#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 -5.61 -0.04 1.62 7.64 -1.26 -5.00 113.62 110.97 1pd7 n SER 2 Ca 0.00 0.75 -0.05 0.00 1.01 0.00 0.00 58.87 60.58 1pd7 n SER 2 Cb 0.00 -3.09 -0.14 0.00 -1.01 0.00 0.00 64.21 59.97 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 0.97 0.40 -1.23 6.43 8.00 -1.26 -5.01 116.55 124.85 1pd7 n ASP 3 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1pd7 n ASP 3 Cb 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pd7 n SER 4 N -2.79 -1.66 -0.07 -2.24 7.64 -1.26 -5.05 113.62 108.20 1pd7 n SER 4 Ca -0.20 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.55 1pd7 n SER 4 Cb 0.99 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.00 1.55 0.00 0.44 2.07 -2.00 -3.33 116.25 114.98 1pd7 h VAL 5 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1pd7 h VAL 5 Cb 0.83 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1pd7 h VAL 5 CO 0.00 0.52 0.00 -0.33 0.02 0.00 0.00 177.57 177.78 1pd7 h GLU 6 N -0.99 0.00 -0.30 1.57 5.08 -1.97 -0.28 114.58 117.69 1pd7 h GLU 6 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1pd7 h GLU 6 Cb 0.86 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.04 1pd7 h GLU 6 CO 0.00 0.00 -0.17 0.35 -1.00 0.00 0.00 179.01 178.19 1pd7 h PHE 7 N 0.00 -0.41 0.00 4.33 3.57 -1.99 0.04 116.94 122.48 1pd7 h PHE 7 Ca 0.00 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1pd7 h PHE 7 Cb 0.62 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1pd7 h PHE 7 CO 0.00 -0.24 -0.26 -0.91 -2.23 0.00 0.00 178.31 174.67 1pd7 h ASN 8 N -0.13 0.00 1.69 0.41 2.35 -1.18 -1.13 115.58 117.58 1pd7 h ASN 8 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1pd7 h ASN 8 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1pd7 h ASN 8 CO -0.38 0.26 -0.24 0.78 -1.65 0.00 0.00 177.43 176.20 1pd7 h ASN 9 N 0.00 0.00 -0.29 5.81 2.35 -1.26 -1.31 115.58 120.88 1pd7 h ASN 9 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1pd7 h ASN 9 Cb 1.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 1pd7 h ASN 9 CO 0.03 0.24 -0.34 0.00 -1.65 0.00 0.00 177.43 175.72 1pd7 h ALA 10 N 1.76 0.43 0.13 -0.83 0.00 -0.19 -2.56 119.26 117.99 1pd7 h ALA 10 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1pd7 h ALA 10 Cb 1.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1pd7 h ALA 10 CO 0.03 0.49 -0.24 0.82 0.00 0.00 0.00 179.25 180.35 1pd7 h ILE 11 N 0.48 0.47 0.00 0.00 1.08 -1.13 -0.81 117.51 117.60 1pd7 h ILE 11 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1pd7 h ILE 11 Cb 0.92 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1pd7 h ILE 11 CO 0.08 0.00 -0.07 0.77 -0.69 0.00 0.00 178.15 178.24 1pd7 h SER 12 N -0.45 0.00 0.12 1.72 4.64 -1.31 0.20 113.55 118.46 1pd7 h SER 12 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1pd7 h SER 12 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1pd7 h SER 12 CO -0.13 0.07 -0.06 0.22 -0.87 0.00 0.00 176.83 176.07 1pd7 h TYR 13 N 0.00 -0.15 -0.91 4.77 3.20 -1.00 -1.15 116.97 121.73 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 0.14 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1pd7 h TYR 13 CO 0.00 0.25 0.60 0.28 -1.64 0.00 0.00 178.16 177.66 1pd7 h VAL 14 