#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 4.42 -0.10 1.62 1.04 -1.26 -5.01 113.70 114.42 1pd7 s SER 2 Ca 0.00 2.22 -0.06 0.00 0.48 0.00 0.00 55.95 58.59 1pd7 s SER 2 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1pd7 s SER 2 CO 0.00 -2.10 -0.12 -0.78 0.98 0.00 0.00 173.24 171.22 1pd7 h ASP 3 N -0.30 0.00 -0.34 7.02 1.82 -2.08 -3.49 116.42 119.05 1pd7 h ASP 3 Ca -0.47 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.12 1pd7 h ASP 3 Cb 1.28 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1pd7 h ASP 3 CO 0.51 0.52 -0.06 -1.20 -1.61 0.00 0.00 179.24 177.39 1pd7 n SER 4 N -3.91 -1.77 -0.02 2.28 7.64 -1.26 -4.97 113.62 111.61 1pd7 n SER 4 Ca -0.05 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1pd7 n SER 4 Cb 0.18 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.33 0.00 0.44 2.07 -1.98 -1.14 116.25 115.97 1pd7 h VAL 5 Ca -0.06 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1pd7 h VAL 5 Cb 0.96 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1pd7 h VAL 5 CO 0.07 0.00 -0.38 1.05 0.02 0.00 0.00 177.57 178.33 1pd7 h GLU 6 N -0.34 0.00 -0.58 1.57 4.11 -1.98 -0.19 114.58 117.18 1pd7 h GLU 6 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.47 1pd7 h GLU 6 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1pd7 h GLU 6 CO -0.37 0.38 0.07 0.35 0.07 0.00 0.00 179.01 179.51 1pd7 h PHE 7 N 0.00 1.04 0.02 2.06 3.04 -1.87 -1.85 116.94 119.38 1pd7 h PHE 7 Ca -0.00 -0.15 -0.21 0.00 3.98 0.00 0.00 57.97 61.58 1pd7 h PHE 7 Cb 0.81 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1pd7 h PHE 7 CO 0.00 0.91 -0.95 -0.97 -2.02 0.00 0.00 178.31 175.28 1pd7 h ASN 8 N 0.86 0.25 -0.12 0.41 -0.73 -0.46 0.11 115.58 115.89 1pd7 h ASN 8 Ca 0.17 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 1pd7 h ASN 8 Cb 0.45 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1pd7 h ASN 8 CO 0.02 1.07 -0.03 0.78 -0.37 0.00 0.00 177.43 178.89 1pd7 h ASN 9 N 0.09 0.34 -0.16 1.15 2.35 -1.01 0.73 115.58 119.07 1pd7 h ASN 9 Ca -0.05 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1pd7 h ASN 9 Cb 1.62 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.90 1pd7 h ASN 9 CO 0.14 0.42 -0.39 0.00 -1.65 0.00 0.00 177.43 175.95 1pd7 h ALA 10 N 1.62 0.26 -0.01 -0.83 0.00 -0.37 -3.18 119.26 116.76 1pd7 h ALA 10 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1pd7 h ALA 10 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1pd7 h ALA 10 CO 0.01 0.36 -0.22 0.82 0.00 0.00 0.00 179.25 180.22 1pd7 h ILE 11 N 0.18 0.49 -0.83 0.00 1.08 -0.57 -2.87 117.51 115.00 1pd7 h ILE 11 Ca -0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 1pd7 h ILE 11 Cb 1.00 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 1pd7 h ILE 11 CO 0.09 0.00 0.54 -1.28 -0.69 0.00 0.00 178.15 176.81 1pd7 h SER 12 N -0.34 0.67 0.27 1.72 0.87 -0.95 0.20 113.55 116.00 1pd7 h SER 12 Ca 0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1pd7 h SER 12 Cb 0.42 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1pd7 h SER 12 CO -0.20 0.38 -0.13 0.22 -0.53 0.00 0.00 176.83 176.57 1pd7 h TYR 13 N 0.74 -0.34 -1.00 2.24 3.20 -1.50 -0.41 116.97 119.91 1pd7 h TYR 13 Ca 0.39 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1pd7 h TYR 13 Cb 0.52 