#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 6.40 -0.15 4.31 0.01 -1.26 -4.98 113.70 118.02 1pd7 s SER 2 Ca 0.00 2.43 -0.11 0.00 1.31 0.00 0.00 55.95 59.58 1pd7 s SER 2 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1pd7 s SER 2 CO 0.00 -0.77 -0.18 -0.67 0.41 0.00 0.00 173.24 172.03 1pd7 n ASP 3 N 0.01 1.83 -4.42 2.44 -0.08 -1.26 -4.80 116.55 110.27 1pd7 n ASP 3 Ca 0.05 0.57 -0.45 0.00 -1.51 0.00 0.00 54.79 53.45 1pd7 n ASP 3 Cb 0.46 -0.86 -0.02 0.00 2.34 0.00 0.00 41.12 43.04 1pd7 n ASP 3 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1pd7 s SER 4 N -5.87 6.75 -0.02 1.67 1.04 -1.26 -4.80 113.70 111.22 1pd7 s SER 4 Ca -0.18 -2.39 -0.22 0.00 0.48 0.00 0.00 55.95 53.64 1pd7 s SER 4 Cb 0.03 -2.35 -0.25 0.00 0.10 0.00 0.00 66.02 63.55 1pd7 s SER 4 CO 0.28 -0.88 1.04 0.58 0.98 0.00 0.00 173.24 175.24 1pd7 h VAL 5 N 5.34 1.49 0.00 5.02 2.07 -2.00 -3.10 116.25 125.06 1pd7 h VAL 5 Ca 0.17 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1pd7 h VAL 5 Cb 1.00 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1pd7 h VAL 5 CO 1.05 0.60 -0.20 1.05 0.02 0.00 0.00 177.57 180.09 1pd7 h GLU 6 N -0.29 0.00 -0.54 1.57 4.11 -1.99 0.01 114.58 117.45 1pd7 h GLU 6 Ca -0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 1pd7 h GLU 6 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1pd7 h GLU 6 CO 0.10 0.20 -0.09 0.74 0.07 0.00 0.00 179.01 180.03 1pd7 h PHE 7 N 0.00 1.10 -0.00 2.06 -1.00 -1.95 -2.38 116.94 114.77 1pd7 h PHE 7 Ca -0.00 -0.22 -0.18 0.00 2.81 0.00 0.00 57.97 60.38 1pd7 h PHE 7 Cb 0.51 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1pd7 h PHE 7 CO 0.00 1.02 -0.82 -0.91 -1.61 0.00 0.00 178.31 175.99 1pd7 h ASN 8 N 0.89 0.12 -0.18 2.17 2.35 -0.99 0.14 115.58 120.08 1pd7 h ASN 8 Ca 0.14 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1pd7 h ASN 8 Cb 0.64 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1pd7 h ASN 8 CO 0.04 0.89 0.05 0.78 -1.65 0.00 0.00 177.43 177.54 1pd7 h ASN 9 N 0.05 0.34 -0.13 5.81 2.35 -1.12 0.16 115.58 123.05 1pd7 h ASN 9 Ca -0.02 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1pd7 h ASN 9 Cb 1.43 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 1pd7 h ASN 9 CO 0.12 0.37 -0.07 0.00 -1.65 0.00 0.00 177.43 176.19 1pd7 h ALA 10 N 1.68 0.18 0.05 -0.83 0.00 -0.71 -3.22 119.26 116.42 1pd7 h ALA 10 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1pd7 h ALA 10 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pd7 h ALA 10 CO -0.00 -0.02 -0.19 0.82 0.00 0.00 0.00 179.25 179.86 1pd7 h ILE 11 N -0.07 0.55 -0.62 0.00 1.08 -0.31 -2.56 117.51 115.58 1pd7 h ILE 11 Ca 0.03 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.62 1pd7 h ILE 11 Cb 0.54 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1pd7 h ILE 11 CO 0.02 0.00 0.42 -1.28 -0.69 0.00 0.00 178.15 176.62 1pd7 h SER 12 N -0.34 0.29 0.22 1.72 0.87 -0.81 0.38 113.55 115.88 1pd7 h SER 12 Ca 0.04 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1pd7 h SER 12 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1pd7 h SER 12 CO -0.14 0.17 -0.10 0.22 -0.53 0.00 0.00 176.83 176.44 1pd7 h TYR 13 N 0.32 -0.27 -0.97 2.24 3.20 -1.52 -2.61 116.97 117.37 1pd7 h TYR 13 Ca 0.30 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1pd7 