N -0.59 1.23 -0.52 1.81 2.07 -0.73 -0.92 116.25 118.59 1pd7 h VAL 14 Ca -0.02 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1pd7 h VAL 14 Cb 0.46 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1pd7 h VAL 14 CO 0.03 0.22 0.18 -1.13 0.02 0.00 0.00 177.57 176.89 1pd7 h ASN 15 N 1.22 0.17 -0.75 0.57 -0.73 -0.66 0.31 115.58 115.72 1pd7 h ASN 15 Ca 0.34 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.57 1pd7 h ASN 15 Cb -0.13 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.48 1pd7 h ASN 15 CO -0.08 0.12 0.46 0.11 -0.37 0.00 0.00 177.43 177.67 1pd7 h LYS 16 N 0.35 1.01 -0.15 6.67 1.57 -0.34 -0.54 116.57 125.14 1pd7 h LYS 16 Ca 0.26 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1pd7 h LYS 16 Cb 0.29 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1pd7 h LYS 16 CO -0.27 0.70 0.09 0.82 -0.57 0.00 0.00 179.45 180.22 1pd7 h ILE 17 N 1.02 1.07 -0.58 1.86 2.04 -0.86 -1.67 117.51 120.39 1pd7 h ILE 17 Ca 0.27 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1pd7 h ILE 17 Cb -0.05 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1pd7 h ILE 17 CO -0.05 0.07 0.34 0.07 0.00 0.00 0.00 178.15 178.57 1pd7 h LYS 18 N 0.16 0.63 -0.37 2.37 2.10 -0.18 -1.34 116.57 119.94 1pd7 h LYS 18 Ca 0.05 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.56 1pd7 h LYS 18 Cb 0.04 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 1pd7 h LYS 18 CO -0.01 0.42 -0.18 1.15 -2.00 0.00 0.00 179.45 178.83 1pd7 h THR 19 N 0.65 1.26 -0.17 0.07 2.02 -0.96 -3.04 112.91 112.74 1pd7 h THR 19 Ca 0.24 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1pd7 h THR 19 Cb 0.07 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1pd7 h THR 19 CO -0.12 0.41 -0.10 0.03 0.37 0.00 0.00 175.52 176.11 1pd7 h ARG 20 N 0.62 0.38 -1.60 6.66 2.47 -1.03 -3.32 114.38 118.56 1pd7 h ARG 20 Ca 0.10 -0.17 -0.40 0.00 -1.26 0.00 0.00 59.98 58.24 1pd7 h ARG 20 Cb 0.65 -0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.81 1pd7 h ARG 20 CO 0.05 0.70 0.45 1.19 0.56 0.00 0.00 179.97 182.92 1pd7 n PHE 21 N -4.58 1.70 0.05 3.04 3.72 -0.53 -4.18 117.46 116.68 1pd7 n PHE 21 Ca -0.05 -2.06 -0.06 0.00 -0.05 0.00 0.00 57.45 55.23 1pd7 n PHE 21 Cb 0.33 -1.11 -0.11 0.00 -0.94 0.00 0.00 39.48 37.65 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 2.83 0.00 -1.08 4.37 3.38 -1.65 -3.05 115.31 120.11 1pd7 h LEU 22 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1pd7 h LEU 22 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pd7 h LEU 22 CO 0.86 0.95 -0.08 -2.24 0.09 0.00 0.00 178.44 178.03 1pd7 h ASP 23 N 0.00 0.00 -2.26 -0.43 3.04 -1.88 -3.36 116.42 111.52 1pd7 h ASP 23 Ca -0.07 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.14 1pd7 h ASP 23 Cb 1.79 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.68 1pd7 h ASP 23 CO 0.11 0.08 -0.89 1.41 -2.04 0.00 0.00 179.24 177.92 1pd7 n HIS 24 N -3.18 0.96 1.73 4.15 8.25 -1.19 -4.99 115.22 120.95 1pd7 n HIS 24 Ca 0.01 -3.75 0.14 0.00 -0.26 0.00 0.00 57.72 53.86 1pd7 n HIS 24 Cb 0.39 -0.30 0.82 0.00 1.12 0.00 0.00 29.99 32.02 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 1.64 0.86 0.16 -0.41 -0.04 -1.16 -1.95 135.00 134.10 1pd7 n PRO 25 Ca 0.25 