#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 0.62 -0.10 4.31 1.04 -1.26 -5.15 113.70 113.16 1pd7 s SER 2 Ca 0.00 -1.42 0.04 0.00 0.48 0.00 0.00 55.95 55.05 1pd7 s SER 2 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1pd7 s SER 2 CO 0.00 -1.03 -0.23 -1.81 0.98 0.00 0.00 173.24 171.15 1pd7 s ASP 3 N -3.20 2.98 -0.29 7.02 1.01 -1.26 -5.04 116.67 117.90 1pd7 s ASP 3 Ca 0.35 -0.54 0.08 0.00 0.71 0.00 0.00 52.55 53.15 1pd7 s ASP 3 Cb 0.03 -1.36 0.45 0.00 1.01 0.00 0.00 42.92 43.05 1pd7 s ASP 3 CO 0.17 0.15 1.30 -1.20 0.21 0.00 0.00 175.17 175.80 1pd7 n SER 4 N 3.54 3.54 0.14 0.27 7.64 -1.26 -4.79 113.62 122.70 1pd7 n SER 4 Ca -0.19 -3.82 -0.13 0.00 1.01 0.00 0.00 58.87 55.74 1pd7 n SER 4 Cb 0.53 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.49 0.75 0.00 0.44 2.07 -1.99 -3.01 116.25 116.00 1pd7 h VAL 5 Ca 0.23 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1pd7 h VAL 5 Cb 1.34 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1pd7 h VAL 5 CO 0.48 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.86 1pd7 h GLU 6 N -0.70 0.00 -0.07 1.57 5.08 -1.98 -1.08 114.58 117.40 1pd7 h GLU 6 Ca -0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1pd7 h GLU 6 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1pd7 h GLU 6 CO 0.06 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 178.33 1pd7 h PHE 7 N 0.00 -0.24 0.00 4.33 3.57 -1.91 -1.54 116.94 121.15 1pd7 h PHE 7 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1pd7 h PHE 7 Cb 0.79 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1pd7 h PHE 7 CO 0.00 -0.15 -0.25 -0.91 -2.23 0.00 0.00 178.31 174.77 1pd7 h ASN 8 N -0.13 0.00 0.61 0.41 2.35 -1.10 -1.12 115.58 116.60 1pd7 h ASN 8 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1pd7 h ASN 8 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1pd7 h ASN 8 CO -0.15 0.25 -0.71 0.78 -1.65 0.00 0.00 177.43 175.96 1pd7 h ASN 9 N 0.00 0.10 -0.23 5.81 -0.26 -1.12 -1.18 115.58 118.70 1pd7 h ASN 9 Ca -0.00 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 1pd7 h ASN 9 Cb 0.88 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1pd7 h ASN 9 CO 0.03 0.77 -0.03 0.00 -1.06 0.00 0.00 177.43 177.14 1pd7 h ALA 10 N 1.23 0.31 -0.22 -0.83 0.00 -0.47 -3.25 119.26 116.04 1pd7 h ALA 10 Ca -0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1pd7 h ALA 10 Cb 1.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1pd7 h ALA 10 CO 0.10 0.07 -0.10 0.82 0.00 0.00 0.00 179.25 180.14 1pd7 h ILE 11 N 0.17 0.68 -1.00 0.00 1.08 -1.08 -2.77 117.51 114.59 1pd7 h ILE 11 Ca 0.06 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.76 1pd7 h ILE 11 Cb 0.46 0.68 -0.10 0.00 -3.07 0.00 0.00 36.82 34.80 1pd7 h ILE 11 CO 0.02 0.00 0.63 -1.28 -0.69 0.00 0.00 178.15 176.83 1pd7 h SER 12 N -0.07 0.56 0.30 1.72 0.87 -1.27 0.26 113.55 115.92 1pd7 h SER 12 Ca 0.11 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1pd7 h SER 12 Cb 0.24 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pd7 h SER 12 CO -0.26 0.15 -0.14 0.22 -0.53 0.00 0.00 176.83 176.26 1pd7 h TYR 13 N 0.52 -0.38 -0.21 2.24 3.20 -1.53 -2.54 116.97 118.27 1pd7 h TYR 13 Ca 0.58 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.40 1pd7 h TYR 13 Cb 1.26 