h TYR 13 Cb 0.72 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1pd7 h TYR 13 CO -0.00 0.10 0.63 0.28 -1.64 0.00 0.00 178.16 177.53 1pd7 h VAL 14 N -0.72 1.25 -0.48 1.81 2.07 -0.86 -1.54 116.25 117.79 1pd7 h VAL 14 Ca -0.03 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1pd7 h VAL 14 Cb 0.49 -0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.00 1pd7 h VAL 14 CO 0.05 0.24 -0.20 -1.13 0.02 0.00 0.00 177.57 176.56 1pd7 h ASN 15 N 1.31 -0.68 -0.41 0.57 -1.24 -0.37 0.11 115.58 114.88 1pd7 h ASN 15 Ca 0.35 0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.54 1pd7 h ASN 15 Cb -0.14 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1pd7 h ASN 15 CO -0.07 -0.23 0.25 0.50 -1.29 0.00 0.00 177.43 176.59 1pd7 h LYS 16 N -0.09 0.50 -0.34 6.67 3.64 -0.99 -1.78 116.57 124.19 1pd7 h LYS 16 Ca 0.23 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1pd7 h LYS 16 Cb 0.44 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1pd7 h LYS 16 CO -0.54 0.33 0.16 0.82 -2.27 0.00 0.00 179.45 177.95 1pd7 h ILE 17 N 0.52 0.97 -0.13 2.00 2.04 -0.98 -0.15 117.51 121.78 1pd7 h ILE 17 Ca 0.16 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1pd7 h ILE 17 Cb -0.02 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1pd7 h ILE 17 CO -0.06 0.06 -0.06 0.11 0.00 0.00 0.00 178.15 178.20 1pd7 h LYS 18 N 0.33 -0.04 -0.58 2.37 1.57 -0.61 -1.26 116.57 118.35 1pd7 h LYS 18 Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1pd7 h LYS 18 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1pd7 h LYS 18 CO -0.11 -0.03 0.01 1.15 -0.57 0.00 0.00 179.45 179.90 1pd7 h THR 19 N -0.04 1.26 -0.12 -0.16 2.02 -1.10 -3.16 112.91 111.61 1pd7 h THR 19 Ca 0.07 -1.12 -0.15 0.00 0.77 0.00 0.00 66.41 65.98 1pd7 h THR 19 Cb 0.15 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1pd7 h THR 19 CO -0.16 0.40 -0.51 0.03 0.37 0.00 0.00 175.52 175.65 1pd7 h ARG 20 N 0.91 0.56 -1.70 6.66 3.08 -0.97 -3.31 114.38 119.60 1pd7 h ARG 20 Ca 0.17 -0.44 -0.31 0.00 0.07 0.00 0.00 59.98 59.46 1pd7 h ARG 20 Cb 0.54 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1pd7 h ARG 20 CO 0.03 1.07 0.31 1.19 -1.07 0.00 0.00 179.97 181.50 1pd7 n PHE 21 N -4.21 1.28 0.06 3.04 3.72 -0.48 -4.06 117.46 116.80 1pd7 n PHE 21 Ca -0.08 -1.82 -0.16 0.00 -0.05 0.00 0.00 57.45 55.34 1pd7 n PHE 21 Cb 0.60 -1.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 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 3.01 0.67 -0.30 4.37 3.38 -1.65 -2.97 115.31 121.83 1pd7 h LEU 22 Ca 0.27 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pd7 h LEU 22 Cb 0.92 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pd7 h LEU 22 CO 0.66 1.33 0.00 0.47 0.09 0.00 0.00 178.44 181.00 1pd7 n ASP 23 N -3.79 0.45 -3.24 -0.43 9.92 -1.26 -4.12 116.55 114.09 1pd7 n ASP 23 Ca -0.08 -1.61 -0.25 0.00 -0.53 0.00 0.00 54.79 52.32 1pd7 n ASP 23 Cb 0.85 -0.04 -0.08 0.00 -0.64 0.00 0.00 41.12 41.22 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pd7 n HIS 24 N -0.43 -0.31 0.29 1.24 8.25 -1.12 -5.01 115.22 118.13 1pd7 n HIS 24 Ca 0.12 -3.54 0.17 0.00 -0.26 0.00 0.00 57.72 54.21 1pd7 n HIS 24 Cb 0.12 -0.25 0.69 0.00 1.12 0.00 0.00 29.99 31.67 1pd7 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1pd7 