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1pd7 n PRO 25 Cb 0.47 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.31 0.54 4.11 -1.94 -3.32 114.58 113.65 1pd7 h GLU 26 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1pd7 h GLU 26 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pd7 h GLU 26 CO 0.00 0.31 -0.19 0.82 0.07 0.00 0.00 179.01 180.02 1pd7 h ILE 27 N 0.00 1.29 -0.90 -1.06 1.08 -1.70 0.35 117.51 116.57 1pd7 h ILE 27 Ca -0.01 -1.32 0.13 0.00 -0.39 0.00 0.00 64.86 63.27 1pd7 h ILE 27 Cb 1.26 1.47 -0.09 0.00 -3.07 0.00 0.00 36.82 36.39 1pd7 h ILE 27 CO 0.04 0.43 0.51 0.22 -0.69 0.00 0.00 178.15 178.66 1pd7 h TYR 28 N 0.44 0.91 0.06 1.37 3.20 -1.72 -0.23 116.97 121.01 1pd7 h TYR 28 Ca 0.06 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1pd7 h TYR 28 Cb 0.74 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.74 1pd7 h TYR 28 CO 0.06 0.29 -0.39 0.00 -1.64 0.00 0.00 178.16 176.48 1pd7 h ARG 29 N 0.76 0.15 0.00 1.82 2.47 -1.61 -3.37 114.38 114.60 1pd7 h ARG 29 Ca 0.47 -0.25 -0.11 0.00 -1.26 0.00 0.00 59.98 58.83 1pd7 h ARG 29 Cb 0.58 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1pd7 h ARG 29 CO -0.32 1.11 -0.51 1.03 0.56 0.00 0.00 179.97 181.84 1pd7 h SER 30 N -0.67 0.00 -0.86 7.04 0.87 -0.66 -2.46 113.55 116.80 1pd7 h SER 30 Ca -0.07 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1pd7 h SER 30 Cb 1.30 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.21 1pd7 h SER 30 CO 0.07 0.51 0.57 2.19 -0.53 0.00 0.00 176.83 179.64 1pd7 h PHE 31 N 0.00 1.09 -0.36 2.24 -5.15 -1.23 -3.02 116.94 110.52 1pd7 h PHE 31 Ca -0.01 0.02 -0.11 0.00 -0.20 0.00 0.00 57.97 57.68 1pd7 h PHE 31 Cb 0.98 -0.37 -0.01 0.00 0.22 0.00 0.00 35.95 36.77 1pd7 h PHE 31 CO 0.00 0.69 -0.21 -0.07 -2.00 0.00 0.00 178.31 176.73 1pd7 h LEU 32 N 1.17 0.80 -0.98 2.10 3.38 -1.61 -3.10 115.31 117.07 1pd7 h LEU 32 Ca 0.32 -0.42 0.25 0.00 0.09 0.00 0.00 57.88 58.12 1pd7 h LEU 32 Cb -0.13 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 40.27 1pd7 h LEU 32 CO -0.07 1.04 0.55 -0.33 0.09 0.00 0.00 178.44 179.72 1pd7 h GLU 33 N 0.56 0.49 -0.22 1.13 4.39 -1.36 0.25 114.58 119.81 1pd7 h GLU 33 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1pd7 h GLU 33 Cb 0.76 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1pd7 h GLU 33 CO 0.06 0.32 0.07 0.82 -1.16 0.00 0.00 179.01 179.12 1pd7 h ILE 34 N 0.50 1.19 -0.77 3.13 2.04 -1.47 -1.94 117.51 120.20 1pd7 h ILE 34 Ca 0.64 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1pd7 h ILE 34 Cb 1.26 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 1pd7 h ILE 34 CO -0.51 0.19 0.41 -0.07 0.00 0.00 0.00 178.15 178.18 1pd7 h LEU 35 N 0.18 0.95 -1.84 1.44 3.38 -1.08 -2.21 115.31 116.14 1pd7 h LEU 35 Ca 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1pd7 h LEU 35 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pd7 h LEU 35 CO -0.00 0.77 -0.11 -0.74 0.09 0.00 0.00 178.44 178.45 1pd7 h HIS 36 N 1.07 0.00 -0.34 1.13 2.76 -0.47 -0.10 115.15 119.20 1pd7 h HIS 36 Ca 0.27 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1pd7 h HIS 36 Cb 0.03 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1pd7 h HIS 36 CO 0.01 0.11 0.23 