#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 6.52 0.04 1.62 0.01 -1.26 -4.89 113.70 115.74 1pd7 s SER 2 Ca 0.00 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.56 1pd7 s SER 2 Cb 0.00 -2.40 -0.24 0.00 0.21 0.00 0.00 66.02 63.59 1pd7 s SER 2 CO 0.00 -0.79 0.99 -2.24 0.41 0.00 0.00 173.24 171.61 1pd7 h ASP 3 N 8.61 0.13 -0.20 2.44 2.03 -2.09 -3.40 116.42 123.95 1pd7 h ASP 3 Ca -0.25 -0.18 -0.13 0.00 -0.73 0.00 0.00 57.03 55.74 1pd7 h ASP 3 Cb 1.09 -0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 1pd7 h ASP 3 CO 0.93 1.15 0.17 -1.20 -1.03 0.00 0.00 179.24 179.25 1pd7 n SER 4 N -3.31 5.81 0.29 4.15 7.64 -1.26 -4.53 113.62 122.41 1pd7 n SER 4 Ca -0.10 -2.68 -0.16 0.00 1.01 0.00 0.00 58.87 56.95 1pd7 n SER 4 Cb 1.00 -1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.01 0.41 0.00 0.44 2.07 -2.00 -2.31 116.25 115.87 1pd7 h VAL 5 Ca 0.12 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1pd7 h VAL 5 Cb 0.97 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1pd7 h VAL 5 CO 0.31 0.04 0.00 -0.33 0.02 0.00 0.00 177.57 177.61 1pd7 h GLU 6 N -0.90 0.00 -0.21 1.57 5.08 -1.98 -0.03 114.58 118.12 1pd7 h GLU 6 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1pd7 h GLU 6 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1pd7 h GLU 6 CO 0.12 0.00 0.09 0.74 -1.00 0.00 0.00 179.01 178.96 1pd7 h PHE 7 N 0.00 0.16 -0.01 4.33 0.04 -1.88 -2.40 116.94 117.18 1pd7 h PHE 7 Ca 0.00 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 1pd7 h PHE 7 Cb 0.73 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1pd7 h PHE 7 CO 0.00 0.09 -0.68 -0.97 -0.60 0.00 0.00 178.31 176.14 1pd7 h ASN 8 N 0.19 0.05 -0.13 2.17 -0.73 -0.55 0.23 115.58 116.81 1pd7 h ASN 8 Ca 0.09 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.18 1pd7 h ASN 8 Cb 0.04 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1pd7 h ASN 8 CO -0.07 0.72 -0.03 0.78 -0.37 0.00 0.00 177.43 178.45 1pd7 h ASN 9 N 0.03 0.36 0.19 1.15 2.35 -1.08 -0.06 115.58 118.52 1pd7 h ASN 9 Ca -0.01 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1pd7 h ASN 9 Cb 1.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1pd7 h ASN 9 CO 0.09 0.44 -0.09 0.00 -1.65 0.00 0.00 177.43 176.22 1pd7 h ALA 10 N 1.60 -0.26 -0.53 -0.83 0.00 -0.74 -3.23 119.26 115.26 1pd7 h ALA 10 Ca 0.08 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pd7 h ALA 10 Cb 0.30 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1pd7 h ALA 10 CO 0.01 -0.41 -0.08 0.82 0.00 0.00 0.00 179.25 179.59 1pd7 h ILE 11 N -0.73 0.51 -0.16 0.00 1.08 -0.72 -1.24 117.51 116.26 1pd7 h ILE 11 Ca -0.03 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1pd7 h ILE 11 Cb 0.50 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1pd7 h ILE 11 CO 0.04 0.01 0.11 0.28 -0.69 0.00 0.00 178.15 177.90 1pd7 h SER 12 N 0.04 0.12 0.03 1.72 0.02 -1.14 0.32 113.55 114.65 1pd7 h SER 12 Ca 0.26 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1pd7 h SER 12 Cb 0.41 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1pd7 h SER 12 CO -0.51 0.08 -0.01 0.22 -1.14 0.00 0.00 176.83 175.47 1pd7 h TYR 13 N 0.14 -0.03 -0.42 3.45 3.20 -1.26 -2.53 116.97 119.52 1pd7 h TYR 13 Ca 0.06 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1pd7 h TYR 13 Cb 0.09 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1pd7 h TYR 13 CO -0.00 0.59 0.19 0.28 -1.64 