h PRO 25 N 4.30 0.00 0.00 -0.41 0.11 -1.71 -2.25 132.00 132.05 1pd7 h PRO 25 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1pd7 h PRO 25 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1pd7 h PRO 25 CO 0.46 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.27 1pd7 h GLU 26 N 0.00 0.00 -0.27 1.05 4.11 -1.95 -2.69 114.58 114.83 1pd7 h GLU 26 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1pd7 h GLU 26 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1pd7 h GLU 26 CO 0.00 0.03 -0.06 0.82 0.07 0.00 0.00 179.01 179.87 1pd7 h ILE 27 N 0.00 1.28 -0.96 -1.06 5.03 -1.74 0.75 117.51 120.81 1pd7 h ILE 27 Ca -0.00 -1.08 0.03 0.00 -0.12 0.00 0.00 64.86 63.69 1pd7 h ILE 27 Cb 0.57 1.42 -0.05 0.00 -3.03 0.00 0.00 36.82 35.73 1pd7 h ILE 27 CO 0.00 0.34 0.63 0.22 -0.68 0.00 0.00 178.15 178.66 1pd7 h TYR 28 N 0.28 1.18 0.09 1.37 3.20 -1.60 0.66 116.97 122.15 1pd7 h TYR 28 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1pd7 h TYR 28 Cb 0.53 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1pd7 h TYR 28 CO 0.05 0.70 -0.04 0.00 -1.64 0.00 0.00 178.16 177.23 1pd7 h ARG 29 N 1.24 -0.11 -0.68 1.82 -0.00 -1.43 -3.35 114.38 111.86 1pd7 h ARG 29 Ca 0.37 0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.78 1pd7 h ARG 29 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 29.92 1pd7 h ARG 29 CO -0.11 0.30 0.12 1.03 0.00 0.00 0.00 179.97 181.32 1pd7 h SER 30 N -0.57 1.07 -0.53 7.04 0.87 -0.53 -3.02 113.55 117.87 1pd7 h SER 30 Ca -0.01 -0.25 0.11 0.00 -1.23 0.00 0.00 61.79 60.40 1pd7 h SER 30 Cb 0.47 -0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 62.04 1pd7 h SER 30 CO 0.02 1.05 -0.20 0.15 -0.53 0.00 0.00 176.83 177.32 1pd7 h PHE 31 N 1.05 -0.49 0.04 2.24 3.57 -1.03 -2.73 116.94 119.59 1pd7 h PHE 31 Ca 0.21 0.05 -0.23 0.00 3.53 0.00 0.00 57.97 61.53 1pd7 h PHE 31 Cb 0.43 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1pd7 h PHE 31 CO 0.03 -0.29 -1.02 -0.07 -2.23 0.00 0.00 178.31 174.73 1pd7 h LEU 32 N -0.08 0.32 -0.83 0.59 3.38 -1.68 -3.02 115.31 113.99 1pd7 h LEU 32 Ca 0.25 -0.29 0.20 0.00 0.09 0.00 0.00 57.88 58.13 1pd7 h LEU 32 Cb 0.46 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 1pd7 h LEU 32 CO -0.59 1.15 0.21 -0.33 0.09 0.00 0.00 178.44 178.98 1pd7 h GLU 33 N 0.10 0.23 -0.01 1.13 5.08 -1.37 0.45 114.58 120.19 1pd7 h GLU 33 Ca -0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pd7 h GLU 33 Cb 1.70 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 1pd7 h GLU 33 CO 0.16 0.16 0.01 0.82 -1.00 0.00 0.00 179.01 179.15 1pd7 h ILE 34 N 0.24 1.11 0.00 3.13 2.04 -1.41 -2.73 117.51 119.89 1pd7 h ILE 34 Ca 0.50 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1pd7 h ILE 34 Cb 0.94 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1pd7 h ILE 34 CO -0.60 0.09 -0.04 -0.07 0.00 0.00 0.00 178.15 177.53 1pd7 h LEU 35 N -0.12 0.00 -0.96 1.44 3.38 -1.26 -2.69 115.31 115.11 1pd7 h LEU 35 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1pd7 h LEU 35 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pd7 h LEU 35 CO -0.00 0.04 0.11 0.45 0.09 0.00 0.00 178.44 179.13 1pd7 h HIS 36 N 0.00 0.90 0.00 1.13 3.86 0.02 -0.62 115.15 120.45 1pd7 h HIS 36 Ca -0.00 