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1pd7 h TYR 13 CO -0.00 -0.03 -0.03 0.28 -1.64 0.00 0.00 178.16 176.73 1pd7 h VAL 14 N -0.92 1.15 -0.88 1.81 2.07 -1.26 -1.85 116.25 116.37 1pd7 h VAL 14 Ca -0.04 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1pd7 h VAL 14 Cb 0.51 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1pd7 h VAL 14 CO 0.07 0.20 0.56 -1.13 0.02 0.00 0.00 177.57 177.29 1pd7 h ASN 15 N 0.30 1.04 -0.38 0.57 -1.24 -0.56 0.26 115.58 115.57 1pd7 h ASN 15 Ca 0.07 -0.05 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 1pd7 h ASN 15 Cb 0.26 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1pd7 h ASN 15 CO 0.01 0.78 -0.00 0.11 -1.29 0.00 0.00 177.43 177.04 1pd7 h LYS 16 N 1.21 0.76 0.19 6.67 1.57 -0.91 -0.46 116.57 125.59 1pd7 h LYS 16 Ca 0.32 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1pd7 h LYS 16 Cb -0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1pd7 h LYS 16 CO -0.06 0.77 -0.09 0.82 -0.57 0.00 0.00 179.45 180.32 1pd7 h ILE 17 N 0.71 0.88 -0.66 1.86 2.04 -1.13 -2.38 117.51 118.82 1pd7 h ILE 17 Ca 0.14 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1pd7 h ILE 17 Cb 0.44 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1pd7 h ILE 17 CO 0.02 0.07 0.38 0.07 0.00 0.00 0.00 178.15 178.69 1pd7 h LYS 18 N -0.39 0.70 -0.36 2.37 2.10 -0.35 0.10 116.57 120.73 1pd7 h LYS 18 Ca -0.03 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.50 1pd7 h LYS 18 Cb 0.30 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1pd7 h LYS 18 CO 0.04 0.46 -0.13 1.15 -2.00 0.00 0.00 179.45 178.98 1pd7 h THR 19 N 0.72 1.25 0.01 0.07 2.02 -1.08 -3.11 112.91 112.79 1pd7 h THR 19 Ca 0.29 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1pd7 h THR 19 Cb 0.13 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1pd7 h THR 19 CO -0.16 0.37 -0.00 -0.09 0.37 0.00 0.00 175.52 176.01 1pd7 h ARG 20 N 0.57 -0.01 -1.90 6.66 2.43 -1.08 -3.37 114.38 117.69 1pd7 h ARG 20 Ca 0.10 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.05 1pd7 h ARG 20 Cb 0.55 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 1pd7 h ARG 20 CO 0.03 0.75 0.04 1.19 -1.51 0.00 0.00 179.97 180.47 1pd7 n PHE 21 N -4.72 0.62 0.00 2.20 3.72 -0.01 -3.99 117.46 115.28 1pd7 n PHE 21 Ca -0.09 -1.53 -0.18 0.00 -0.05 0.00 0.00 57.45 55.59 1pd7 n PHE 21 Cb 0.37 -1.09 -0.09 0.00 -0.94 0.00 0.00 39.48 37.73 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 3.68 0.88 0.00 4.37 3.38 -1.72 -2.96 115.31 122.94 1pd7 h LEU 22 Ca 0.19 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1pd7 h LEU 22 Cb 1.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1pd7 h LEU 22 CO 0.39 1.43 0.00 -0.67 0.09 0.00 0.00 178.44 179.68 1pd7 n ASP 23 N -3.96 0.00 -3.25 -0.43 2.03 -1.26 -4.20 116.55 105.49 1pd7 n ASP 23 Ca -0.09 -0.31 -0.25 0.00 0.52 0.00 0.00 54.79 54.66 1pd7 n ASP 23 Cb 0.78 -0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 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 -1.21 0.60 1.04 -0.67 8.25 -1.12 -4.97 115.22 117.14 1pd7 n HIS 24 Ca 0.15 -3.70 0.11 0.00 -0.26 0.00 0.00 57.72 54.01 1pd7 n HIS 24 Cb 0.19 -0.40 0.55 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 1.28 0.33 0.17 -0.41 -0.02 -1.22 -1.73 135.00 133.41 1pd7 n PRO 25 Ca 