0.00 -1.30 0.00 0.00 177.93 176.97 1pd7 h THR 37 N 0.00 1.07 0.00 6.26 1.03 -0.69 -1.15 112.91 119.43 1pd7 h THR 37 Ca -0.00 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1pd7 h THR 37 Cb 0.39 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1pd7 h THR 37 CO 0.01 0.08 -0.01 0.22 -0.01 0.00 0.00 175.52 175.82 1pd7 h TYR 38 N 0.43 0.00 0.00 0.00 3.20 -1.36 -3.42 116.97 115.82 1pd7 h TYR 38 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 38 Cb -0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1pd7 h TYR 38 CO -0.00 0.11 -0.03 1.96 -1.64 0.00 0.00 178.16 178.56 1pd7 h GLN 39 N -1.00 0.00 -0.11 1.82 1.08 -0.79 -1.92 115.11 114.18 1pd7 h GLN 39 Ca -0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1pd7 h GLN 39 Cb 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 1pd7 h GLN 39 CO -0.00 0.03 -0.26 -0.22 -0.95 0.00 0.00 178.83 177.43 1pd7 h LYS 40 N 0.00 -0.33 0.00 1.46 3.64 -1.46 -2.09 116.57 117.79 1pd7 h LYS 40 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pd7 h LYS 40 Cb 0.19 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pd7 h LYS 40 CO 0.00 -0.22 0.00 1.05 -2.27 0.00 0.00 179.45 178.02 1pd7 h GLU 41 N -0.34 0.00 -0.16 1.90 4.11 -1.53 0.26 114.58 118.81 1pd7 h GLU 41 Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.47 1pd7 h GLU 41 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pd7 h GLU 41 CO -0.31 0.00 -0.12 0.37 0.07 0.00 0.00 179.01 179.02 1pd7 h GLN 42 N 0.00 0.36 -0.05 1.06 5.75 -1.42 -2.99 115.11 117.81 1pd7 h GLN 42 Ca 0.00 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.22 1pd7 h GLN 42 Cb 0.71 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.27 1pd7 h GLN 42 CO 0.00 0.72 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.48 1pd7 h LEU 43 N 0.01 0.39 -7.53 -2.39 3.38 -1.18 -3.38 115.31 104.62 1pd7 h LEU 43 Ca 0.03 -0.68 -0.71 0.00 0.09 0.00 0.00 57.88 56.61 1pd7 h LEU 43 Cb 0.63 -0.12 -0.34 0.00 0.09 0.00 0.00 40.66 40.93 1pd7 h LEU 43 CO 0.03 1.01 -0.22 -1.00 0.09 0.00 0.00 178.44 178.36 1pd7 s HIS 44 N -3.53 3.59 0.15 1.13 3.76 0.06 -5.07 115.29 115.38 1pd7 s HIS 44 Ca -0.14 -2.71 -0.16 0.00 -0.15 0.00 0.00 55.06 51.89 1pd7 s HIS 44 Cb 0.03 -3.30 -0.07 0.00 1.11 0.00 0.00 32.58 30.35 1pd7 s HIS 44 CO 0.78 -0.83 0.59 -0.08 -0.85 0.00 0.00 174.74 174.34 1pd7 s THR 45 N -0.43 4.78 -1.24 1.30 -1.32 -1.13 -4.30 115.64 113.30 1pd7 s THR 45 Ca 0.20 0.99 0.19 0.00 -1.21 0.00 0.00 61.69 61.86 1pd7 s THR 45 Cb -0.15 -3.79 0.72 0.00 -1.51 0.00 0.00 72.50 67.77 1pd7 s THR 45 CO -0.07 0.29 1.62 0.29 -2.21 0.00 0.00 174.62 174.55 1pd7 n LYS 46 N 0.95 3.64 0.00 7.08 5.02 -1.26 -4.91 118.16 128.68 1pd7 n LYS 46 Ca -0.06 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 1pd7 n LYS 46 Cb 0.51 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.21 1.75 3.97 0.72 0.00 -1.26 -5.16 105.19 106.42 1pd7 n GLY 47 Ca 0.26 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 2.19 3.03 -0.21 1.61 1.70 -1.26 -5.04 118.95 120.97 1pd7 s ARG 48 Ca 0.00 -1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 53.90 1pd7 s ARG 48 Cb 0.00 -2.76 -0.04 0.00 -0.57 0.00 0.00 34.95 31.58 1pd7 s ARG 48 CO 0.00 0.04 1.81 -2.14 -1.08 0.00 