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1pd7 h HIS 36 Cb 0.69 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1pd7 h HIS 36 CO 0.00 0.77 -0.06 1.15 0.86 0.00 0.00 177.93 180.65 1pd7 h THR 37 N 0.83 0.98 0.35 2.45 2.02 -1.17 0.24 112.91 118.61 1pd7 h THR 37 Ca 0.18 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1pd7 h THR 37 Cb 0.34 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1pd7 h THR 37 CO 0.00 0.05 -0.17 0.22 0.37 0.00 0.00 175.52 176.00 1pd7 h TYR 38 N 0.00 -0.44 0.11 3.16 5.03 -1.40 -3.38 116.97 120.05 1pd7 h TYR 38 Ca -0.00 -0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.12 1pd7 h TYR 38 Cb 0.10 0.14 0.02 0.00 1.55 0.00 0.00 36.73 38.55 1pd7 h TYR 38 CO 0.00 -0.13 -0.77 0.37 -1.32 0.00 0.00 178.16 176.31 1pd7 h GLN 39 N -1.00 0.33 0.18 1.82 -0.00 -0.67 -3.36 115.11 112.41 1pd7 h GLN 39 Ca -0.05 -0.50 -0.01 0.00 -0.00 0.00 0.00 58.65 58.09 1pd7 h GLN 39 Cb 0.50 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.16 1pd7 h GLN 39 CO 0.08 1.22 -0.09 0.87 0.00 0.00 0.00 178.83 180.91 1pd7 h LYS 40 N -0.31 -0.24 -0.74 1.69 1.79 -0.78 -3.31 116.57 114.68 1pd7 h LYS 40 Ca -0.13 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.51 1pd7 h LYS 40 Cb 1.58 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 32.18 1pd7 h LYS 40 CO 0.15 0.01 0.22 0.93 -1.08 0.00 0.00 179.45 179.67 1pd7 h GLU 41 N -1.02 0.32 0.00 3.15 4.39 -1.74 -0.97 114.58 118.71 1pd7 h GLU 41 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1pd7 h GLU 41 Cb 0.36 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1pd7 h GLU 41 CO 0.04 0.21 0.00 1.04 -1.16 0.00 0.00 179.01 179.14 1pd7 n GLN 42 N -5.10 0.43 -0.13 2.33 3.00 -1.26 -3.91 117.38 112.75 1pd7 n GLN 42 Ca 0.14 0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.15 1pd7 n GLN 42 Cb 0.44 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.21 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1pd7 n LEU 43 N -1.24 2.98 -2.22 1.08 4.77 -0.37 -4.03 117.00 117.97 1pd7 n LEU 43 Ca 0.13 -1.51 -0.28 0.00 -0.03 0.00 0.00 56.01 54.32 1pd7 n LEU 43 Cb 0.19 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1pd7 n LEU 43 CO 0.19 0.50 1.39 0.00 -1.33 0.00 0.00 177.39 178.13 1pd7 n HIS 44 N 0.26 2.50 -3.83 -1.77 1.44 -1.25 -4.80 115.22 107.76 1pd7 n HIS 44 Ca 0.06 -2.53 -0.15 0.00 -2.01 0.00 0.00 57.72 53.09 1pd7 n HIS 44 Cb 0.57 -1.25 -0.16 0.00 0.12 0.00 0.00 29.99 29.27 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1pd7 s THR 45 N -3.76 0.01 0.00 0.61 -1.32 -1.26 -5.10 115.64 104.82 1pd7 s THR 45 Ca 0.51 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 1pd7 s THR 45 Cb 0.40 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 71.28 1pd7 s THR 45 CO -0.05 0.08 0.00 1.17 -2.21 0.00 0.00 174.62 173.61 1pd7 n LYS 46 N 3.93 0.00 -2.72 7.08 3.00 -1.26 -3.28 118.16 124.90 1pd7 n LYS 46 Ca -0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.01 1pd7 n LYS 46 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.60 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 -0.05 1.61 3.04 3.14 0.00 -1.26 -5.09 105.19 106.58 1pd7 n GLY 47 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.03 2.16 -0.31 1.61 1.70 -1.20 -5.10 118.95 114.79 1pd7 s ARG 48 Ca 