#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 -2.04 0.18 4.31 7.64 -1.26 -4.93 113.62 117.52 1pd7 n SER 2 Ca 0.00 0.13 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1pd7 n SER 2 Cb 0.00 0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1pd7 n SER 2 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1pd7 h ASP 3 N 0.21 -0.43 -3.57 6.43 2.03 -2.09 -3.40 116.42 115.60 1pd7 h ASP 3 Ca 0.00 -0.10 -0.77 0.00 -0.73 0.00 0.00 57.03 55.43 1pd7 h ASP 3 Cb 0.00 0.11 -0.30 0.00 -0.83 0.00 0.00 39.33 38.31 1pd7 h ASP 3 CO 0.00 0.01 0.20 -0.44 -1.03 0.00 0.00 179.24 177.98 1pd7 s SER 4 N -5.01 6.75 -0.10 4.15 0.01 -1.26 -4.76 113.70 113.48 1pd7 s SER 4 Ca -0.11 -3.47 -0.24 0.00 1.31 0.00 0.00 55.95 53.44 1pd7 s SER 4 Cb 0.01 -2.10 -0.28 0.00 0.21 0.00 0.00 66.02 63.86 1pd7 s SER 4 CO 0.37 -0.30 0.77 0.58 0.41 0.00 0.00 173.24 175.07 1pd7 h VAL 5 N 4.02 1.54 0.00 3.43 2.07 -1.92 -3.28 116.25 122.11 1pd7 h VAL 5 Ca 0.15 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1pd7 h VAL 5 Cb 0.88 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1pd7 h VAL 5 CO 0.92 0.65 0.00 -0.33 0.02 0.00 0.00 177.57 178.82 1pd7 h GLU 6 N -0.65 0.00 -0.35 1.57 5.08 -1.97 0.43 114.58 118.69 1pd7 h GLU 6 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1pd7 h GLU 6 Cb 1.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1pd7 h GLU 6 CO 0.06 0.00 0.23 0.35 -1.00 0.00 0.00 179.01 178.65 1pd7 h PHE 7 N 0.00 0.44 -0.08 4.33 3.57 -1.95 -2.00 116.94 121.25 1pd7 h PHE 7 Ca 0.00 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1pd7 h PHE 7 Cb 0.64 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1pd7 h PHE 7 CO 0.00 0.28 -0.70 -0.97 -2.23 0.00 0.00 178.31 174.69 1pd7 h ASN 8 N 0.48 0.42 -0.05 0.41 -0.73 -1.13 -0.12 115.58 114.86 1pd7 h ASN 8 Ca 0.13 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 57.97 1pd7 h ASN 8 Cb -0.06 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 1pd7 h ASN 8 CO -0.03 0.99 -0.12 0.78 -0.37 0.00 0.00 177.43 178.68 1pd7 h ASN 9 N 0.25 0.34 -0.15 1.15 2.35 -0.99 0.10 115.58 118.63 1pd7 h ASN 9 Ca -0.02 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1pd7 h ASN 9 Cb 1.25 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1pd7 h ASN 9 CO 0.12 0.50 -0.06 0.00 -1.65 0.00 0.00 177.43 176.34 1pd7 h ALA 10 N 1.54 0.21 -0.28 -0.83 0.00 -0.62 -2.64 119.26 116.64 1pd7 h ALA 10 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1pd7 h ALA 10 Cb 0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1pd7 h ALA 10 CO 0.02 -0.01 -0.19 0.82 0.00 0.00 0.00 179.25 179.89 1pd7 h ILE 11 N -0.02 0.47 -0.80 0.00 1.08 -0.67 -1.69 117.51 115.88 1pd7 h ILE 11 Ca 0.04 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.66 1pd7 h ILE 11 Cb 0.51 0.47 -0.10 0.00 -3.07 0.00 0.00 36.82 34.63 1pd7 h ILE 11 CO 0.02 0.00 0.35 -1.28 -0.69 0.00 0.00 178.15 176.55 1pd7 h SER 12 N -0.17 0.35 0.14 1.72 0.87 -0.84 0.22 113.55 115.85 1pd7 h SER 12 Ca 0.15 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1pd7 h SER 12 Cb 0.40 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1pd7 h SER 12 CO -0.38 0.12 -0.07 0.22 -0.53 0.00 0.00 176.83 176.19 1pd7 h TYR 13 N 0.49 -0.17 -0.68 2.24 3.20 -1.01 -1.72 116.97 119.31 1pd7 h TYR 