0.00 175.30 173.93 1pd7 s PRO 49 N -4.16 3.61 0.00 3.89 0.02 -1.26 -4.90 135.00 132.20 1pd7 s PRO 49 Ca 0.45 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1pd7 s PRO 49 Cb -0.09 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1pd7 s PRO 49 CO 0.30 -1.53 0.00 0.34 -0.33 0.00 0.00 177.00 175.78 1pd7 n PHE 50 N 9.36 -0.99 0.00 6.54 7.35 -1.26 -5.13 117.46 133.33 1pd7 n PHE 50 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1pd7 n PHE 50 Cb 0.45 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pd7 n ARG 51 N -0.33 0.00 -3.62 -4.13 5.12 -1.26 -5.03 116.66 107.41 1pd7 n ARG 51 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1pd7 n ARG 51 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1pd7 s GLY 52 N 0.00 -0.60 0.00 -0.13 0.00 -1.26 -4.80 107.32 100.53 1pd7 s GLY 52 Ca 0.00 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.21 1pd7 s GLY 52 CO 0.00 2.81 0.00 1.15 0.00 0.00 0.00 173.10 177.06 1pd7 n MET 53 N 4.88 0.00 -4.34 2.90 0.00 -1.26 -3.10 117.12 116.20 1pd7 n MET 53 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.22 1pd7 n MET 53 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.59 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 -4.00 3.08 0.50 3.17 0.01 -1.26 -5.03 113.70 110.17 1pd7 s SER 54 Ca 0.00 -0.62 0.27 0.00 1.31 0.00 0.00 55.95 56.91 1pd7 s SER 54 Cb 0.00 -1.44 1.30 0.00 0.21 0.00 0.00 66.02 66.09 1pd7 s SER 54 CO 0.00 0.03 2.00 -0.33 0.41 0.00 0.00 173.24 175.35 1pd7 h GLU 55 N 7.69 0.00 0.00 12.44 5.08 -2.00 -1.59 114.58 136.20 1pd7 h GLU 55 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1pd7 h GLU 55 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pd7 h GLU 55 CO 0.60 0.15 0.00 1.05 -1.00 0.00 0.00 179.01 179.81 1pd7 h GLU 56 N 0.00 0.00 0.07 2.33 9.09 -1.96 -3.28 114.58 120.84 1pd7 h GLU 56 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.13 1pd7 h GLU 56 Cb 0.46 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 1pd7 h GLU 56 CO 0.02 0.00 -1.39 1.05 0.05 0.00 0.00 179.01 178.74 1pd7 h GLU 57 N 0.00 0.15 -0.33 1.06 4.11 -1.70 -1.44 114.58 116.43 1pd7 h GLU 57 Ca 0.00 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 1pd7 h GLU 57 Cb 0.55 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1pd7 h GLU 57 CO 0.00 1.01 -0.10 -0.24 0.07 0.00 0.00 179.01 179.75 1pd7 h VAL 58 N 0.04 1.23 0.32 -1.06 3.04 -1.61 -1.18 116.25 117.03 1pd7 h VAL 58 Ca -0.18 -1.01 -0.02 0.00 -1.01 0.00 0.00 66.70 64.49 1pd7 h VAL 58 Cb 1.95 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1pd7 h VAL 58 CO 0.15 0.34 -0.16 0.15 -1.01 0.00 0.00 177.57 177.04 1pd7 h PHE 59 N 0.52 -0.40 -0.70 3.17 3.57 -1.62 -3.14 116.94 118.33 1pd7 h PHE 59 Ca 0.10 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.74 1pd7 h PHE 59 Cb 0.48 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.25 1pd7 h PHE 59 CO 0.02 -0.13 0.16 0.00 -2.23 0.00 0.00 178.31 176.12 1pd7 h THR 60 N -0.64 0.54 -0.06 4.41 1.03 -0.28 0.64 112.91 118.55 1pd7 h THR 60 Ca -0.04 -0.09 -0.17 0.00 -0.01 0.00 0.00 66.41 66.09 1pd7 h THR 60 Cb 0.45 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.78 1pd7 h THR 60 CO 0.07 0.05 -0.71 -0.33 -0.01 0.00 0.00 175.52 174.59 