0.26 -0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 1pd7 s ARG 48 Cb 0.41 -1.90 0.01 0.00 -0.57 0.00 0.00 34.95 32.90 1pd7 s ARG 48 CO -0.00 -0.11 1.24 -1.25 -1.08 0.00 0.00 175.30 174.10 1pd7 s PRO 49 N 1.14 3.95 0.23 3.89 0.04 -1.26 -4.81 135.00 138.18 1pd7 s PRO 49 Ca -0.03 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.99 1pd7 s PRO 49 Cb -0.14 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.58 1pd7 s PRO 49 CO -0.04 -1.07 0.63 0.12 0.04 0.00 0.00 177.00 176.67 1pd7 s PHE 50 N 4.19 -0.19 0.00 0.56 5.36 -1.26 -5.05 117.98 121.59 1pd7 s PHE 50 Ca 0.53 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1pd7 s PHE 50 Cb -0.15 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1pd7 s PHE 50 CO 0.21 -1.06 0.00 0.54 -1.46 0.00 0.00 175.22 173.45 1pd7 n ARG 51 N -0.41 0.00 0.00 10.12 1.74 -1.26 -4.84 116.66 122.01 1pd7 n ARG 51 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1pd7 n ARG 51 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 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 0.00 -1.27 0.00 -0.13 0.00 -1.26 -4.95 105.19 97.58 1pd7 n GLY 52 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.04 0.76 -2.20 1.61 0.00 -1.26 -4.98 117.12 110.02 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 -0.56 6.32 0.48 3.17 0.01 -1.26 -4.90 113.70 116.96 1pd7 s SER 54 Ca 0.00 1.30 0.15 0.00 1.31 0.00 0.00 55.95 58.71 1pd7 s SER 54 Cb 0.00 -2.53 1.14 0.00 0.21 0.00 0.00 66.02 64.83 1pd7 s SER 54 CO 0.00 -1.36 2.08 1.05 0.41 0.00 0.00 173.24 175.41 1pd7 h GLU 55 N 10.93 0.02 0.00 12.44 9.09 -1.95 -0.72 114.58 144.38 1pd7 h GLU 55 Ca -0.31 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.07 1pd7 h GLU 55 Cb 1.14 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1pd7 h GLU 55 CO 1.03 0.09 -0.15 0.93 0.05 0.00 0.00 179.01 180.96 1pd7 h GLU 56 N 0.02 0.00 0.15 1.06 5.08 -1.98 -2.35 114.58 116.55 1pd7 h GLU 56 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1pd7 h GLU 56 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pd7 h GLU 56 CO 0.01 0.15 -1.50 1.05 -1.00 0.00 0.00 179.01 177.72 1pd7 h GLU 57 N 0.00 0.33 -0.46 2.33 4.11 -1.54 0.15 114.58 119.50 1pd7 h GLU 57 Ca -0.00 -0.56 -0.07 0.00 0.07 0.00 0.00 59.36 58.79 1pd7 h GLU 57 Cb 0.55 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1pd7 h GLU 57 CO 0.02 1.22 -0.02 -0.24 0.07 0.00 0.00 179.01 180.06 1pd7 h VAL 58 N 0.09 1.24 0.65 -1.06 3.04 -1.47 -1.61 116.25 117.14 1pd7 h VAL 58 Ca -0.24 -1.02 -0.03 0.00 -1.01 0.00 0.00 66.70 64.40 1pd7 h VAL 58 Cb 2.05 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1pd7 h VAL 58 CO 0.19 0.36 -0.36 0.15 -1.01 0.00 0.00 177.57 176.90 1pd7 h PHE 59 N 0.71 -0.95 -0.90 3.17 3.57 -1.49 -3.24 116.94 117.81 1pd7 h PHE 59 Ca 0.14 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.85 1pd7 h PHE 59 Cb 0.47 0.33 -0.13 0.00 2.79 0.00 0.00 35.95 39.41 1pd7 h PHE 59 CO 0.02 -0.56 0.38 0.00 -2.23 0.00 0.00 178.31 175.92 1pd7 h THR 60 N -0.94 0.44 0.33 4.41 1.03 0.24 0.11 112.91 118.52 1pd7 h THR 60 Ca -0.08 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 66.17 1pd7 h THR 60 Cb 0.75 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1pd7 h THR 60 CO 0.11 0.07 -0.16 -0.33 -0.01 0.00 