13 Ca 0.45 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 1pd7 h TYR 13 Cb 0.69 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1pd7 h TYR 13 CO -0.14 0.12 0.36 0.28 -1.64 0.00 0.00 178.16 177.13 1pd7 h VAL 14 N -0.46 1.21 -0.71 1.81 2.07 -0.86 -0.16 116.25 119.14 1pd7 h VAL 14 Ca -0.02 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1pd7 h VAL 14 Cb 0.37 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1pd7 h VAL 14 CO 0.03 0.24 0.40 0.78 0.02 0.00 0.00 177.57 179.04 1pd7 h ASN 15 N 0.96 0.60 -0.51 0.57 -0.26 -0.52 0.18 115.58 116.60 1pd7 h ASN 15 Ca 0.24 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.96 1pd7 h ASN 15 Cb 0.05 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1pd7 h ASN 15 CO -0.04 0.38 0.11 0.50 -1.06 0.00 0.00 177.43 177.33 1pd7 h LYS 16 N 0.74 0.83 0.08 0.81 3.11 -0.44 -2.39 116.57 119.32 1pd7 h LYS 16 Ca 0.32 -0.21 0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1pd7 h LYS 16 Cb 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1pd7 h LYS 16 CO -0.19 0.81 -0.13 0.82 -2.81 0.00 0.00 179.45 177.95 1pd7 h ILE 17 N 0.72 0.70 -0.76 2.00 2.04 -0.79 -2.43 117.51 118.98 1pd7 h ILE 17 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1pd7 h ILE 17 Cb 0.36 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1pd7 h ILE 17 CO 0.00 0.00 0.45 0.11 0.00 0.00 0.00 178.15 178.72 1pd7 h LYS 18 N -0.26 0.81 0.00 2.37 1.57 -0.57 -0.17 116.57 120.31 1pd7 h LYS 18 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1pd7 h LYS 18 Cb 0.28 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pd7 h LYS 18 CO -0.07 0.54 -0.07 1.15 -0.57 0.00 0.00 179.45 180.42 1pd7 h THR 19 N 0.83 0.28 -0.17 -0.16 2.02 -1.35 -0.86 112.91 113.50 1pd7 h THR 19 Ca 0.33 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1pd7 h THR 19 Cb 0.17 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1pd7 h THR 19 CO -0.17 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.33 1pd7 n ARG 20 N -3.33 2.23 -1.08 6.66 5.12 -0.44 -4.21 116.66 121.60 1pd7 n ARG 20 Ca -0.01 -1.82 -0.10 0.00 -1.93 0.00 0.00 57.85 53.99 1pd7 n ARG 20 Cb 0.25 -1.47 0.28 0.00 -1.16 0.00 0.00 32.46 30.36 1pd7 n ARG 20 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pd7 n PHE 21 N 1.11 2.64 0.06 -1.55 3.01 -0.20 -4.57 117.46 117.95 1pd7 n PHE 21 Ca 0.17 -1.35 -0.09 0.00 1.01 0.00 0.00 57.45 57.19 1pd7 n PHE 21 Cb 0.53 -0.76 0.04 0.00 -0.01 0.00 0.00 39.48 39.28 1pd7 n PHE 21 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1pd7 h LEU 22 N 2.35 0.45 0.00 4.37 3.38 -1.73 -1.82 115.31 122.30 1pd7 h LEU 22 Ca 0.35 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pd7 h LEU 22 Cb 2.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.10 1pd7 h LEU 22 CO 0.83 1.02 -0.28 -0.67 0.09 0.00 0.00 178.44 179.44 1pd7 n ASP 23 N -3.83 0.31 -2.99 -0.43 2.03 -1.26 -4.65 116.55 105.72 1pd7 n ASP 23 Ca -0.04 0.11 -0.24 0.00 0.52 0.00 0.00 54.79 55.14 1pd7 n ASP 23 Cb 0.70 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.56 2.75 0.07 -0.67 8.25 -0.69 -4.93 115.22 118.44 1pd7 n HIS 24 Ca 0.06 -3.88 -0.06 0.00 -0.26 0.00 0.00 57.72 53.58 1pd7 n HIS 24 Cb 0.35 -0.45 -0.09 0.00 1.12 0.00 0.00 29.99 30.92 1pd7 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1pd7 