 24 N -1.74 -0.30 1.52 -0.67 8.25 -1.15 -4.97 115.22 116.16 1pd7 n HIS 24 Ca 0.06 -3.56 0.06 0.00 -0.26 0.00 0.00 57.72 54.02 1pd7 n HIS 24 Cb 0.35 -0.14 0.37 0.00 1.12 0.00 0.00 29.99 31.69 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 0.46 0.76 0.27 -0.41 -0.04 -1.03 -1.79 135.00 133.22 1pd7 n PRO 25 Ca 0.22 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.84 1pd7 n PRO 25 Cb 0.65 -1.26 0.60 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.16 0.54 4.11 -1.93 -3.30 114.58 114.16 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pd7 h GLU 26 CO 0.00 0.00 -0.08 0.82 0.07 0.00 0.00 179.01 179.83 1pd7 h ILE 27 N 0.00 0.97 -0.81 -1.06 1.08 -1.70 -3.08 117.51 112.90 1pd7 h ILE 27 Ca -0.00 -0.68 0.17 0.00 -0.39 0.00 0.00 64.86 63.96 1pd7 h ILE 27 Cb 0.59 1.38 -0.11 0.00 -3.07 0.00 0.00 36.82 35.61 1pd7 h ILE 27 CO 0.00 0.16 0.32 0.22 -0.69 0.00 0.00 178.15 178.16 1pd7 h TYR 28 N -0.55 0.54 -0.49 1.37 3.20 -1.77 0.18 116.97 119.45 1pd7 h TYR 28 Ca -0.02 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1pd7 h TYR 28 Cb 0.42 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1pd7 h TYR 28 CO 0.03 0.01 0.05 -0.09 -1.64 0.00 0.00 178.16 176.51 1pd7 h ARG 29 N 0.41 0.83 0.09 1.82 9.65 -1.70 -3.30 114.38 122.18 1pd7 h ARG 29 Ca 0.47 -0.24 -0.29 0.00 -1.10 0.00 0.00 59.98 58.82 1pd7 h ARG 29 Cb 0.80 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1pd7 h ARG 29 CO -0.47 0.85 -1.46 1.03 2.80 0.00 0.00 179.97 182.72 1pd7 h SER 30 N 0.70 0.29 -0.39 -3.80 0.87 -1.20 -3.38 113.55 106.63 1pd7 h SER 30 Ca 0.14 -0.39 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1pd7 h SER 30 Cb 0.44 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 1pd7 h SER 30 CO 0.02 1.33 -0.56 0.15 -0.53 0.00 0.00 176.83 177.24 1pd7 h PHE 31 N 0.05 -1.71 -0.17 2.24 3.57 -0.77 -3.02 116.94 117.13 1pd7 h PHE 31 Ca -0.21 0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 1pd7 h PHE 31 Cb 1.98 0.80 -0.01 0.00 2.79 0.00 0.00 35.95 41.50 1pd7 h PHE 31 CO 0.05 -0.50 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.11 1pd7 h LEU 32 N -0.41 0.45 -2.00 0.59 3.38 -1.76 -1.87 115.31 113.69 1pd7 h LEU 32 Ca 0.07 -0.21 0.17 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 32 Cb 0.60 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1pd7 h LEU 32 CO -0.59 0.84 0.42 -0.33 0.09 0.00 0.00 178.44 178.87 1pd7 h GLU 33 N 0.34 0.00 -0.31 1.13 5.08 -1.71 0.10 114.58 119.21 1pd7 h GLU 33 Ca 0.02 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1pd7 h GLU 33 Cb 0.93 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1pd7 h GLU 33 CO 0.08 0.00 -0.22 0.82 -1.00 0.00 0.00 179.01 178.69 1pd7 h ILE 34 N 0.00 1.30 0.00 3.13 2.04 -1.22 -2.88 117.51 119.88 1pd7 h ILE 34 Ca 0.28 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1pd7 h ILE 34 Cb 1.12 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1pd7 h ILE 34 CO -0.00 0.44 0.00 -0.07 0.00 0.00 0.00 178.15 178.51 1pd7 h LEU 35 N 0.45 0.00 -1.13 1.44 3.38 -1.23 -2.32 115.31 115.90 1pd7 h LEU 35 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1pd7 h LEU 35 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1pd7 h LEU 35 CO 0.06 0.00 -0.41 0.45 0.09 0.00 0.00 178.44 178.63 1pd7 h HIS 36 N 0.00 0.05 -0.34 1.13 3.86 -0.64 -1.48 115.15 117.73 