0.00 0.00 178.16 177.58 1pd7 h VAL 14 N -0.70 0.94 -0.97 1.81 2.07 -0.96 -0.90 116.25 117.54 1pd7 h VAL 14 Ca -0.00 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1pd7 h VAL 14 Cb 0.64 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1pd7 h VAL 14 CO 0.01 0.07 0.61 -1.13 0.02 0.00 0.00 177.57 177.15 1pd7 h ASN 15 N 0.39 0.97 -0.53 0.57 -1.24 -1.05 0.79 115.58 115.48 1pd7 h ASN 15 Ca 0.19 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1pd7 h ASN 15 Cb 0.12 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1pd7 h ASN 15 CO -0.15 0.60 0.24 0.50 -1.29 0.00 0.00 177.43 177.33 1pd7 h LYS 16 N 1.09 0.77 -0.05 6.67 3.64 -0.91 -0.80 116.57 126.98 1pd7 h LYS 16 Ca 0.43 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1pd7 h LYS 16 Cb 0.22 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1pd7 h LYS 16 CO -0.19 0.65 -0.01 0.82 -2.27 0.00 0.00 179.45 178.45 1pd7 h ILE 17 N 0.71 0.95 -0.65 2.00 2.04 -0.91 -2.39 117.51 119.25 1pd7 h ILE 17 Ca 0.18 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1pd7 h ILE 17 Cb 0.14 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1pd7 h ILE 17 CO -0.02 0.00 0.32 0.11 0.00 0.00 0.00 178.15 178.56 1pd7 h LYS 18 N 0.00 0.55 -0.73 2.37 1.57 -0.71 -0.77 116.57 118.86 1pd7 h LYS 18 Ca 0.02 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1pd7 h LYS 18 Cb 0.04 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1pd7 h LYS 18 CO -0.05 0.36 0.43 1.15 -0.57 0.00 0.00 179.45 180.78 1pd7 h THR 19 N 0.56 1.03 -0.07 -0.16 2.02 -0.92 -2.60 112.91 112.76 1pd7 h THR 19 Ca 0.31 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1pd7 h THR 19 Cb 0.29 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1pd7 h THR 19 CO -0.24 0.15 -0.02 0.03 0.37 0.00 0.00 175.52 175.81 1pd7 h ARG 20 N 0.81 0.14 -1.71 6.66 2.47 -1.03 -3.31 114.38 118.42 1pd7 h ARG 20 Ca 0.31 -0.06 -0.38 0.00 -1.26 0.00 0.00 59.98 58.60 1pd7 h ARG 20 Cb 0.13 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.29 1pd7 h ARG 20 CO -0.16 0.49 0.37 1.19 0.56 0.00 0.00 179.97 182.42 1pd7 n PHE 21 N -4.79 1.48 0.08 3.04 3.72 -0.33 -3.95 117.46 116.71 1pd7 n PHE 21 Ca -0.07 -1.93 -0.10 0.00 -0.05 0.00 0.00 57.45 55.29 1pd7 n PHE 21 Cb 0.24 -1.13 -0.08 0.00 -0.94 0.00 0.00 39.48 37.56 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 3.12 0.23 -0.21 4.37 3.38 -1.56 -3.13 115.31 121.51 1pd7 h LEU 22 Ca 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pd7 h LEU 22 Cb 0.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pd7 h LEU 22 CO 0.77 1.12 0.00 -0.78 0.09 0.00 0.00 178.44 179.64 1pd7 h ASP 23 N 0.06 0.00 -2.09 -0.43 1.82 -1.88 -3.39 116.42 110.52 1pd7 h ASP 23 Ca -0.06 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.01 1pd7 h ASP 23 Cb 1.74 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 41.36 1pd7 h ASP 23 CO 0.15 0.00 -1.04 1.41 -1.61 0.00 0.00 179.24 178.15 1pd7 n HIS 24 N -2.53 -0.10 0.59 0.28 8.25 -1.18 -4.96 115.22 115.57 1pd7 n HIS 24 Ca 0.04 -3.58 0.11 0.00 -0.26 0.00 0.00 57.72 54.04 1pd7 n HIS 24 Cb 0.42 -0.27 0.45 0.00 1.12 0.00 0.00 29.99 31.71 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 1.61 0.12 0.24 -0.41 -0.04 -1.21 -1.78 135.00 133.53 1pd7 n PRO 25 Ca 0.23 0.25 0.16 0.00 -0.04 0.00 0.00 63.50 64.10 1pd7 n PRO 25 Cb 0.51 -1.69 0.62 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.15 0.54 