h PRO 25 N 2.97 0.00 -0.05 -0.41 0.13 -1.81 -3.26 132.00 129.57 1pd7 h PRO 25 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1pd7 h PRO 25 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1pd7 h PRO 25 CO 0.71 0.93 -0.10 0.93 -0.23 0.00 0.00 178.00 180.25 1pd7 h GLU 26 N 0.00 0.08 -0.55 0.86 5.08 -1.91 -1.63 114.58 116.51 1pd7 h GLU 26 Ca -0.01 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1pd7 h GLU 26 Cb 1.69 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.90 1pd7 h GLU 26 CO 0.12 0.19 0.38 0.82 -1.00 0.00 0.00 179.01 179.52 1pd7 h ILE 27 N 0.08 0.80 0.00 3.13 2.04 -1.97 -1.71 117.51 119.89 1pd7 h ILE 27 Ca 0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1pd7 h ILE 27 Cb 0.23 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1pd7 h ILE 27 CO 0.01 0.03 -0.07 0.22 0.00 0.00 0.00 178.15 178.35 1pd7 h TYR 28 N 0.16 0.00 -0.00 1.37 3.20 -1.48 0.15 116.97 120.37 1pd7 h TYR 28 Ca 0.26 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1pd7 h TYR 28 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1pd7 h TYR 28 CO -0.00 0.07 -0.02 0.00 -1.64 0.00 0.00 178.16 176.56 1pd7 h ARG 29 N 0.00 0.02 0.04 1.82 2.47 -1.48 -3.39 114.38 113.86 1pd7 h ARG 29 Ca -0.00 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.44 1pd7 h ARG 29 Cb 0.21 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1pd7 h ARG 29 CO 0.01 0.76 -1.08 1.03 0.56 0.00 0.00 179.97 181.24 1pd7 h SER 30 N -0.72 0.74 -0.59 7.04 0.87 -1.26 -3.04 113.55 116.59 1pd7 h SER 30 Ca -0.00 -0.63 0.12 0.00 -1.23 0.00 0.00 61.79 60.04 1pd7 h SER 30 Cb 0.76 -0.23 -0.11 0.00 -0.44 0.00 0.00 62.40 62.38 1pd7 h SER 30 CO 0.00 1.44 -0.19 0.15 -0.53 0.00 0.00 176.83 177.70 1pd7 h PHE 31 N 0.28 -0.45 0.10 2.24 3.57 -0.97 -2.85 116.94 118.87 1pd7 h PHE 31 Ca -0.13 0.06 -0.26 0.00 3.53 0.00 0.00 57.97 61.16 1pd7 h PHE 31 Cb 1.74 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.77 1pd7 h PHE 31 CO 0.09 -0.29 -1.18 -0.07 -2.23 0.00 0.00 178.31 174.63 1pd7 h LEU 32 N -0.05 0.43 -1.20 0.59 3.38 -1.74 -3.20 115.31 113.52 1pd7 h LEU 32 Ca 0.28 -0.44 0.18 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 32 Cb 0.47 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1pd7 h LEU 32 CO -0.63 1.32 0.61 -0.33 0.09 0.00 0.00 178.44 179.50 1pd7 h GLU 33 N 0.10 0.66 0.08 1.13 5.08 -1.41 0.25 114.58 120.47 1pd7 h GLU 33 Ca -0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1pd7 h GLU 33 Cb 1.89 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1pd7 h GLU 33 CO 0.19 0.43 -0.04 0.82 -1.00 0.00 0.00 179.01 179.42 1pd7 h ILE 34 N 0.68 1.01 0.00 3.13 2.04 -1.51 -2.67 117.51 120.18 1pd7 h ILE 34 Ca 0.52 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 1pd7 h ILE 34 Cb 0.91 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1pd7 h ILE 34 CO -0.28 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 177.74 1pd7 h LEU 35 N -0.25 0.00 -1.10 1.44 3.38 -1.35 -2.36 115.31 115.08 1pd7 h LEU 35 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1pd7 h LEU 35 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pd7 h LEU 35 CO 0.02 0.14 -0.40 0.45 0.09 0.00 0.00 178.44 178.74 1pd7 h HIS 36 N 0.00 0.00 0.00 1.13 3.86 -0.45 -1.04 115.15 118.65 