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1pd7 h TYR 13 CO -0.00 -0.04 0.65 0.28 -1.64 0.00 0.00 178.16 177.41 1pd7 h VAL 14 N -0.62 1.26 -0.19 1.81 2.07 -1.16 -0.29 116.25 119.12 1pd7 h VAL 14 Ca -0.04 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1pd7 h VAL 14 Cb 0.44 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1pd7 h VAL 14 CO 0.06 0.25 0.06 -1.13 0.02 0.00 0.00 177.57 176.84 1pd7 h ASN 15 N 1.36 0.07 -0.94 0.57 -1.24 -0.62 0.16 115.58 114.94 1pd7 h ASN 15 Ca 0.36 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.43 1pd7 h ASN 15 Cb -0.14 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 1pd7 h ASN 15 CO -0.08 0.07 0.62 0.50 -1.29 0.00 0.00 177.43 177.25 1pd7 h LYS 16 N 0.15 1.16 0.15 6.67 3.64 -0.52 0.10 116.57 127.93 1pd7 h LYS 16 Ca 0.08 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1pd7 h LYS 16 Cb 0.05 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1pd7 h LYS 16 CO -0.09 0.77 -0.07 0.82 -2.27 0.00 0.00 179.45 178.61 1pd7 h ILE 17 N 1.20 0.92 -0.96 2.00 2.04 -0.87 -1.80 117.51 120.03 1pd7 h ILE 17 Ca 0.37 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1pd7 h ILE 17 Cb -0.01 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1pd7 h ILE 17 CO -0.11 0.07 0.64 0.07 0.00 0.00 0.00 178.15 178.82 1pd7 h LYS 18 N -0.34 1.24 -0.02 2.37 2.10 -0.28 0.50 116.57 122.14 1pd7 h LYS 18 Ca -0.02 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 1pd7 h LYS 18 Cb 0.27 -0.28 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1pd7 h LYS 18 CO 0.03 0.82 -0.58 1.15 -2.00 0.00 0.00 179.45 178.88 1pd7 h THR 19 N 1.28 1.41 0.11 0.07 2.02 -0.75 -3.21 112.91 113.84 1pd7 h THR 19 Ca 0.36 -1.97 -0.32 0.00 0.77 0.00 0.00 66.41 65.25 1pd7 h THR 19 Cb -0.11 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1pd7 h THR 19 CO -0.09 0.57 -1.68 0.03 0.37 0.00 0.00 175.52 174.72 1pd7 h ARG 20 N 0.05 0.23 -2.14 6.66 3.08 -1.06 -3.37 114.38 117.83 1pd7 h ARG 20 Ca -0.00 -0.39 -0.44 0.00 0.07 0.00 0.00 59.98 59.21 1pd7 h ARG 20 Cb 1.04 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.11 1pd7 h ARG 20 CO 0.08 1.06 0.62 1.19 -1.07 0.00 0.00 179.97 181.85 1pd7 n PHE 21 N -3.41 1.27 0.03 3.04 3.72 0.14 -4.12 117.46 118.13 1pd7 n PHE 21 Ca -0.21 -1.98 -0.18 0.00 -0.05 0.00 0.00 57.45 55.03 1pd7 n PHE 21 Cb 1.05 -1.57 -0.14 0.00 -0.94 0.00 0.00 39.48 37.87 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 4.65 0.35 -0.71 4.37 3.38 -1.74 -3.26 115.31 122.36 1pd7 h LEU 22 Ca 0.40 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1pd7 h LEU 22 Cb 0.89 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1pd7 h LEU 22 CO 0.81 1.56 0.00 0.44 0.09 0.00 0.00 178.44 181.34 1pd7 h ASP 23 N 0.06 0.00 -2.29 -0.43 3.32 -1.92 -3.36 116.42 111.79 1pd7 h ASP 23 Ca -0.33 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.13 1pd7 h ASP 23 Cb 2.03 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 41.19 1pd7 h ASP 23 CO 0.12 0.00 -0.92 1.41 -1.72 0.00 0.00 179.24 178.13 1pd7 n HIS 24 N -2.37 0.45 0.77 4.55 8.25 -1.24 -4.98 115.22 120.64 1pd7 n HIS 24 Ca 0.02 -3.65 0.09 0.00 -0.26 0.00 0.00 57.72 53.92 1pd7 n HIS 24 Cb 0.27 -0.19 0.43 0.00 1.12 0.00 0.00 29.99 31.62 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 1.91 