4.11 -1.92 -2.36 114.58 115.10 1pd7 h GLU 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1pd7 h GLU 26 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1pd7 h GLU 26 CO 0.00 0.00 -0.07 0.82 0.07 0.00 0.00 179.01 179.83 1pd7 h ILE 27 N 0.00 0.99 0.00 -1.06 1.08 -1.70 -2.92 117.51 113.90 1pd7 h ILE 27 Ca 0.00 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1pd7 h ILE 27 Cb 0.50 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1pd7 h ILE 27 CO 0.00 0.19 -0.07 0.22 -0.69 0.00 0.00 178.15 177.81 1pd7 h TYR 28 N -0.64 0.00 0.83 1.37 3.20 -1.56 0.44 116.97 120.61 1pd7 h TYR 28 Ca -0.02 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1pd7 h TYR 28 Cb 0.48 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.76 1pd7 h TYR 28 CO 0.06 0.07 -0.40 0.00 -1.64 0.00 0.00 178.16 176.25 1pd7 h ARG 29 N 0.00 -1.07 0.00 1.82 -0.00 -1.52 -3.36 114.38 110.25 1pd7 h ARG 29 Ca -0.00 0.07 -0.11 0.00 -0.50 0.00 0.00 59.98 59.45 1pd7 h ARG 29 Cb 0.16 0.24 -0.02 0.00 0.00 0.00 0.00 29.97 30.36 1pd7 h ARG 29 CO 0.01 -0.71 -0.54 0.77 0.00 0.00 0.00 179.97 179.50 1pd7 h SER 30 N -1.29 0.00 -0.43 7.04 0.02 -1.02 -3.22 113.55 114.66 1pd7 h SER 30 Ca -0.11 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1pd7 h SER 30 Cb 0.85 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 1pd7 h SER 30 CO 0.19 0.50 -0.44 0.15 -1.14 0.00 0.00 176.83 176.08 1pd7 h PHE 31 N 0.00 -1.29 -0.12 3.45 3.57 -0.35 -2.27 116.94 119.94 1pd7 h PHE 31 Ca -0.01 0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 1pd7 h PHE 31 Cb 1.39 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 1pd7 h PHE 31 CO 0.00 -0.44 -0.65 -0.07 -2.23 0.00 0.00 178.31 174.91 1pd7 h LEU 32 N -0.32 0.53 -0.95 0.59 3.38 -1.71 -2.97 115.31 113.86 1pd7 h LEU 32 Ca 0.14 -0.32 0.20 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 32 Cb 0.58 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 1pd7 h LEU 32 CO -0.59 1.04 0.53 -0.08 0.09 0.00 0.00 178.44 179.43 1pd7 h GLU 33 N 0.33 0.60 -0.22 1.13 4.81 -1.50 0.44 114.58 120.18 1pd7 h GLU 33 Ca -0.02 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1pd7 h GLU 33 Cb 1.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1pd7 h GLU 33 CO 0.12 0.40 0.12 0.82 -0.73 0.00 0.00 179.01 179.73 1pd7 h ILE 34 N 0.62 1.01 -0.65 2.32 2.04 -1.26 -1.08 117.51 120.51 1pd7 h ILE 34 Ca 0.57 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 66.28 1pd7 h ILE 34 Cb 0.97 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1pd7 h ILE 34 CO -0.43 0.05 0.13 -0.07 0.00 0.00 0.00 178.15 177.82 1pd7 h LEU 35 N 0.25 1.00 -0.96 1.44 3.38 -1.19 -2.71 115.31 116.53 1pd7 h LEU 35 Ca 0.09 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.94 1pd7 h LEU 35 Cb 0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 1pd7 h LEU 35 CO -0.05 0.98 0.59 0.45 0.09 0.00 0.00 178.44 180.51 1pd7 h HIS 36 N 0.99 1.08 -0.96 1.13 3.86 -0.03 0.96 115.15 122.19 1pd7 h HIS 36 Ca 0.20 0.03 0.23 0.00 -1.16 0.00 0.00 60.37 59.67 1pd7 h HIS 36 Cb 0.39 -0.34 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 1pd7 h HIS 36 CO 0.03 0.46 0.63 1.15 0.86 0.00 0.00 177.93 181.06 1pd7 h THR 37 N 0.98 0.62 0.00 2.45 2.02 -0.85 0.16 112.91 118.29 1pd7 h THR 37 Ca 0.46 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 1pd7 h THR 37 Cb 0.38 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1pd7 