1pd7 h HIS 36 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1pd7 h HIS 36 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1pd7 h HIS 36 CO 0.00 0.40 -0.17 1.15 0.86 0.00 0.00 177.93 180.17 1pd7 h THR 37 N 0.00 1.04 0.16 2.45 2.02 -1.07 -2.67 112.91 114.84 1pd7 h THR 37 Ca -0.00 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1pd7 h THR 37 Cb 0.81 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1pd7 h THR 37 CO 0.05 0.17 -0.08 0.22 0.37 0.00 0.00 175.52 176.26 1pd7 h TYR 38 N 0.00 -0.20 0.00 3.16 5.03 -1.47 -3.41 116.97 120.09 1pd7 h TYR 38 Ca -0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1pd7 h TYR 38 Cb 0.32 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 1pd7 h TYR 38 CO 0.00 -0.12 -0.13 0.37 -1.32 0.00 0.00 178.16 176.96 1pd7 h GLN 39 N -0.91 0.00 -0.91 1.82 -0.00 -1.13 -3.10 115.11 110.88 1pd7 h GLN 39 Ca -0.02 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.82 1pd7 h GLN 39 Cb 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 27.48 27.47 1pd7 h GLN 39 CO 0.04 0.13 -0.17 -0.22 0.00 0.00 0.00 178.83 178.60 1pd7 h LYS 40 N 0.00 0.01 0.00 1.69 3.64 -1.70 -2.07 116.57 118.14 1pd7 h LYS 40 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pd7 h LYS 40 Cb 0.49 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1pd7 h LYS 40 CO 0.02 0.01 0.00 0.93 -2.27 0.00 0.00 179.45 178.13 1pd7 h GLU 41 N 0.01 0.00 0.00 1.90 4.39 -1.82 -2.04 114.58 117.01 1pd7 h GLU 41 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1pd7 h GLU 41 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1pd7 h GLU 41 CO -0.92 0.00 -0.49 1.04 -1.16 0.00 0.00 179.01 177.48 1pd7 n GLN 42 N -2.97 0.04 0.00 2.33 6.02 -0.78 -4.79 117.38 117.23 1pd7 n GLN 42 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pd7 n GLN 42 Cb 0.21 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.58 0.00 -2.98 1.08 4.77 -0.77 -4.99 117.00 112.52 1pd7 n LEU 43 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1pd7 n LEU 43 Cb 0.35 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1pd7 n LEU 43 CO 0.35 0.00 0.58 1.57 -1.33 0.00 0.00 177.39 178.56 1pd7 n HIS 44 N 0.00 3.53 -0.09 -1.77 -0.00 -1.26 -4.65 115.22 110.98 1pd7 n HIS 44 Ca 0.00 -3.32 -0.18 0.00 -0.00 0.00 0.00 57.72 54.22 1pd7 n HIS 44 Cb 0.00 -0.62 -0.13 0.00 -0.00 0.00 0.00 29.99 29.24 1pd7 n HIS 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1pd7 n THR 45 N -0.29 1.56 0.03 3.57 5.66 -1.26 -4.90 114.28 118.64 1pd7 n THR 45 Ca 0.39 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1pd7 n THR 45 Cb 0.41 -1.41 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 1pd7 n THR 45 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pd7 n LYS 46 N -3.27 0.00 0.00 1.09 3.00 -1.26 -5.10 118.16 112.61 1pd7 n LYS 46 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.90 1pd7 n LYS 46 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.94 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 2.78 0.77 3.60 3.14 0.00 -1.26 -5.15 105.19 109.07 1pd7 n GLY 47 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 0.37 2.25 -0.19 1.61 1.70 -1.26 -5.09 118.95 118.34 1pd7 s ARG 48 Ca 0.00 -0.96 -0.29 0.00 -0.47 0.00 0.00 55.73 54.00 1pd7 s ARG 48 Cb 0.00 -2.37 -0.02 