0.16 0.16 -0.41 -0.02 -1.23 -2.26 135.00 133.31 1pd7 n PRO 25 Ca 0.25 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1pd7 n PRO 25 Cb 0.47 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.51 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 -0.23 -0.52 4.11 -1.94 -3.31 114.58 112.70 1pd7 h GLU 26 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1pd7 h GLU 26 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pd7 h GLU 26 CO 0.00 0.39 -0.33 0.82 0.07 0.00 0.00 179.01 179.97 1pd7 h ILE 27 N 0.00 1.32 -0.69 -1.06 1.08 -1.79 0.20 117.51 116.57 1pd7 h ILE 27 Ca -0.01 -1.52 0.14 0.00 -0.39 0.00 0.00 64.86 63.08 1pd7 h ILE 27 Cb 1.31 1.75 -0.10 0.00 -3.07 0.00 0.00 36.82 36.70 1pd7 h ILE 27 CO 0.05 0.48 0.15 0.22 -0.69 0.00 0.00 178.15 178.36 1pd7 h TYR 28 N 0.33 0.24 0.00 1.37 3.20 -1.72 -0.57 116.97 119.81 1pd7 h TYR 28 Ca 0.02 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1pd7 h TYR 28 Cb 0.91 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.18 1pd7 h TYR 28 CO 0.08 -0.07 -0.28 0.00 -1.64 0.00 0.00 178.16 176.25 1pd7 h ARG 29 N 0.26 0.19 -0.06 1.82 3.08 -1.63 -3.36 114.38 114.69 1pd7 h ARG 29 Ca 0.38 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1pd7 h ARG 29 Cb 0.61 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1pd7 h ARG 29 CO -0.47 0.94 -0.41 0.77 -1.07 0.00 0.00 179.97 179.73 1pd7 h SER 30 N -0.48 0.13 -0.16 7.04 0.02 -0.55 -2.21 113.55 117.34 1pd7 h SER 30 Ca -0.04 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1pd7 h SER 30 Cb 1.04 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1pd7 h SER 30 CO 0.06 0.53 -0.12 2.19 -1.14 0.00 0.00 176.83 178.34 1pd7 h PHE 31 N 0.10 0.57 -0.39 3.45 -0.00 -1.29 -3.15 116.94 116.23 1pd7 h PHE 31 Ca 0.01 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.97 57.78 1pd7 h PHE 31 Cb 0.78 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.57 1pd7 h PHE 31 CO 0.01 0.64 -0.18 -0.07 -0.00 0.00 0.00 178.31 178.70 1pd7 h LEU 32 N 0.49 0.84 -1.34 2.10 3.38 -1.54 -3.06 115.31 116.18 1pd7 h LEU 32 Ca 0.09 -0.40 0.23 0.00 0.09 0.00 0.00 57.88 57.89 1pd7 h LEU 32 Cb 0.50 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1pd7 h LEU 32 CO 0.03 1.05 0.64 -0.33 0.09 0.00 0.00 178.44 179.92 1pd7 h GLU 33 N 0.62 0.45 -0.16 1.13 4.39 -1.46 0.36 114.58 119.92 1pd7 h GLU 33 Ca 0.09 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1pd7 h GLU 33 Cb 0.73 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1pd7 h GLU 33 CO 0.06 0.30 0.02 0.82 -1.16 0.00 0.00 179.01 179.04 1pd7 h ILE 34 N 0.47 1.23 -0.20 3.13 2.04 -1.54 -1.32 117.51 121.32 1pd7 h ILE 34 Ca 0.56 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1pd7 h ILE 34 Cb 1.30 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1pd7 h ILE 34 CO -0.28 0.22 -0.26 -0.07 0.00 0.00 0.00 178.15 177.77 1pd7 h LEU 35 N 0.03 0.37 -1.80 1.44 3.38 -1.17 -2.08 115.31 115.49 1pd7 h LEU 35 Ca 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1pd7 h LEU 35 Cb 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pd7 h LEU 35 CO 0.00 0.63 -0.15 0.45 0.09 0.00 0.00 178.44 179.47 1pd7 h HIS 36 N 0.33 0.00 -0.29 1.13 3.86 -0.27 -1.17 115.15 118.75 1pd7 h HIS 36 Ca 0.05 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1pd7 