1pd7 h GLU 61 N 0.26 0.32 0.00 0.00 4.39 -1.39 -2.83 114.58 115.33 1pd7 h GLU 61 Ca 0.39 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1pd7 h GLU 61 Cb 0.64 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1pd7 h GLU 61 CO -0.49 0.91 -0.50 0.28 -1.16 0.00 0.00 179.01 178.05 1pd7 h VAL 62 N 0.22 1.22 -0.44 3.13 2.07 -1.23 -2.84 116.25 118.38 1pd7 h VAL 62 Ca -0.02 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.57 1pd7 h VAL 62 Cb 1.28 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1pd7 h VAL 62 CO 0.12 0.49 -0.24 0.00 0.02 0.00 0.00 177.57 177.96 1pd7 h ALA 63 N 1.50 0.74 -0.26 1.67 0.00 -0.81 -2.71 119.26 119.39 1pd7 h ALA 63 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1pd7 h ALA 63 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1pd7 h ALA 63 CO 0.06 0.66 -0.49 -2.95 0.00 0.00 0.00 179.25 176.54 1pd7 h ASN 64 N 0.79 0.77 1.75 0.00 7.08 -1.26 -2.92 115.58 121.78 1pd7 h ASN 64 Ca 0.10 -0.39 0.00 0.00 -3.08 0.00 0.00 56.30 52.93 1pd7 h ASN 64 Cb 0.80 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.82 1pd7 h ASN 64 CO 0.07 1.13 -0.15 0.17 -2.08 0.00 0.00 177.43 176.56 1pd7 h LEU 65 N 0.56 0.00 -1.41 6.14 -0.00 -1.56 -3.29 115.31 115.75 1pd7 h LEU 65 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1pd7 h LEU 65 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1pd7 h LEU 65 CO 0.10 0.00 -0.03 0.49 -0.00 0.00 0.00 178.44 179.01 1pd7 n PHE 66 N -2.88 0.00 -1.66 0.17 3.01 -1.02 -4.99 117.46 110.09 1pd7 n PHE 66 Ca 0.04 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.04 1pd7 n PHE 66 Cb 0.51 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1pd7 n ARG 67 N 0.70 1.98 0.00 -1.08 1.85 -1.12 -2.16 116.66 116.82 1pd7 n ARG 67 Ca 0.16 0.71 0.00 0.00 -1.00 0.00 0.00 57.85 57.72 1pd7 n ARG 67 Cb 0.48 -2.38 0.00 0.00 -1.05 0.00 0.00 32.46 29.50 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pd7 n GLY 68 N 2.50 3.19 3.26 2.89 0.00 -1.26 -5.03 105.19 110.74 1pd7 n GLY 68 Ca 0.13 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 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 3.28 0.17 1.61 -0.21 -0.92 -4.91 119.66 118.68 1pd7 s GLN 69 Ca 0.00 -2.47 0.10 0.00 0.02 0.00 0.00 55.36 53.01 1pd7 s GLN 69 Cb 0.00 -4.22 -0.12 0.00 1.00 0.00 0.00 33.01 29.67 1pd7 s GLN 69 CO 0.00 -1.26 1.32 1.05 -2.12 0.00 0.00 175.29 174.28 1pd7 h GLU 70 N 7.58 0.00 -0.76 2.91 4.11 -1.96 -3.33 114.58 123.12 1pd7 h GLU 70 Ca 0.06 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.60 1pd7 h GLU 70 Cb 1.01 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 1pd7 h GLU 70 CO 0.75 0.82 0.37 -0.44 0.07 0.00 0.00 179.01 180.58 1pd7 h ASP 71 N 0.00 0.46 -0.35 3.06 5.19 -1.99 -0.13 116.42 122.67 1pd7 h ASP 71 Ca -0.01 0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1pd7 h ASP 71 Cb 1.65 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.14 1pd7 h ASP 71 CO 0.11 0.24 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.34 1pd7 h LEU 72 N 0.60 0.72 0.00 1.55 3.38 -2.00 -2.19 115.31 117.37 1pd7 h LEU 72 Ca 0.39 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1pd7 h LEU 72 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1pd7 h LEU 