1pd7 h HIS 36 Ca 0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1pd7 h HIS 36 Cb 0.53 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1pd7 h HIS 36 CO 0.00 0.45 0.23 1.15 0.86 0.00 0.00 177.93 180.62 1pd7 h THR 37 N 0.04 0.98 0.32 2.45 2.02 -1.23 -0.08 112.91 117.42 1pd7 h THR 37 Ca 0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1pd7 h THR 37 Cb 0.74 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1pd7 h THR 37 CO 0.06 0.05 -0.15 0.22 0.37 0.00 0.00 175.52 176.06 1pd7 h TYR 38 N 0.29 -0.40 0.06 3.16 3.20 -1.46 -3.39 116.97 118.42 1pd7 h TYR 38 Ca 0.14 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 1pd7 h TYR 38 Cb 0.21 0.13 0.02 0.00 1.54 0.00 0.00 36.73 38.63 1pd7 h TYR 38 CO -0.00 -0.09 -0.69 0.37 -1.64 0.00 0.00 178.16 176.11 1pd7 h GLN 39 N -0.99 0.36 -0.64 1.82 -0.00 -1.01 -3.33 115.11 111.32 1pd7 h GLN 39 Ca -0.04 -0.47 -0.00 0.00 -0.00 0.00 0.00 58.65 58.14 1pd7 h GLN 39 Cb 0.49 0.15 -0.03 0.00 0.00 0.00 0.00 27.48 28.09 1pd7 h GLN 39 CO 0.07 1.16 0.39 -0.22 0.00 0.00 0.00 178.83 180.23 1pd7 h LYS 40 N -0.22 0.86 0.00 1.69 3.64 -1.18 -0.91 116.57 120.45 1pd7 h LYS 40 Ca -0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1pd7 h LYS 40 Cb 1.45 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1pd7 h LYS 40 CO 0.13 0.60 0.00 0.93 -2.27 0.00 0.00 179.45 178.84 1pd7 h GLU 41 N 0.88 0.00 0.00 1.90 5.08 -1.75 -3.38 114.58 117.30 1pd7 h GLU 41 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1pd7 h GLU 41 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1pd7 h GLU 41 CO -0.04 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.01 1pd7 n GLN 42 N -3.03 0.00 -5.17 2.33 6.02 -0.53 -3.01 117.38 113.99 1pd7 n GLN 42 Ca 0.01 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 1pd7 n GLN 42 Cb 0.32 -0.42 -0.17 0.00 1.02 0.00 0.00 30.24 30.99 1pd7 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pd7 s LEU 43 N -3.64 2.04 0.00 1.08 1.43 -0.46 -4.87 118.68 114.25 1pd7 s LEU 43 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1pd7 s LEU 43 Cb 0.00 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1pd7 s LEU 43 CO 0.00 0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.76 1pd7 n HIS 44 N 3.31 -1.01 0.03 0.29 1.44 -1.26 -4.20 115.22 113.83 1pd7 n HIS 44 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 1pd7 n HIS 44 Cb 0.53 0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.95 1pd7 n HIS 44 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1pd7 n THR 45 N -1.93 0.73 -4.21 0.61 5.66 -1.26 -5.12 114.28 108.76 1pd7 n THR 45 Ca 0.00 0.24 -0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1pd7 n THR 45 Cb 0.00 -1.51 -0.10 0.00 -1.55 0.00 0.00 70.33 67.17 1pd7 n THR 45 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1pd7 s LYS 46 N -2.00 1.01 -1.12 1.09 2.20 -1.26 -5.07 119.74 114.59 1pd7 s LYS 46 Ca 0.00 -1.47 -0.22 0.00 -0.36 0.00 0.00 55.97 53.91 1pd7 s LYS 46 Cb 0.00 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1pd7 s LYS 46 CO 0.00 -0.14 1.85 0.20 -0.36 0.00 0.00 175.35 176.89 1pd7 s GLY 47 N -3.12 0.58 1.22 5.54 0.00 -1.26 -4.97 107.32 105.32 1pd7 s GLY 47 Ca 0.22 -2.17 -0.18 0.00 0.00 0.00 0.00 44.72 42.59 1pd7 s GLY 47 CO 0.02 3.28 1.04 1.09 0.00 0.00 0.00 173.10 178.53 1pd7 s ARG 48 N 5.98 -1.38 