0.23 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1pd7 n PRO 25 Cb 0.50 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.79 1pd7 n PRO 25 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pd7 h GLU 26 N 0.00 0.00 -0.19 -0.52 4.11 -1.93 -2.92 114.58 113.13 1pd7 h GLU 26 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 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 -0.53 0.82 0.07 0.00 0.00 179.01 179.37 1pd7 h ILE 27 N 0.00 1.32 -0.77 -1.06 1.08 -1.68 -2.32 117.51 114.08 1pd7 h ILE 27 Ca 0.00 -1.77 0.03 0.00 -0.39 0.00 0.00 64.86 62.73 1pd7 h ILE 27 Cb 0.84 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 1pd7 h ILE 27 CO 0.00 0.55 0.51 0.22 -0.69 0.00 0.00 178.15 178.74 1pd7 h TYR 28 N 0.44 0.92 0.37 1.37 3.20 -1.66 -1.49 116.97 120.12 1pd7 h TYR 28 Ca 0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1pd7 h TYR 28 Cb 1.07 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1pd7 h TYR 28 CO 0.04 0.54 -0.18 0.00 -1.64 0.00 0.00 178.16 176.93 1pd7 h ARG 29 N 0.96 -0.47 0.00 1.82 2.47 -1.63 -3.38 114.38 114.15 1pd7 h ARG 29 Ca 0.30 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.99 1pd7 h ARG 29 Cb 0.02 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1pd7 h ARG 29 CO -0.08 -0.27 -0.30 0.77 0.56 0.00 0.00 179.97 180.65 1pd7 h SER 30 N -1.10 0.00 0.22 7.04 0.02 -1.02 -2.17 113.55 116.53 1pd7 h SER 30 Ca -0.05 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1pd7 h SER 30 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1pd7 h SER 30 CO 0.08 0.30 -0.33 0.15 -1.14 0.00 0.00 176.83 175.89 1pd7 h PHE 31 N 0.00 -0.90 -0.29 3.45 3.57 -1.50 -3.11 116.94 118.16 1pd7 h PHE 31 Ca -0.00 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 1pd7 h PHE 31 Cb 0.75 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1pd7 h PHE 31 CO 0.00 -0.45 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.16 1pd7 h LEU 32 N -0.62 0.74 -1.78 0.59 3.38 -1.59 -2.75 115.31 113.28 1pd7 h LEU 32 Ca 0.01 -0.33 0.29 0.00 0.09 0.00 0.00 57.88 57.93 1pd7 h LEU 32 Cb 0.60 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1pd7 h LEU 32 CO -0.13 1.05 0.72 -0.33 0.09 0.00 0.00 178.44 179.84 1pd7 h GLU 33 N 0.57 0.14 -0.20 1.13 4.39 -1.43 0.48 114.58 119.66 1pd7 h GLU 33 Ca 0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1pd7 h GLU 33 Cb 0.93 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1pd7 h GLU 33 CO 0.08 0.09 -0.16 0.82 -1.16 0.00 0.00 179.01 178.68 1pd7 h ILE 34 N 0.14 1.32 -0.26 3.13 2.04 -1.42 -2.39 117.51 120.07 1pd7 h ILE 34 Ca 0.52 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 1pd7 h ILE 34 Cb 1.80 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1pd7 h ILE 34 CO -0.10 0.40 -0.22 -0.07 0.00 0.00 0.00 178.15 178.15 1pd7 h LEU 35 N 0.15 0.48 -1.64 1.44 3.38 -1.05 -2.47 115.31 115.60 1pd7 h LEU 35 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1pd7 h LEU 35 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pd7 h LEU 35 CO 0.04 0.71 -0.12 -0.74 0.09 0.00 0.00 178.44 178.42 1pd7 h HIS 36 N 0.43 0.08 -0.76 1.13 2.76 -0.12 -1.15 115.15 117.52 1pd7 h HIS 36 Ca 0.07 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1pd7 h HIS 36 Cb 0.63 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 