0.00 -0.57 0.00 0.00 34.95 31.99 1pd7 s ARG 48 CO 0.00 0.52 1.39 -1.25 -1.08 0.00 0.00 175.30 174.88 1pd7 s PRO 49 N -2.18 4.08 0.24 3.89 0.04 -1.26 -4.94 135.00 134.86 1pd7 s PRO 49 Ca 0.22 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1pd7 s PRO 49 Cb -0.11 -3.87 0.02 0.00 0.04 0.00 0.00 34.50 30.58 1pd7 s PRO 49 CO 0.14 -0.92 0.57 0.12 0.04 0.00 0.00 177.00 176.95 1pd7 s PHE 50 N 4.05 0.01 -0.09 0.56 5.36 -1.26 -5.08 117.98 121.54 1pd7 s PHE 50 Ca 0.61 -0.39 -0.10 0.00 -0.96 0.00 0.00 56.93 56.08 1pd7 s PHE 50 Cb -0.23 0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1pd7 s PHE 50 CO 0.21 -1.03 -0.20 0.54 -1.46 0.00 0.00 175.22 173.28 1pd7 n ARG 51 N -0.39 0.30 0.00 10.12 1.74 -1.26 -4.79 116.66 122.38 1pd7 n ARG 51 Ca -0.06 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1pd7 n ARG 51 Cb 0.61 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 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 1.94 -1.64 0.00 -0.13 0.00 -1.26 -4.53 105.19 99.57 1pd7 n GLY 52 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -3.18 1.61 0.00 -1.26 -5.00 117.12 109.29 1pd7 n MET 53 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1pd7 n MET 53 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 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 2.00 6.44 0.47 3.17 0.01 -1.26 -4.94 113.70 119.59 1pd7 s SER 54 Ca 0.00 0.39 0.18 0.00 1.31 0.00 0.00 55.95 57.83 1pd7 s SER 54 Cb 0.00 -2.30 1.17 0.00 0.21 0.00 0.00 66.02 65.09 1pd7 s SER 54 CO 0.00 -0.41 1.97 -0.33 0.41 0.00 0.00 173.24 174.87 1pd7 h GLU 55 N 8.17 0.26 0.00 12.44 3.07 -2.00 -1.30 114.58 135.23 1pd7 h GLU 55 Ca -0.28 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1pd7 h GLU 55 Cb 1.13 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1pd7 h GLU 55 CO 0.77 0.17 -0.00 0.93 -1.40 0.00 0.00 179.01 179.48 1pd7 h GLU 56 N 0.27 0.00 0.13 2.33 3.07 -1.99 -2.95 114.58 115.43 1pd7 h GLU 56 Ca 0.30 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.84 1pd7 h GLU 56 Cb 0.80 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1pd7 h GLU 56 CO -0.07 0.00 -1.56 1.05 -1.40 0.00 0.00 179.01 177.03 1pd7 h GLU 57 N 0.00 0.27 -0.42 2.33 4.11 -1.65 -1.77 114.58 117.45 1pd7 h GLU 57 Ca -0.00 -0.46 -0.08 0.00 0.07 0.00 0.00 59.36 58.89 1pd7 h GLU 57 Cb 0.37 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1pd7 h GLU 57 CO 0.00 1.14 -0.06 -0.24 0.07 0.00 0.00 179.01 179.92 1pd7 h VAL 58 N 0.07 1.24 0.56 -1.06 3.04 -1.53 -0.01 116.25 118.57 1pd7 h VAL 58 Ca -0.26 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.36 1pd7 h VAL 58 Cb 2.03 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1pd7 h VAL 58 CO 0.16 0.36 -0.33 0.15 -1.01 0.00 0.00 177.57 176.90 1pd7 h PHE 59 N 0.66 -0.87 -0.92 3.17 3.57 -1.64 -3.08 116.94 117.84 1pd7 h PHE 59 Ca 0.12 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.75 1pd7 h PHE 59 Cb 0.50 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1pd7 h PHE 59 CO 0.02 -0.51 0.54 0.00 -2.23 0.00 0.00 178.31 176.13 1pd7 h THR 60 N -0.84 0.81 0.07 4.41 1.03 -0.29 -1.07 112.91 117.03 1pd7 h THR 60 Ca -0.07 -0.27 -0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1pd7 h THR 60 Cb 0.67 -0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.71 