72 CO -0.31 0.82 -0.59 -0.07 0.09 0.00 0.00 178.44 178.38 1pd7 h LEU 73 N 0.69 0.00 0.17 1.67 3.38 -1.63 -2.70 115.31 116.89 1pd7 h LEU 73 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1pd7 h LEU 73 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pd7 h LEU 73 CO 0.03 0.49 -0.08 -1.28 0.09 0.00 0.00 178.44 177.68 1pd7 h SER 74 N 0.00 -0.19 0.89 -0.43 0.87 -0.55 -2.86 113.55 111.28 1pd7 h SER 74 Ca -0.02 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1pd7 h SER 74 Cb 1.39 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1pd7 h SER 74 CO 0.06 0.02 0.00 -0.33 -0.53 0.00 0.00 176.83 176.05 1pd7 h GLU 75 N -0.40 0.00 -0.26 2.24 3.07 -1.49 -3.29 114.58 114.44 1pd7 h GLU 75 Ca -0.02 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1pd7 h GLU 75 Cb 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1pd7 h GLU 75 CO 0.04 0.00 0.33 0.35 -1.40 0.00 0.00 179.01 178.33 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.04 -1.23 0.14 116.94 123.22 1pd7 h PHE 76 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pd7 h PHE 76 Cb 0.44 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1pd7 h PHE 76 CO 0.00 0.00 0.13 0.78 -2.02 0.00 0.00 178.31 177.20 1pd7 h GLY 77 N 0.00 0.00 1.71 2.40 0.00 -1.70 -2.04 103.07 103.43 1pd7 h GLY 77 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1pd7 h GLY 77 CO -0.00 0.00 0.17 0.06 0.00 0.00 0.00 176.54 176.77 1pd7 h GLN 78 N 0.00 0.28 0.00 4.80 3.07 -1.00 -2.95 115.11 119.30 1pd7 h GLN 78 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 1pd7 h GLN 78 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1pd7 h GLN 78 CO 0.00 0.18 -1.04 0.74 0.09 0.00 0.00 178.83 178.81 1pd7 h PHE 79 N 0.29 0.00 -2.46 0.06 0.04 -1.58 -3.47 116.94 109.81 1pd7 h PHE 79 Ca 0.10 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.35 1pd7 h PHE 79 Cb 0.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1pd7 h PHE 79 CO -0.00 0.19 -0.47 -0.51 -0.60 0.00 0.00 178.31 176.92 1pd7 s LEU 80 N -5.58 4.26 0.88 1.54 1.43 -1.12 -5.11 118.68 114.99 1pd7 s LEU 80 Ca -0.01 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1pd7 s LEU 80 Cb 0.09 -2.82 0.12 0.00 0.03 0.00 0.00 46.19 43.61 1pd7 s LEU 80 CO 0.79 0.02 1.14 -2.16 0.23 0.00 0.00 176.35 176.36 1pd7 s PRO 81 N -3.44 1.38 0.00 1.29 0.04 -1.26 -4.92 135.00 128.08 1pd7 s PRO 81 Ca 0.34 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1pd7 s PRO 81 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1pd7 s PRO 81 CO 0.28 -2.04 0.22 0.39 0.04 0.00 0.00 177.00 175.89 1pd7 n GLU 82 N -3.66 0.00 0.00 4.56 1.02 -1.26 -5.06 120.64 116.24 1pd7 n GLU 82 Ca 0.07 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1pd7 n GLU 82 Cb 0.59 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.88 0.00 -3.02 0.62 0.00 -1.26 -5.05 120.51 110.93 1pd7 n ALA 83 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pd7 n ALA 83 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 1.01 0.00 0.00 -0.00 -1.26 -5.25 118.16 112.66 1pd7 n LYS 84 Ca 0.00 -2.99 0.01 0.00 -0.00 0.00 0.00 58.31 55.33 1pd7 n LYS 84 Cb 0.00 -1.45 0.01 0.00 -0.00 0.00 0.00 35.03 33.59 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94