h HIS 36 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1pd7 h HIS 36 CO 0.02 0.15 0.20 0.00 0.86 0.00 0.00 177.93 179.15 1pd7 h THR 37 N 0.00 0.97 0.17 2.45 1.03 -0.50 0.17 112.91 117.21 1pd7 h THR 37 Ca -0.00 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1pd7 h THR 37 Cb 0.36 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 1pd7 h THR 37 CO 0.02 0.04 -0.08 0.22 -0.01 0.00 0.00 175.52 175.71 1pd7 h TYR 38 N 0.22 -0.21 0.00 0.00 3.20 -1.45 -3.39 116.97 115.34 1pd7 h TYR 38 Ca 0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 38 Cb 0.22 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1pd7 h TYR 38 CO -0.00 -0.13 0.00 -0.56 -1.64 0.00 0.00 178.16 175.83 1pd7 h GLN 39 N -0.92 0.00 0.26 1.82 -0.00 -0.69 -3.25 115.11 112.33 1pd7 h GLN 39 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1pd7 h GLN 39 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1pd7 h GLN 39 CO 0.04 0.00 -0.13 0.87 -0.00 0.00 0.00 178.83 179.61 1pd7 h LYS 40 N 0.00 -0.34 -0.91 0.06 1.79 -0.93 -3.36 116.57 112.89 1pd7 h LYS 40 Ca 0.00 0.02 0.24 0.00 -2.18 0.00 0.00 60.65 58.73 1pd7 h LYS 40 Cb 0.91 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 31.50 1pd7 h LYS 40 CO 0.00 -0.02 0.37 0.93 -1.08 0.00 0.00 179.45 179.66 1pd7 h GLU 41 N -0.96 0.33 -0.19 3.15 4.39 -1.71 -1.05 114.58 118.53 1pd7 h GLU 41 Ca -0.04 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.70 1pd7 h GLU 41 Cb 0.48 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1pd7 h GLU 41 CO 0.06 0.22 0.31 0.37 -1.16 0.00 0.00 179.01 178.81 1pd7 h GLN 42 N 0.34 0.00 0.00 2.33 4.15 -1.70 -0.88 115.11 119.35 1pd7 h GLN 42 Ca 0.58 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.96 1pd7 h GLN 42 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1pd7 h GLN 42 CO -0.58 0.00 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.07 1pd7 h LEU 43 N 0.00 0.00 -3.17 -2.39 3.38 -1.37 -3.06 115.31 108.71 1pd7 h LEU 43 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 43 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1pd7 h LEU 43 CO -0.00 0.19 -0.16 1.41 0.09 0.00 0.00 178.44 179.96 1pd7 n HIS 44 N -3.99 0.54 -3.16 1.13 8.25 -0.34 -5.03 115.22 112.62 1pd7 n HIS 44 Ca -0.02 -1.33 -0.22 0.00 -0.26 0.00 0.00 57.72 55.89 1pd7 n HIS 44 Cb 0.27 -0.32 0.01 0.00 1.12 0.00 0.00 29.99 31.06 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1pd7 s THR 45 N -3.10 4.07 0.09 1.59 -4.23 -1.16 -5.12 115.64 107.79 1pd7 s THR 45 Ca 0.40 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1pd7 s THR 45 Cb 0.36 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1pd7 s THR 45 CO 0.00 -0.28 0.10 -1.59 -0.54 0.00 0.00 174.62 172.31 1pd7 s LYS 46 N -4.42 2.94 0.00 3.99 -2.85 -1.26 -4.81 119.74 113.33 1pd7 s LYS 46 Ca 0.47 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 1pd7 s LYS 46 Cb -0.10 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1pd7 s LYS 46 CO 0.36 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.77 1pd7 n GLY 47 N 0.32 1.73 1.97 0.59 0.00 -1.26 -4.85 105.19 103.69 1pd7 n GLY 47 Ca -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1pd7 n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pd7 n ARG 48 N 0.00 -0.33 -0.01 1.61 0.00 -1.26 -4.85 116.66 111.82 1pd7 n ARG 48 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 1pd7 n ARG 48 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 32.46 32.08 1pd7 n ARG 48 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1pd7 n PRO 49 N -0.37 1.03 -1.88 2.89 -0.02 -1.26 -4.92 135.00 130.47 1pd7 n PRO 49 Ca -0.03 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1pd7 n PRO 49 Cb 0.13 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1pd7 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pd7 n PHE 50 N -0.28 -4.41 0.00 6.00 7.35 -1.26 -5.10 117.46 119.76 1pd7 n PHE 50 Ca 0.00 2.65 0.00 0.00 -0.76 0.00 0.00 57.45 59.34 1pd7 n PHE 50 Cb 0.11 -3.50 0.00 0.00 0.35 0.00 0.00 39.48 36.43 1pd7 n PHE 50 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1pd7 n ARG 51 N 1.67 0.00 -0.33 -4.13 1.85 -1.26 -5.07 116.66 109.38 1pd7 n ARG 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pd7 n ARG 51 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pd7 n GLY 52 N -1.10 0.86 7.00 2.89 0.00 -1.26 -4.95 105.19 108.63 1pd7 n GLY 52 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.30 0.00 -3.28 1.61 0.00 -1.26 -3.78 117.12 110.11 1pd7 n MET 53 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 1pd7 n MET 53 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.26 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1pd7 s SER 54 N -4.00 6.64 0.49 3.17 1.04 -1.26 -4.95 113.70 114.82 1pd7 s SER 54 Ca 0.00 0.76 0.24 0.00 0.48 0.00 0.00 55.95 57.43 1pd7 s SER 54 Cb 0.00 -2.29 1.25 0.00 0.10 0.00 0.00 66.02 65.08 1pd7 s SER 54 CO 0.00 -0.08 2.00 -0.33 0.98 0.00 0.00 173.24 175.81 1pd7 h GLU 55 N 7.05 0.00 -0.95 4.02 5.08 -1.93 -1.88 114.58 125.97 1pd7 h GLU 55 Ca -0.38 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1pd7 h GLU 55 Cb 1.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1pd7 h GLU 55 CO 0.75 0.17 0.53 0.93 -1.00 0.00 0.00 179.01 180.39 1pd7 h GLU 56 N 0.00 0.63 0.19 2.33 5.08 -1.92 -2.11 114.58 118.78 1pd7 h GLU 56 Ca -0.00 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1pd7 h GLU 56 Cb 0.42 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1pd7 h GLU 56 CO 0.02 0.42 -1.67 1.05 -1.00 0.00 0.00 179.01 177.83 1pd7 h GLU 57 N 0.65 0.41 -0.12 2.33 4.11 -1.74 -0.09 114.58 120.13 1pd7 h GLU 57 Ca 0.56 -0.69 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 1pd7 h GLU 57 Cb 0.91 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1pd7 h GLU 57 CO -0.41 1.32 -0.32 -0.24 0.07 0.00 0.00 179.01 179.43 1pd7 h VAL 58 N 0.11 1.27 0.93 -1.06 3.04 -1.54 -1.15 116.25 117.86 1pd7 h VAL 58 Ca -0.31 -1.27 -0.05 0.00 -1.01 0.00 0.00 66.70 64.06 1pd7 h VAL 58 Cb 2.10 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 32.92 1pd7 h VAL 58 CO 0.20 0.38 -0.45 0.15 -1.01 0.00 0.00 177.57 176.84 1pd7 h PHE 59 N 0.20 -1.16 -0.79 3.17 3.57 -1.45 -3.24 116.94 117.23 1pd7 h PHE 59 Ca 0.03 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1pd7 h PHE 59 Cb 0.66 0.38 -0.14 0.00 2.79 0.00 0.00 35.95 39.64 1pd7 h PHE 59 CO 0.01 -0.72 -0.05 0.00 -2.23 0.00 0.00 178.31 175.32 1pd7 h THR 60 N -1.33 0.27 0.00 4.41 1.03 0.14 -0.25 112.91 117.19 1pd7 h THR 60 Ca -0.13 -0.02 -0.18 0.00 -0.01 0.00 0.00 66.41 66.07 1pd7 h THR 