0.05 2.90 1.70 -1.26 -4.98 118.95 121.97 1pd7 s ARG 48 Ca 0.63 0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.82 1pd7 s ARG 48 Cb -0.01 -1.55 -0.08 0.00 -0.57 0.00 0.00 34.95 32.73 1pd7 s ARG 48 CO 0.06 -3.88 1.75 -1.25 -1.08 0.00 0.00 175.30 170.90 1pd7 s PRO 49 N -5.08 4.17 0.18 3.89 0.04 -1.26 -4.95 135.00 131.99 1pd7 s PRO 49 Ca 0.69 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.84 1pd7 s PRO 49 Cb -0.15 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.55 1pd7 s PRO 49 CO 0.58 -0.81 1.14 0.12 0.04 0.00 0.00 177.00 178.07 1pd7 s PHE 50 N 3.21 3.53 0.00 0.56 2.19 -1.26 -4.96 117.98 121.24 1pd7 s PHE 50 Ca 0.78 1.54 0.00 0.00 0.33 0.00 0.00 56.93 59.57 1pd7 s PHE 50 Cb -0.40 -3.33 0.00 0.00 -1.31 0.00 0.00 43.02 37.97 1pd7 s PHE 50 CO 0.34 -0.83 0.00 0.54 1.83 0.00 0.00 175.22 177.10 1pd7 n ARG 51 N 2.41 0.00 -0.68 10.12 5.12 -1.16 -5.07 116.66 127.39 1pd7 n ARG 51 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1pd7 n ARG 51 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 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 2.30 -3.77 0.00 -0.13 0.00 -1.26 -4.86 105.19 97.47 1pd7 n GLY 52 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.18 2.51 -3.57 1.61 0.00 -1.26 -5.05 117.12 111.53 1pd7 n MET 53 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 1pd7 n MET 53 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 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 6.72 0.37 3.17 0.01 -1.26 -4.99 113.70 116.73 1pd7 s SER 54 Ca 0.00 0.86 0.15 0.00 1.31 0.00 0.00 55.95 58.27 1pd7 s SER 54 Cb 0.00 -2.21 1.00 0.00 0.21 0.00 0.00 66.02 65.02 1pd7 s SER 54 CO 0.00 0.31 1.78 1.05 0.41 0.00 0.00 173.24 176.79 1pd7 h GLU 55 N 4.57 0.48 -0.93 12.44 -0.00 -2.00 -0.38 114.58 128.76 1pd7 h GLU 55 Ca -0.52 -0.03 0.26 0.00 -0.00 0.00 0.00 59.36 59.07 1pd7 h GLU 55 Cb 1.22 -0.11 -0.14 0.00 -0.00 0.00 0.00 28.75 29.72 1pd7 h GLU 55 CO 0.62 0.32 0.42 1.49 -0.00 0.00 0.00 179.01 181.86 1pd7 h GLU 56 N 0.50 0.33 0.18 1.06 4.22 -1.94 -2.33 114.58 116.60 1pd7 h GLU 56 Ca 0.58 -0.02 -0.34 0.00 0.08 0.00 0.00 59.36 59.66 1pd7 h GLU 56 Cb 1.29 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1pd7 h GLU 56 CO -0.32 0.22 -1.69 1.05 -2.18 0.00 0.00 179.01 176.10 1pd7 h GLU 57 N 0.34 0.38 -0.56 1.92 4.11 -1.47 -1.03 114.58 118.28 1pd7 h GLU 57 Ca 0.62 -0.65 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1pd7 h GLU 57 Cb 1.27 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 1pd7 h GLU 57 CO -0.58 1.29 0.14 -0.24 0.07 0.00 0.00 179.01 179.69 1pd7 h VAL 58 N 0.10 1.23 0.33 -1.06 3.04 -1.46 0.14 116.25 118.57 1pd7 h VAL 58 Ca -0.32 -0.82 -0.01 0.00 -1.01 0.00 0.00 66.70 64.54 1pd7 h VAL 58 Cb 2.09 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1pd7 h VAL 58 CO 0.18 0.31 -0.23 0.15 -1.01 0.00 0.00 177.57 176.97 1pd7 h PHE 59 N 0.83 -0.60 -0.97 3.17 3.04 -1.51 -2.64 116.94 118.27 1pd7 h PHE 59 Ca 0.18 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.26 1pd7 h PHE 59 Cb 0.29 0.22 -0.09 0.00 2.56 0.00 0.00 35.95 38.94 1pd7 h PHE 59 CO 0.02 -0.35 0.59 0.00 -2.02 0.00 0.00 178.31 176.55 1pd7 h THR 60 N -0.55 0.86 0.23 4.41 1.03 0.15 0.18 112.91 119.21 1pd7 h THR 60 Ca -0.03 -0.30 -0.01 0.00 -0.01 0.00 0.00 66.41 66.06 1pd7 h THR 60 Cb 0.47 -0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.44 1pd7 h THR 60 CO 0.01 0.16 -0.11 -0.33 -0.01 0.00 0.00 175.52 175.24 1pd7 h GLU 61 N 0.89 -0.30 -0.93 0.00 4.39 -0.83 -3.12 114.58 114.67 1pd7 h GLU 61 Ca 0.50 0.02 0.20 0.00 0.34 0.00 0.00 59.36 60.42 1pd7 h GLU 61 Cb 0.57 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 1pd7 h GLU 61 CO -0.30 0.07 0.61 0.28 -1.16 0.00 0.00 179.01 178.51 1pd7 h VAL 62 N -0.77 0.68 -0.58 3.13 2.07 -1.16 -1.83 116.25 117.80 1pd7 h VAL 62 Ca -0.03 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1pd7 h VAL 62 Cb 0.50 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1pd7 h VAL 62 CO 0.05 0.09 0.22 0.00 0.02 0.00 0.00 177.57 177.96 1pd7 h ALA 63 N 1.61 1.31 -0.03 1.67 0.00 -0.94 -1.50 119.26 121.39 1pd7 h ALA 63 Ca 0.50 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1pd7 h ALA 63 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1pd7 h ALA 63 CO -0.22 0.51 -0.62 -2.95 0.00 0.00 0.00 179.25 175.97 1pd7 h ASN 64 N 0.83 0.11 1.39 0.00 7.08 -1.27 -1.04 115.58 122.68 1pd7 h ASN 64 Ca 0.20 -0.07 -0.06 0.00 -3.08 0.00 0.00 56.30 53.29 1pd7 h ASN 64 Cb 0.17 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 36.37 1pd7 h ASN 64 CO -0.02 0.70 -0.27 -0.07 -2.08 0.00 0.00 177.43 175.69 1pd7 h LEU 65 N 0.07 0.00 -2.48 6.14 4.07 -1.47 -3.26 115.31 118.38 1pd7 h LEU 65 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1pd7 h LEU 65 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1pd7 h LEU 65 CO 0.09 0.27 0.00 0.49 -1.08 0.00 0.00 178.44 178.21 1pd7 n PHE 66 N -3.25 0.56 -1.92 1.13 3.01 -0.61 -4.99 117.46 111.39 1pd7 n PHE 66 Ca 0.02 -0.35 -0.42 0.00 1.01 0.00 0.00 57.45 57.71 1pd7 n PHE 66 Cb 0.57 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 1pd7 n PHE 66 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pd7 s ARG 67 N -1.19 4.21 0.00 -1.08 3.00 -0.43 -2.81 118.95 120.66 1pd7 s ARG 67 Ca 0.35 2.39 0.00 0.00 -1.00 0.00 0.00 55.73 57.47 1pd7 s ARG 67 Cb 0.19 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 32.03 1pd7 s ARG 67 CO 0.26 -0.57 0.00 0.41 0.00 0.00 0.00 175.30 175.41 1pd7 n GLY 68 N 3.11 3.52 3.31 8.12 0.00 -1.26 -5.05 105.19 116.95 1pd7 n GLY 68 Ca 0.11 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1pd7 n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pd7 s GLN 69 N 0.00 2.77 0.48 1.61 0.00 -1.12 -4.92 119.66 118.47 1pd7 s GLN 69 Ca 0.00 -1.45 0.27 0.00 -0.00 0.00 0.00 55.36 54.18 1pd7 s GLN 69 Cb 0.00 -3.96 1.03 0.00 0.00 0.00 0.00 33.01 30.08 1pd7 s GLN 69 CO 0.00 -1.02 1.86 0.93 0.00 0.00 0.00 175.29 177.07 1pd7 h GLU 70 N 8.57 0.00 -0.86 9.60 4.39 -1.97 -3.28 114.58 131.03 1pd7 h GLU 70 Ca -0.25 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.64 1pd7 h GLU 70 Cb 1.09 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.63 1pd7 h GLU 70 CO 0.83 0.14 0.38 -0.44 -1.16 0.00 0.00 179.01 178.75 1pd7 h ASP 71 N 0.00 0.34 0.12 1.42 5.19 -1.96 -1.60 116.42 119.92 1pd7 h ASP 71 Ca -0.00 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1pd7 h ASP 71 Cb 0.69 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1pd7 h ASP 71 CO 0.02 0.05 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.06 1pd7 h LEU 72 N 0.43 -0.13 -1.76 1.55 3.38 -1.96 -3.03 115.31 113.79 1pd7 h LEU 72 Ca 0.52 