0.00 175.52 175.20 1pd7 h GLU 61 N 0.37 -0.42 -1.04 0.00 5.08 -1.52 -3.21 114.58 113.83 1pd7 h GLU 61 Ca 0.57 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 59.24 1pd7 h GLU 61 Cb 1.10 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 1pd7 h GLU 61 CO -0.55 -0.13 0.71 0.28 -1.00 0.00 0.00 179.01 178.33 1pd7 h VAL 62 N -0.99 0.51 -0.06 3.13 2.07 -1.41 0.17 116.25 119.67 1pd7 h VAL 62 Ca -0.04 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1pd7 h VAL 62 Cb 0.49 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1pd7 h VAL 62 CO 0.07 0.03 -0.31 0.00 0.02 0.00 0.00 177.57 177.39 1pd7 h ALA 63 N 1.54 1.37 0.03 1.67 0.00 -0.86 -1.50 119.26 121.51 1pd7 h ALA 63 Ca 0.53 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1pd7 h ALA 63 Cb 1.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1pd7 h ALA 63 CO -0.13 0.45 -1.05 -2.95 0.00 0.00 0.00 179.25 175.57 1pd7 h ASN 64 N 0.10 0.08 -0.41 0.00 7.08 -0.66 -2.37 115.58 119.41 1pd7 h ASN 64 Ca 0.01 -0.09 -0.01 0.00 -3.08 0.00 0.00 56.30 53.13 1pd7 h ASN 64 Cb 0.61 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 36.80 1pd7 h ASN 64 CO 0.04 1.07 0.21 -0.07 -2.08 0.00 0.00 177.43 176.60 1pd7 h LEU 65 N 0.01 0.53 -3.27 6.14 4.07 -1.37 -3.27 115.31 118.16 1pd7 h LEU 65 Ca -0.04 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1pd7 h LEU 65 Cb 1.81 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.42 1pd7 h LEU 65 CO 0.14 0.50 0.00 0.49 -1.08 0.00 0.00 178.44 178.49 1pd7 n PHE 66 N -4.69 1.50 -1.82 1.13 3.01 -0.58 -5.03 117.46 110.97 1pd7 n PHE 66 Ca 0.00 -0.68 -0.42 0.00 1.01 0.00 0.00 57.45 57.36 1pd7 n PHE 66 Cb 0.10 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 1pd7 n PHE 66 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1pd7 s ARG 67 N -2.23 4.17 0.00 -1.08 1.70 -0.89 -1.12 118.95 119.50 1pd7 s ARG 67 Ca 0.49 2.50 0.00 0.00 -0.47 0.00 0.00 55.73 58.24 1pd7 s ARG 67 Cb 0.34 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1pd7 s ARG 67 CO 0.19 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1pd7 n GLY 68 N 3.75 2.94 3.43 3.88 0.00 -1.26 -4.97 105.19 112.96 1pd7 n GLY 68 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 4.11 0.48 1.61 -0.21 -0.27 -4.81 119.66 120.42 1pd7 s GLN 69 Ca 0.00 -2.73 0.32 0.00 0.02 0.00 0.00 55.36 52.97 1pd7 s GLN 69 Cb 0.00 -4.93 1.34 0.00 1.00 0.00 0.00 33.01 30.42 1pd7 s GLN 69 CO 0.00 -1.63 1.93 0.93 -2.12 0.00 0.00 175.29 174.40 1pd7 h GLU 70 N 7.07 0.00 -0.62 2.91 5.08 -1.93 -2.91 114.58 124.18 1pd7 h GLU 70 Ca 0.28 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 1pd7 h GLU 70 Cb 0.88 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 70 CO 1.18 0.00 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.66 1pd7 h ASP 71 N 0.00 -0.45 -0.09 1.42 3.32 -1.96 -0.32 116.42 118.34 1pd7 h ASP 71 Ca 0.00 0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1pd7 h ASP 71 Cb 0.42 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1pd7 h ASP 71 CO 0.00 -0.17 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.14 1pd7 h LEU 72 N 0.05 0.28 -2.04 1.55 3.38 -1.90 -3.03 115.31 113.59 1pd7 h LEU 72 Ca 0.31 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1pd7 h LEU 72 Cb 0.50 