60 Cb 0.96 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.21 1pd7 h THR 60 CO 0.21 0.01 -0.86 -0.33 -0.01 0.00 0.00 175.52 174.54 1pd7 h GLU 61 N 0.06 0.02 -0.01 0.00 5.08 -1.43 -3.02 114.58 115.29 1pd7 h GLU 61 Ca 0.43 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1pd7 h GLU 61 Cb 0.75 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1pd7 h GLU 61 CO -0.74 0.87 -0.70 0.28 -1.00 0.00 0.00 179.01 177.73 1pd7 h VAL 62 N 0.01 1.48 -0.61 3.13 2.07 -1.32 -3.10 116.25 117.93 1pd7 h VAL 62 Ca -0.01 -2.35 -0.08 0.00 0.82 0.00 0.00 66.70 65.08 1pd7 h VAL 62 Cb 1.52 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1pd7 h VAL 62 CO 0.11 0.67 0.06 0.00 0.02 0.00 0.00 177.57 178.44 1pd7 h ALA 63 N 1.27 0.97 -0.39 1.67 0.00 -1.04 -2.66 119.26 119.09 1pd7 h ALA 63 Ca -0.01 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1pd7 h ALA 63 Cb 1.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1pd7 h ALA 63 CO 0.09 0.64 -0.35 -2.95 0.00 0.00 0.00 179.25 176.68 1pd7 h ASN 64 N 0.94 0.95 1.97 0.00 7.08 -1.45 -0.50 115.58 124.57 1pd7 h ASN 64 Ca 0.18 -0.41 0.00 0.00 -3.08 0.00 0.00 56.30 52.99 1pd7 h ASN 64 Cb 0.46 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.43 1pd7 h ASN 64 CO 0.02 1.20 0.00 0.17 -2.08 0.00 0.00 177.43 176.73 1pd7 h LEU 65 N 0.74 0.00 0.00 6.14 -0.00 -1.54 -3.18 115.31 117.47 1pd7 h LEU 65 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.65 1pd7 h LEU 65 Cb 0.93 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 1pd7 h LEU 65 CO 0.09 0.00 -1.92 0.49 -0.00 0.00 0.00 178.44 177.10 1pd7 n PHE 66 N -3.05 0.62 -1.59 0.17 3.01 -1.01 -5.01 117.46 110.61 1pd7 n PHE 66 Ca 0.04 0.22 -0.62 0.00 1.01 0.00 0.00 57.45 58.10 1pd7 n PHE 66 Cb 0.52 -1.09 -0.09 0.00 -0.01 0.00 0.00 39.48 38.82 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 -2.90 0.00 0.00 -1.08 0.00 -0.20 -1.59 116.66 110.89 1pd7 n ARG 67 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 1pd7 n ARG 67 Cb 1.05 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pd7 n GLY 68 N 2.90 3.27 3.34 5.14 0.00 -1.26 -4.99 105.19 113.58 1pd7 n GLY 68 Ca 0.26 -1.04 -0.46 0.00 0.00 0.00 0.00 46.02 44.77 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 3.76 0.29 1.61 -0.21 -0.62 -4.89 119.66 119.60 1pd7 s GLN 69 Ca 0.00 -2.63 0.14 0.00 0.02 0.00 0.00 55.36 52.89 1pd7 s GLN 69 Cb 0.00 -4.48 0.35 0.00 1.00 0.00 0.00 33.01 29.88 1pd7 s GLN 69 CO 0.00 -1.30 1.58 0.93 -2.12 0.00 0.00 175.29 174.39 1pd7 h GLU 70 N 7.53 0.00 -0.92 2.91 4.39 -1.94 -3.22 114.58 123.32 1pd7 h GLU 70 Ca 0.13 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.97 1pd7 h GLU 70 Cb 1.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.56 1pd7 h GLU 70 CO 0.83 0.56 0.54 0.22 -1.16 0.00 0.00 179.01 179.99 1pd7 h ASP 71 N 0.00 0.72 -0.51 1.42 3.58 -1.98 -2.73 116.42 116.92 1pd7 h ASP 71 Ca -0.01 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 1pd7 h ASP 71 Cb 1.17 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 1pd7 h ASP 71 CO 0.07 0.34 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.56 1pd7 h LEU 72 N 0.79 1.01 -0.78 2.28 3.38 -1.97 -3.16 115.31 116.87 1pd7 h LEU 72 Ca 0.49 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1pd7 h LEU 72 Cb 0.61 