1pd7 h HIS 36 CO 0.02 0.20 0.50 0.00 -1.30 0.00 0.00 177.93 177.35 1pd7 h THR 37 N 0.07 1.10 0.28 6.26 1.03 -0.93 -2.54 112.91 118.18 1pd7 h THR 37 Ca 0.02 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.09 1pd7 h THR 37 Cb 0.27 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.47 1pd7 h THR 37 CO 0.02 0.16 -0.13 0.22 -0.01 0.00 0.00 175.52 175.78 1pd7 h TYR 38 N 0.90 -0.35 0.00 0.00 3.20 -1.43 -3.40 116.97 115.89 1pd7 h TYR 38 Ca 0.31 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1pd7 h TYR 38 Cb 0.10 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1pd7 h TYR 38 CO -0.00 -0.22 -0.08 0.37 -1.64 0.00 0.00 178.16 176.59 1pd7 h GLN 39 N -1.05 0.00 -0.99 1.82 -0.00 -1.10 -3.23 115.11 110.56 1pd7 h GLN 39 Ca -0.04 0.00 0.36 0.00 -0.00 0.00 0.00 58.65 58.97 1pd7 h GLN 39 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 27.60 1pd7 h GLN 39 CO 0.06 0.08 0.51 -0.22 0.00 0.00 0.00 178.83 179.27 1pd7 h LYS 40 N 0.00 0.15 0.00 1.69 3.64 -1.68 -1.72 116.57 118.66 1pd7 h LYS 40 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1pd7 h LYS 40 Cb 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1pd7 h LYS 40 CO 0.01 0.10 0.00 1.05 -2.27 0.00 0.00 179.45 178.34 1pd7 h GLU 41 N 0.16 0.00 0.00 1.90 4.11 -1.86 -3.39 114.58 115.50 1pd7 h GLU 41 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.20 1pd7 h GLU 41 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1pd7 h GLU 41 CO -0.70 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.42 1pd7 n GLN 42 N -2.89 0.00 0.00 1.06 6.02 -0.65 -4.99 117.38 115.94 1pd7 n GLN 42 Ca 0.04 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1pd7 n GLN 42 Cb 0.50 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.79 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pd7 n LEU 43 N -1.87 0.00 -4.32 1.08 4.77 -1.24 -3.78 117.00 111.64 1pd7 n LEU 43 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 1pd7 n LEU 43 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1pd7 n LEU 43 CO 0.00 0.00 0.57 -2.28 -1.33 0.00 0.00 177.39 174.35 1pd7 s HIS 44 N 0.00 3.99 0.22 -1.77 5.04 -1.26 -5.04 115.29 116.47 1pd7 s HIS 44 Ca 0.00 -2.34 -0.30 0.00 -1.54 0.00 0.00 55.06 50.88 1pd7 s HIS 44 Cb 0.00 -3.80 -0.09 0.00 0.04 0.00 0.00 32.58 28.73 1pd7 s HIS 44 CO 0.00 -0.96 1.13 -0.08 -2.34 0.00 0.00 174.74 172.49 1pd7 s THR 45 N -0.51 3.61 -0.12 0.89 -1.32 -1.25 -4.98 115.64 111.96 1pd7 s THR 45 Ca 0.24 1.46 -0.04 0.00 -1.21 0.00 0.00 61.69 62.14 1pd7 s THR 45 Cb -0.10 -3.93 -0.01 0.00 -1.51 0.00 0.00 72.50 66.94 1pd7 s THR 45 CO -0.09 0.29 -0.06 0.50 -2.21 0.00 0.00 174.62 173.06 1pd7 h LYS 46 N 4.61 0.00 0.00 7.08 3.11 -1.96 -3.46 116.57 125.94 1pd7 h LYS 46 Ca -0.45 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.36 1pd7 h LYS 46 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1pd7 h LYS 46 CO 0.71 0.01 -0.55 0.41 -2.81 0.00 0.00 179.45 177.22 1pd7 n GLY 47 N 1.72 -0.24 3.72 5.01 0.00 -1.26 -5.05 105.19 109.09 1pd7 n GLY 47 Ca -0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.35 4.40 0.48 1.61 1.70 -1.26 -5.07 118.95 118.45 1pd7 s ARG 48 Ca -0.12 0.73 -0.20 0.00 -0.47 0.00 0.00 55.73 55.67 1pd7 s ARG 48 Cb 0.02 -3.45 -0.09 0.00 -0.57 0.00 0.00 34.95 30.86 