1pd7 h THR 60 CO 0.08 0.14 -0.03 -0.33 -0.01 0.00 0.00 175.52 175.37 1pd7 h GLU 61 N 0.79 -0.09 -0.42 0.00 4.39 -1.15 -3.26 114.58 114.83 1pd7 h GLU 61 Ca 0.49 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.32 1pd7 h GLU 61 Cb 0.61 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1pd7 h GLU 61 CO -0.32 0.45 0.32 0.28 -1.16 0.00 0.00 179.01 178.58 1pd7 h VAL 62 N -0.73 0.71 -0.87 3.13 2.07 -1.40 -1.00 116.25 118.16 1pd7 h VAL 62 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1pd7 h VAL 62 Cb 0.58 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1pd7 h VAL 62 CO 0.02 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.12 1pd7 h ALA 63 N 1.75 1.27 -0.16 1.67 0.00 -1.24 -2.72 119.26 119.83 1pd7 h ALA 63 Ca 0.20 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1pd7 h ALA 63 Cb 0.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pd7 h ALA 63 CO -0.00 0.62 -0.36 -0.91 0.00 0.00 0.00 179.25 178.60 1pd7 h ASN 64 N 1.21 0.34 -0.19 0.00 2.35 -1.25 -1.82 115.58 116.23 1pd7 h ASN 64 Ca 0.31 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1pd7 h ASN 64 Cb -0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1pd7 h ASN 64 CO -0.06 0.68 0.07 -0.07 -1.65 0.00 0.00 177.43 176.41 1pd7 h LEU 65 N 0.28 0.26 0.00 1.61 4.07 -1.54 -3.26 115.31 116.74 1pd7 h LEU 65 Ca 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1pd7 h LEU 65 Cb 0.77 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1pd7 h LEU 65 CO 0.06 0.35 -1.27 0.49 -1.08 0.00 0.00 178.44 177.00 1pd7 n PHE 66 N -4.84 0.69 -0.16 1.13 3.01 -1.18 -5.03 117.46 111.08 1pd7 n PHE 66 Ca -0.04 0.20 -0.06 0.00 1.01 0.00 0.00 57.45 58.56 1pd7 n PHE 66 Cb 0.12 -0.82 -0.01 0.00 -0.01 0.00 0.00 39.48 38.76 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 -2.54 0.00 0.00 -1.08 0.63 -0.69 -3.07 116.66 109.90 1pd7 n ARG 67 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1pd7 n ARG 67 Cb 0.55 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.32 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pd7 n GLY 68 N 0.40 1.18 3.11 5.14 0.00 -1.26 -5.01 105.19 108.75 1pd7 n GLY 68 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1pd7 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pd7 n GLN 69 N -0.01 3.49 0.24 1.61 6.02 -1.18 -4.79 117.38 122.77 1pd7 n GLN 69 Ca 0.00 -3.61 0.16 0.00 -0.01 0.00 0.00 57.00 53.53 1pd7 n GLN 69 Cb 0.00 -3.00 0.56 0.00 1.02 0.00 0.00 30.24 28.82 1pd7 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pd7 h GLU 70 N 6.33 0.00 -0.94 -1.09 5.08 -1.95 -2.42 114.58 119.60 1pd7 h GLU 70 Ca 0.37 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.86 1pd7 h GLU 70 Cb 0.73 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 1pd7 h GLU 70 CO 1.49 0.00 0.56 -0.44 -1.00 0.00 0.00 179.01 179.62 1pd7 h ASP 71 N 0.00 0.80 0.01 1.42 5.19 -2.00 -2.35 116.42 119.48 1pd7 h ASP 71 Ca 0.00 0.06 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 1pd7 h ASP 71 Cb 0.58 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.01 1pd7 h ASP 71 CO 0.00 0.41 -0.72 -0.07 -3.12 0.00 0.00 179.24 175.74 1pd7 h LEU 72 N 0.87 0.62 -1.83 1.55 3.38 -1.85 -3.12 115.31 114.94 1pd7 h LEU 72 Ca 0.48 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1pd7 