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pd7 h LEU 72 CO -0.32 1.15 -0.07 -0.07 0.09 0.00 0.00 178.44 179.22 1pd7 h LEU 73 N 0.87 0.00 -0.09 1.67 -0.00 -1.68 -1.39 115.31 114.70 1pd7 h LEU 73 Ca 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1pd7 h LEU 73 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.35 1pd7 h LEU 73 CO 0.05 0.07 -0.06 -1.28 -0.00 0.00 0.00 178.44 177.23 1pd7 h SER 74 N 0.00 -0.18 1.39 -0.43 0.87 -1.51 -2.56 113.55 111.13 1pd7 h SER 74 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pd7 h SER 74 Cb 0.79 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1pd7 h SER 74 CO 0.01 -0.08 0.00 -0.33 -0.53 0.00 0.00 176.83 175.90 1pd7 h GLU 75 N -0.06 0.00 0.00 2.24 5.08 -1.47 -3.21 114.58 117.16 1pd7 h GLU 75 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pd7 h GLU 75 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1pd7 h GLU 75 CO -0.12 0.00 -0.02 0.35 -1.00 0.00 0.00 179.01 178.22 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.83 -2.61 116.94 121.40 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 0.69 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1pd7 h PHE 76 CO 0.00 0.02 0.00 0.78 -2.23 0.00 0.00 178.31 176.88 1pd7 h GLY 77 N 0.42 0.00 2.00 2.40 0.00 -1.60 -2.62 103.07 103.68 1pd7 h GLY 77 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pd7 h GLY 77 CO 0.00 0.00 -0.12 0.06 0.00 0.00 0.00 176.54 176.48 1pd7 h GLN 78 N 0.00 0.00 0.00 4.80 3.07 -1.72 -2.57 115.11 118.69 1pd7 h GLN 78 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1pd7 h GLN 78 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1pd7 h GLN 78 CO 0.00 0.12 -0.81 0.74 0.09 0.00 0.00 178.83 178.97 1pd7 h PHE 79 N 0.00 0.00 -3.48 0.06 0.04 -1.68 -3.44 116.94 108.43 1pd7 h PHE 79 Ca -0.00 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.06 1pd7 h PHE 79 Cb 0.42 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.27 1pd7 h PHE 79 CO 0.00 0.04 -0.50 -0.51 -0.60 0.00 0.00 178.31 176.73 1pd7 s LEU 80 N -5.57 5.06 -0.23 1.54 1.43 -0.97 -5.07 118.68 114.87 1pd7 s LEU 80 Ca 0.01 -1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 51.22 1pd7 s LEU 80 Cb 0.09 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1pd7 s LEU 80 CO 0.77 -0.52 1.25 -2.16 0.23 0.00 0.00 176.35 175.92 1pd7 s PRO 81 N 1.35 4.10 -0.20 1.29 0.04 -1.26 -4.88 135.00 135.43 1pd7 s PRO 81 Ca 0.03 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1pd7 s PRO 81 Cb -0.23 -3.80 -0.11 0.00 0.04 0.00 0.00 34.50 30.41 1pd7 s PRO 81 CO 0.00 -0.87 -0.11 0.39 0.04 0.00 0.00 177.00 176.45 1pd7 n GLU 82 N 6.88 0.53 0.03 4.56 1.02 -1.26 -4.97 120.64 127.42 1pd7 n GLU 82 Ca 0.14 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1pd7 n GLU 82 Cb 0.46 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.83 1.50 -1.36 0.62 0.00 -1.26 -5.05 120.51 111.12 1pd7 n ALA 83 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1pd7 n ALA 83 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.63 -0.12 -0.99 0.00 5.02 -1.26 -5.30 118.16 112.88 1pd7 n LYS 84 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1pd7 n LYS 84 Cb 0.00 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.03 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42