1pd7 s ARG 48 CO 0.18 0.08 0.99 -1.25 -1.08 0.00 0.00 175.30 174.23 1pd7 s PRO 49 N 0.78 3.96 0.32 3.89 0.04 -1.26 -4.90 135.00 137.83 1pd7 s PRO 49 Ca 0.33 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.66 1pd7 s PRO 49 Cb -0.17 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1pd7 s PRO 49 CO 0.15 -0.27 -0.10 -0.06 0.04 0.00 0.00 177.00 176.76 1pd7 s PHE 50 N -2.20 2.42 -0.11 0.56 0.08 -1.26 -5.08 117.98 112.39 1pd7 s PHE 50 Ca 0.63 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.17 1pd7 s PHE 50 Cb -0.12 -1.28 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1pd7 s PHE 50 CO 0.20 0.60 -0.21 0.54 -0.10 0.00 0.00 175.22 176.26 1pd7 n ARG 51 N -0.78 0.32 -0.06 0.44 1.74 -1.26 -5.15 116.66 111.91 1pd7 n ARG 51 Ca -0.05 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1pd7 n ARG 51 Cb 0.62 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 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 2.17 0.78 0.00 -0.13 0.00 -1.26 -4.98 105.19 101.77 1pd7 n GLY 52 Ca -0.19 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 3.10 -2.39 1.61 0.00 -1.26 -4.98 117.12 113.19 1pd7 n MET 53 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1pd7 n MET 53 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 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 6.95 0.38 3.17 0.01 -1.26 -4.90 113.70 117.05 1pd7 s SER 54 Ca 0.00 1.79 0.07 0.00 1.31 0.00 0.00 55.95 59.12 1pd7 s SER 54 Cb 0.00 -2.54 0.81 0.00 0.21 0.00 0.00 66.02 64.49 1pd7 s SER 54 CO 0.00 -0.72 1.99 -0.33 0.41 0.00 0.00 173.24 174.59 1pd7 h GLU 55 N 8.05 0.64 0.00 12.44 3.07 -1.93 -0.93 114.58 135.91 1pd7 h GLU 55 Ca -0.30 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1pd7 h GLU 55 Cb 1.13 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1pd7 h GLU 55 CO 0.94 0.42 0.00 0.93 -1.40 0.00 0.00 179.01 179.90 1pd7 h GLU 56 N 0.66 0.00 0.11 2.33 5.08 -1.98 -2.47 114.58 118.30 1pd7 h GLU 56 Ca 0.26 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 1pd7 h GLU 56 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1pd7 h GLU 56 CO -0.07 0.00 -1.51 1.05 -1.00 0.00 0.00 179.01 177.48 1pd7 h GLU 57 N 0.00 0.23 -0.21 2.33 4.11 -1.56 0.53 114.58 120.01 1pd7 h GLU 57 Ca 0.00 -0.39 -0.08 0.00 0.07 0.00 0.00 59.36 58.96 1pd7 h GLU 57 Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1pd7 h GLU 57 CO 0.00 1.09 -0.24 -0.24 0.07 0.00 0.00 179.01 179.69 1pd7 h VAL 58 N 0.06 1.25 0.59 -1.06 3.04 -1.45 -1.90 116.25 116.79 1pd7 h VAL 58 Ca -0.23 -1.18 -0.03 0.00 -1.01 0.00 0.00 66.70 64.25 1pd7 h VAL 58 Cb 2.00 1.35 0.01 0.00 -2.01 0.00 0.00 31.29 32.64 1pd7 h VAL 58 CO 0.16 0.37 -0.28 0.15 -1.01 0.00 0.00 177.57 176.95 1pd7 h PHE 59 N 0.35 -0.74 -0.86 3.17 3.04 -1.51 -3.31 116.94 117.08 1pd7 h PHE 59 Ca 0.06 -0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.20 1pd7 h PHE 59 Cb 0.61 0.24 -0.12 0.00 2.56 0.00 0.00 35.95 39.24 1pd7 h PHE 59 CO 0.02 -0.41 0.33 0.00 -2.02 0.00 0.00 178.31 176.22 1pd7 h THR 60 N -0.93 0.46 0.16 4.41 1.03 -0.12 -2.07 112.91 115.86 1pd7 h THR 60 Ca -0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.19 1pd7 h THR 60 Cb 0.65 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1pd7 h THR 60 CO 0.13 0.06 -0.08 -0.33 -0.01 