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pd7 h LEU 72 CO -0.60 0.76 -0.07 -0.07 0.09 0.00 0.00 178.44 178.55 1pd7 h LEU 73 N -0.20 0.00 -0.18 1.67 -0.00 -1.63 0.80 115.31 115.77 1pd7 h LEU 73 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1pd7 h LEU 73 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 1pd7 h LEU 73 CO 0.03 0.07 0.02 0.28 -0.00 0.00 0.00 178.44 178.84 1pd7 h SER 74 N 0.00 0.30 1.01 -0.43 0.02 -0.98 -1.77 113.55 111.70 1pd7 h SER 74 Ca -0.00 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 1pd7 h SER 74 Cb 0.30 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1pd7 h SER 74 CO 0.01 0.51 -0.45 -0.33 -1.14 0.00 0.00 176.83 175.43 1pd7 h GLU 75 N 0.08 0.00 -0.08 3.45 5.08 -1.28 -2.78 114.58 119.06 1pd7 h GLU 75 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1pd7 h GLU 75 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pd7 h GLU 75 CO 0.01 0.45 0.05 0.35 -1.00 0.00 0.00 179.01 178.87 1pd7 h PHE 76 N 0.00 0.08 0.00 4.33 3.57 -0.69 -2.77 116.94 121.47 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 1.07 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1pd7 h PHE 76 CO 0.00 0.05 0.00 0.78 -2.23 0.00 0.00 178.31 176.91 1pd7 h GLY 77 N 0.09 0.00 1.51 2.40 0.00 -1.02 -1.72 103.07 104.32 1pd7 h GLY 77 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 1pd7 h GLY 77 CO -0.01 0.00 -0.72 1.46 0.00 0.00 0.00 176.54 177.28 1pd7 h GLN 78 N 0.00 0.49 0.00 4.80 4.20 -1.64 -3.11 115.11 119.84 1pd7 h GLN 78 Ca 0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1pd7 h GLN 78 Cb 0.14 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1pd7 h GLN 78 CO 0.00 1.02 -0.38 1.19 -0.67 0.00 0.00 178.83 179.99 1pd7 n PHE 79 N -3.87 0.58 -2.56 2.96 3.72 -0.68 -4.79 117.46 112.82 1pd7 n PHE 79 Ca -0.05 0.17 -0.22 0.00 -0.05 0.00 0.00 57.45 57.30 1pd7 n PHE 79 Cb 0.70 -0.70 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 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 -4.12 3.18 0.63 4.37 1.43 -1.01 -5.09 118.68 118.07 1pd7 s LEU 80 Ca 0.09 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1pd7 s LEU 80 Cb 0.14 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1pd7 s LEU 80 CO 0.67 -1.24 1.14 -2.84 0.23 0.00 0.00 176.35 174.30 1pd7 s PRO 81 N -4.86 2.85 0.13 1.29 0.02 -1.26 -4.93 135.00 128.24 1pd7 s PRO 81 Ca 0.58 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 1pd7 s PRO 81 Cb -0.10 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1pd7 s PRO 81 CO 0.40 -1.24 1.45 1.05 -0.33 0.00 0.00 177.00 178.33 1pd7 h GLU 82 N 0.36 0.86 0.00 5.54 4.11 -1.93 -3.47 114.58 120.04 1pd7 h GLU 82 Ca -0.48 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 58.49 1pd7 h GLU 82 Cb 1.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1pd7 h GLU 82 CO 0.54 1.10 0.00 0.00 0.07 0.00 0.00 179.01 180.72 1pd7 n ALA 83 N -2.53 0.12 -2.95 1.06 0.00 -1.26 -5.04 120.51 109.91 1pd7 n ALA 83 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1pd7 n ALA 83 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.60 -0.58 0.00 4.76 -1.26 -5.22 118.16 116.46 1pd7 n LYS 84 Ca 0.00 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1pd7 n LYS 84 Cb 0.00 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57