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1pd7 h LEU 72 Cb 0.92 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1pd7 h LEU 72 CO -0.49 0.29 -0.06 -0.07 0.09 0.00 0.00 178.44 178.21 1pd7 h LEU 73 N -0.59 0.00 -0.05 1.67 -0.00 -1.68 -1.51 115.31 113.14 1pd7 h LEU 73 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1pd7 h LEU 73 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1pd7 h LEU 73 CO 0.03 0.06 0.01 0.28 -0.00 0.00 0.00 178.44 178.81 1pd7 h SER 74 N 0.00 0.08 0.71 -0.43 0.02 -1.30 -2.85 113.55 109.79 1pd7 h SER 74 Ca -0.00 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1pd7 h SER 74 Cb 0.42 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1pd7 h SER 74 CO 0.01 0.33 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.48 1pd7 h GLU 75 N -0.17 0.00 0.00 3.45 5.08 -1.28 -2.68 114.58 118.99 1pd7 h GLU 75 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1pd7 h GLU 75 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1pd7 h GLU 75 CO 0.00 0.22 -0.06 0.35 -1.00 0.00 0.00 179.01 178.52 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.07 -2.47 116.94 121.30 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 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1pd7 h PHE 76 CO 0.00 0.06 0.00 0.78 -2.23 0.00 0.00 178.31 176.92 1pd7 h GLY 77 N 0.27 0.00 -0.12 2.40 0.00 -1.30 -3.21 103.07 101.10 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 0.01 0.00 0.73 0.06 0.00 0.00 0.00 176.54 177.34 1pd7 h GLN 78 N 0.00 0.14 0.00 4.80 3.07 -1.63 -2.67 115.11 118.81 1pd7 h GLN 78 Ca 0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.52 1pd7 h GLN 78 Cb 0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 27.51 1pd7 h GLN 78 CO 0.00 0.09 -1.80 0.34 0.09 0.00 0.00 178.83 177.55 1pd7 n PHE 79 N -4.35 0.00 -2.91 0.06 7.35 -1.23 -5.06 117.46 111.31 1pd7 n PHE 79 Ca 0.23 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.52 1pd7 n PHE 79 Cb 1.04 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 40.28 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 -5.79 4.39 -0.11 -2.13 1.43 -1.01 -5.01 118.68 110.45 1pd7 s LEU 80 Ca -0.18 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 1pd7 s LEU 80 Cb 0.05 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1pd7 s LEU 80 CO 0.33 -0.11 1.66 -2.84 0.23 0.00 0.00 176.35 175.62 1pd7 s PRO 81 N 0.53 4.03 0.00 1.29 0.02 -1.26 -4.34 135.00 135.27 1pd7 s PRO 81 Ca 0.42 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1pd7 s PRO 81 Cb -0.20 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1pd7 s PRO 81 CO 0.23 -1.02 0.20 0.39 -0.33 0.00 0.00 177.00 176.47 1pd7 n GLU 82 N 7.34 0.00 0.00 5.54 1.02 -1.26 -4.88 120.64 128.39 1pd7 n GLU 82 Ca 0.18 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1pd7 n GLU 82 Cb 0.44 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pd7 n ALA 83 N -1.72 1.48 -1.63 0.62 0.00 -1.26 -5.10 120.51 112.90 1pd7 n ALA 83 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pd7 n ALA 83 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.15 -0.22 0.00 0.00 4.81 -1.26 -5.33 118.16 115.01 1pd7 n LYS 84 Ca 0.00 0.65 0.04 0.00 -0.87 0.00 0.00 58.31 58.13 1pd7 n LYS 84 Cb 0.13 -1.91 0.03 0.00 0.02 0.00 0.00 35.03 33.31 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11