h LEU 72 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pd7 h LEU 72 CO -0.29 1.31 -0.06 -0.07 0.09 0.00 0.00 178.44 179.42 1pd7 h LEU 73 N 0.01 0.00 0.22 1.67 -0.00 -1.61 -0.98 115.31 114.61 1pd7 h LEU 73 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1pd7 h LEU 73 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1pd7 h LEU 73 CO 0.14 0.06 -0.10 -1.28 -0.00 0.00 0.00 178.44 177.26 1pd7 h SER 74 N 0.00 -0.25 0.98 -0.43 0.87 -1.43 -3.06 113.55 110.23 1pd7 h SER 74 Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1pd7 h SER 74 Cb 0.40 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1pd7 h SER 74 CO 0.01 0.04 0.00 -0.33 -0.53 0.00 0.00 176.83 176.02 1pd7 h GLU 75 N -0.54 0.00 0.00 2.24 5.08 -1.34 -1.68 114.58 118.34 1pd7 h GLU 75 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1pd7 h GLU 75 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pd7 h GLU 75 CO 0.05 0.00 -0.08 0.35 -1.00 0.00 0.00 179.01 178.33 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.11 -2.57 116.94 121.16 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 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1pd7 h PHE 76 CO 0.00 0.08 0.00 0.78 -2.23 0.00 0.00 178.31 176.94 1pd7 h GLY 77 N 0.40 0.00 2.00 2.40 0.00 -1.24 -1.29 103.07 105.34 1pd7 h GLY 77 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1pd7 h GLY 77 CO 0.01 0.00 -0.64 1.46 0.00 0.00 0.00 176.54 177.37 1pd7 h GLN 78 N 0.00 0.00 0.00 4.80 4.20 -1.63 -3.19 115.11 119.29 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 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1pd7 h GLN 78 CO 0.00 0.64 -0.28 1.19 -0.67 0.00 0.00 178.83 179.71 1pd7 n PHE 79 N -3.52 0.45 -3.91 2.96 3.01 -0.50 -4.54 117.46 111.41 1pd7 n PHE 79 Ca -0.00 0.13 -0.34 0.00 1.01 0.00 0.00 57.45 58.25 1pd7 n PHE 79 Cb 0.70 -0.64 -0.13 0.00 -0.01 0.00 0.00 39.48 39.39 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pd7 s LEU 80 N -3.84 4.66 -0.45 4.37 1.43 -1.14 -5.08 118.68 118.62 1pd7 s LEU 80 Ca 0.10 -1.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.06 1pd7 s LEU 80 Cb 0.15 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1pd7 s LEU 80 CO 0.64 -0.40 1.81 -2.84 0.23 0.00 0.00 176.35 175.79 1pd7 s PRO 81 N 1.08 3.04 0.01 1.29 0.02 -1.26 -4.83 135.00 134.35 1pd7 s PRO 81 Ca 0.05 1.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.97 1pd7 s PRO 81 Cb -0.21 -4.27 -0.30 0.00 0.02 0.00 0.00 34.50 29.75 1pd7 s PRO 81 CO -0.05 -2.22 1.03 1.05 -0.33 0.00 0.00 177.00 176.49 1pd7 h GLU 82 N 13.72 0.49 0.00 5.54 9.09 -1.97 -3.43 114.58 138.02 1pd7 h GLU 82 Ca -0.30 -0.69 0.00 0.00 0.05 0.00 0.00 59.36 58.42 1pd7 h GLU 82 Cb 1.16 0.23 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1pd7 h GLU 82 CO 1.11 1.30 -0.36 0.00 0.05 0.00 0.00 179.01 181.11 1pd7 n ALA 83 N -2.67 1.74 0.00 1.06 0.00 -1.26 -5.02 120.51 114.36 1pd7 n ALA 83 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1pd7 n ALA 83 Cb 0.90 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pd7 n LYS 84 N -1.52 0.00 -0.80 0.00 5.02 -1.26 -5.32 118.16 114.27 1pd7 n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pd7 n LYS 84 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42