0.00 0.00 175.52 175.30 1pd7 h GLU 61 N 0.35 -0.21 -0.99 0.00 5.08 -1.57 -3.29 114.58 113.95 1pd7 h GLU 61 Ca 0.53 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 59.16 1pd7 h GLU 61 Cb 0.99 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1pd7 h GLU 61 CO -0.54 0.22 0.67 0.28 -1.00 0.00 0.00 179.01 178.63 1pd7 h VAL 62 N -0.81 0.56 -0.40 3.13 2.07 -1.56 0.11 116.25 119.35 1pd7 h VAL 62 Ca -0.02 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1pd7 h VAL 62 Cb 0.53 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1pd7 h VAL 62 CO 0.04 0.04 0.13 0.00 0.02 0.00 0.00 177.57 177.81 1pd7 h ALA 63 N 1.57 0.47 0.00 1.67 0.00 -1.45 -2.93 119.26 118.59 1pd7 h ALA 63 Ca 0.51 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.39 1pd7 h ALA 63 Cb 1.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1pd7 h ALA 63 CO -0.15 -0.26 -0.41 -2.95 0.00 0.00 0.00 179.25 175.49 1pd7 h ASN 64 N 0.29 0.00 -0.62 0.00 7.08 -1.06 0.25 115.58 121.52 1pd7 h ASN 64 Ca 0.19 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.37 1pd7 h ASN 64 Cb 0.18 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.39 1pd7 h ASN 64 CO -0.20 0.41 0.24 -0.07 -2.08 0.00 0.00 177.43 175.73 1pd7 h LEU 65 N 0.00 0.86 0.07 6.14 4.07 -1.50 -3.36 115.31 121.59 1pd7 h LEU 65 Ca -0.00 -0.18 -0.37 0.00 0.08 0.00 0.00 57.88 57.41 1pd7 h LEU 65 Cb 1.00 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.47 1pd7 h LEU 65 CO 0.05 0.80 -2.21 0.49 -1.08 0.00 0.00 178.44 176.49 1pd7 n PHE 66 N -4.44 0.68 0.00 1.13 3.01 -0.90 -5.06 117.46 111.88 1pd7 n PHE 66 Ca 0.04 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1pd7 n PHE 66 Cb 0.17 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.55 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 -3.36 0.00 0.00 -1.08 -4.01 0.03 -4.33 116.66 103.90 1pd7 n ARG 67 Ca -0.38 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.43 1pd7 n ARG 67 Cb 1.02 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.44 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pd7 n GLY 68 N 0.00 3.60 3.43 2.89 0.00 -1.26 -5.08 105.19 108.78 1pd7 n GLY 68 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 3.45 0.36 1.61 0.00 -1.26 -4.95 119.66 118.87 1pd7 s GLN 69 Ca 0.00 -0.63 0.24 0.00 -0.00 0.00 0.00 55.36 54.97 1pd7 s GLN 69 Cb 0.00 -3.44 0.44 0.00 0.00 0.00 0.00 33.01 30.01 1pd7 s GLN 69 CO 0.00 -0.32 1.61 0.93 0.00 0.00 0.00 175.29 177.51 1pd7 h GLU 70 N 8.28 0.00 -0.80 9.60 4.39 -1.97 -3.36 114.58 130.72 1pd7 h GLU 70 Ca -0.35 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.55 1pd7 h GLU 70 Cb 1.16 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.67 1pd7 h GLU 70 CO 0.60 0.00 0.11 0.22 -1.16 0.00 0.00 179.01 178.77 1pd7 h ASP 71 N 0.00 -0.18 -0.11 1.42 3.58 -1.99 -1.02 116.42 118.12 1pd7 h ASP 71 Ca 0.00 0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1pd7 h ASP 71 Cb 0.93 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 1pd7 h ASP 71 CO 0.00 -0.15 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.07 1pd7 h LEU 72 N 0.16 0.25 -2.00 2.28 3.38 -2.00 -3.05 115.31 114.33 1pd7 h LEU 72 Ca 0.46 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 72 Cb 0.86 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pd7 