h THR 37 CO -0.24 0.07 -0.22 0.22 0.37 0.00 0.00 175.52 175.72 1pd7 h TYR 38 N 0.41 0.00 -0.03 3.16 5.03 -1.42 -3.40 116.97 120.71 1pd7 h TYR 38 Ca 0.52 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.77 1pd7 h TYR 38 Cb 1.30 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 1pd7 h TYR 38 CO -0.00 0.70 -0.26 0.37 -1.32 0.00 0.00 178.16 177.65 1pd7 h GLN 39 N -1.00 0.05 0.56 1.82 -0.00 -0.04 -2.34 115.11 114.16 1pd7 h GLN 39 Ca -0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 1pd7 h GLN 39 Cb 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.20 1pd7 h GLN 39 CO -0.03 0.31 -0.27 0.87 0.00 0.00 0.00 178.83 179.71 1pd7 h LYS 40 N 0.04 -0.73 -0.62 1.69 1.79 -0.98 -2.81 116.57 114.95 1pd7 h LYS 40 Ca 0.01 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1pd7 h LYS 40 Cb 0.49 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 1pd7 h LYS 40 CO 0.03 -0.48 0.41 0.93 -1.08 0.00 0.00 179.45 179.27 1pd7 h GLU 41 N -0.77 0.71 0.00 3.15 5.08 -1.70 -1.97 114.58 119.07 1pd7 h GLU 41 Ca -0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1pd7 h GLU 41 Cb 0.59 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1pd7 h GLU 41 CO 0.13 0.47 -0.18 0.37 -1.00 0.00 0.00 179.01 178.79 1pd7 h GLN 42 N 0.73 0.00 -6.93 2.33 5.75 -1.38 -3.44 115.11 112.17 1pd7 h GLN 42 Ca 0.25 0.00 -0.46 0.00 -0.15 0.00 0.00 58.65 58.29 1pd7 h GLN 42 Cb 0.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1pd7 h GLN 42 CO -0.07 0.18 0.26 -0.51 -2.65 0.00 0.00 178.83 176.04 1pd7 s LEU 43 N -7.73 4.01 -0.36 -2.39 1.43 -0.74 -4.43 118.68 108.48 1pd7 s LEU 43 Ca -0.03 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1pd7 s LEU 43 Cb 0.14 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 42.01 1pd7 s LEU 43 CO 0.64 -0.29 0.31 1.41 0.23 0.00 0.00 176.35 178.65 1pd7 n HIS 44 N -0.46 -0.74 -1.89 0.29 8.25 -1.26 -5.00 115.22 114.41 1pd7 n HIS 44 Ca 0.05 0.27 -0.30 0.00 -0.26 0.00 0.00 57.72 57.48 1pd7 n HIS 44 Cb 0.53 -2.24 0.04 0.00 1.12 0.00 0.00 29.99 29.44 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 -3.09 3.74 -1.83 1.59 -4.23 -1.26 -4.96 115.64 105.60 1pd7 s THR 45 Ca 0.13 0.55 0.27 0.00 -1.18 0.00 0.00 61.69 61.46 1pd7 s THR 45 Cb -0.06 -3.56 0.68 0.00 1.34 0.00 0.00 72.50 70.90 1pd7 s THR 45 CO 0.20 -0.73 1.94 0.29 -0.54 0.00 0.00 174.62 175.77 1pd7 n LYS 46 N -2.95 0.71 0.00 3.99 4.76 -1.26 -4.85 118.16 118.56 1pd7 n LYS 46 Ca 0.07 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1pd7 n LYS 46 Cb 0.57 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pd7 n GLY 47 N 0.75 -0.19 3.79 0.72 0.00 -1.26 -5.15 105.19 103.86 1pd7 n GLY 47 Ca 0.18 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 2.99 -0.33 1.61 1.70 -1.26 -4.98 118.95 118.67 1pd7 s ARG 48 Ca 0.00 1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 56.21 1pd7 s ARG 48 Cb 0.00 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 1pd7 s ARG 48 CO 0.00 -1.08 1.40 -1.25 -1.08 0.00 0.00 175.30 173.29 1pd7 s PRO 49 N -4.27 3.75 0.10 3.89 0.04 -1.26 -4.87 135.00 132.39 1pd7 s PRO 49 Ca 0.64 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 1pd7 s PRO 49 Cb -0.18 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.44 1pd7 s PRO 49 CO 0.42 -1.34 0.40 0.12 0.04 0.00 0.00 177.00 176.65 1pd7 s PHE 50 N 4.96 -0.22 0.00 0.56 2.19 -1.26 -5.15 117.98 119.06 1pd7 s PHE 