h LEU 72 CO -0.65 0.63 -0.05 -0.07 0.09 0.00 0.00 178.44 178.39 1pd7 h LEU 73 N -0.13 0.00 0.43 1.67 -0.00 -1.66 -1.91 115.31 113.71 1pd7 h LEU 73 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1pd7 h LEU 73 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1pd7 h LEU 73 CO 0.02 0.05 -0.21 -1.28 -0.00 0.00 0.00 178.44 177.03 1pd7 h SER 74 N 0.00 -0.49 0.68 -0.43 0.87 -1.10 -2.47 113.55 110.60 1pd7 h SER 74 Ca -0.00 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1pd7 h SER 74 Cb 0.33 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1pd7 h SER 74 CO 0.01 -0.16 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.58 1pd7 h GLU 75 N -0.86 0.00 0.00 2.24 5.08 -1.42 -2.28 114.58 117.34 1pd7 h GLU 75 Ca -0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1pd7 h GLU 75 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1pd7 h GLU 75 CO 0.10 0.23 -0.22 0.35 -1.00 0.00 0.00 179.01 178.47 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.30 -3.21 116.94 120.33 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 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1pd7 h PHE 76 CO 0.00 0.22 -0.21 0.78 -2.23 0.00 0.00 178.31 176.88 1pd7 h GLY 77 N 1.02 0.00 0.82 2.40 0.00 -0.92 -3.36 103.07 103.03 1pd7 h GLY 77 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1pd7 h GLY 77 CO 0.03 0.00 -0.12 1.46 0.00 0.00 0.00 176.54 177.91 1pd7 h GLN 78 N 0.00 0.46 0.00 4.80 4.20 -1.61 -3.17 115.11 119.78 1pd7 h GLN 78 Ca 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1pd7 h GLN 78 Cb 0.87 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1pd7 h GLN 78 CO 0.00 0.75 -1.72 0.34 -0.67 0.00 0.00 178.83 177.52 1pd7 n PHE 79 N -4.52 0.16 0.00 2.96 -0.00 -1.26 -4.84 117.46 109.95 1pd7 n PHE 79 Ca -0.05 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1pd7 n PHE 79 Cb 0.34 -0.52 0.00 0.00 -0.00 0.00 0.00 39.48 39.30 1pd7 n PHE 79 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1pd7 n LEU 80 N -2.24 0.00 -4.93 -2.13 4.77 -1.20 -4.80 117.00 106.46 1pd7 n LEU 80 Ca -0.02 0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 56.45 1pd7 n LEU 80 Cb 0.54 -0.36 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1pd7 n LEU 80 CO 0.45 -0.36 0.84 -2.16 -1.33 0.00 0.00 177.39 174.82 1pd7 s PRO 81 N -2.69 0.99 0.42 3.23 0.04 -1.26 -4.96 135.00 130.77 1pd7 s PRO 81 Ca 0.00 -0.33 0.12 0.00 0.04 0.00 0.00 61.00 60.83 1pd7 s PRO 81 Cb 0.00 -1.90 0.98 0.00 0.04 0.00 0.00 34.50 33.62 1pd7 s PRO 81 CO 0.00 -2.18 1.99 1.05 0.04 0.00 0.00 177.00 177.90 1pd7 h GLU 82 N -1.45 0.44 0.00 4.56 4.11 -2.01 -3.45 114.58 116.78 1pd7 h GLU 82 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1pd7 h GLU 82 Cb 1.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pd7 h GLU 82 CO 0.44 0.29 0.00 0.00 0.07 0.00 0.00 179.01 179.82 1pd7 n ALA 83 N -2.51 0.00 0.10 1.06 0.00 -1.26 -5.10 120.51 112.80 1pd7 n ALA 83 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 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 1.17 0.00 0.00 0.00 177.50 178.67 1pd7 n LYS 84 N 0.00 0.00 -0.84 0.00 3.00 -1.26 -5.02 118.16 114.03 1pd7 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pd7 n LYS 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94