50 Ca 0.61 -0.03 0.00 0.00 0.33 0.00 0.00 56.93 57.84 1pd7 s PHE 50 Cb -0.17 0.25 0.00 0.00 -1.31 0.00 0.00 43.02 41.79 1pd7 s PHE 50 CO 0.28 -0.67 0.00 0.54 1.83 0.00 0.00 175.22 177.20 1pd7 n ARG 51 N -0.04 0.00 0.00 10.12 1.74 -1.26 -4.55 116.66 122.67 1pd7 n ARG 51 Ca -0.17 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1pd7 n ARG 51 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 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 0.60 4.40 0.00 -0.13 0.00 -1.26 -3.50 105.19 105.30 1pd7 n GLY 52 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.07 0.92 -2.05 1.61 0.00 -1.26 -4.95 117.12 110.30 1pd7 n MET 53 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1pd7 n MET 53 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 6.71 0.64 3.17 0.01 -1.26 -4.86 113.70 117.11 1pd7 s SER 54 Ca 0.00 2.49 0.42 0.00 1.31 0.00 0.00 55.95 60.17 1pd7 s SER 54 Cb 0.00 -2.59 2.24 0.00 0.21 0.00 0.00 66.02 65.88 1pd7 s SER 54 CO 0.00 -0.73 2.30 1.05 0.41 0.00 0.00 173.24 176.27 1pd7 h GLU 55 N 6.59 0.00 -0.76 12.44 9.09 -2.00 0.11 114.58 140.06 1pd7 h GLU 55 Ca -0.43 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.96 1pd7 h GLU 55 Cb 1.21 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.27 1pd7 h GLU 55 CO 0.88 0.00 0.37 0.93 0.05 0.00 0.00 179.01 181.23 1pd7 h GLU 56 N 0.00 1.07 0.06 1.06 4.39 -1.99 -3.07 114.58 116.11 1pd7 h GLU 56 Ca 0.00 -0.15 -0.27 0.00 0.34 0.00 0.00 59.36 59.28 1pd7 h GLU 56 Cb 0.08 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1pd7 h GLU 56 CO 0.00 0.82 -1.40 1.05 -1.16 0.00 0.00 179.01 178.32 1pd7 h GLU 57 N 1.07 0.14 -0.47 2.33 4.11 -1.15 0.41 114.58 121.01 1pd7 h GLU 57 Ca 0.26 -0.23 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1pd7 h GLU 57 Cb 0.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1pd7 h GLU 57 CO -0.03 0.98 0.13 -0.24 0.07 0.00 0.00 179.01 179.91 1pd7 h VAL 58 N 0.04 1.20 0.34 -1.06 3.04 -1.58 0.24 116.25 118.46 1pd7 h VAL 58 Ca -0.18 -0.68 -0.02 0.00 -1.01 0.00 0.00 66.70 64.81 1pd7 h VAL 58 Cb 1.94 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1pd7 h VAL 58 CO 0.14 0.25 -0.16 0.15 -1.01 0.00 0.00 177.57 176.94 1pd7 h PHE 59 N 0.68 -0.42 -0.51 3.17 3.04 -1.55 -3.25 116.94 118.11 1pd7 h PHE 59 Ca 0.16 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.18 1pd7 h PHE 59 Cb 0.23 0.14 -0.07 0.00 2.56 0.00 0.00 35.95 38.81 1pd7 h PHE 59 CO 0.01 -0.11 0.14 0.00 -2.02 0.00 0.00 178.31 176.33 1pd7 h THR 60 N -0.73 0.76 -0.21 4.41 1.03 0.04 -2.33 112.91 115.88 1pd7 h THR 60 Ca -0.05 -0.10 -0.10 0.00 -0.01 0.00 0.00 66.41 66.15 1pd7 h THR 60 Cb 0.50 0.44 -0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1pd7 h THR 60 CO 0.08 0.05 -0.25 -0.33 -0.01 0.00 0.00 175.52 175.06 1pd7 h GLU 61 N 0.29 0.55 -1.00 0.00 5.08 -0.70 -2.84 114.58 115.95 1pd7 h GLU 61 Ca 0.25 -0.30 0.22 0.00 -1.00 0.00 0.00 59.36 58.53 1pd7 h GLU 61 Cb 0.32 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 1pd7 h GLU 61 CO -0.30 0.90 0.62 0.28 -1.00 0.00 0.00 179.01 179.51 1pd7 h VAL 62 N 0.23 0.61 -0.04 3.13 2.07 -1.56 -1.15 116.25 119.55 1pd7 h VAL 62 Ca 0.03 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1pd7 h VAL 62 Cb 0.81 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1pd7 h VAL 62 CO 0.06 0.11 -0.36 0.00 0.02 0.00 0.00 177.57 177.41 1pd7 h ALA 63 N 1.67 1.34 0.00 1.67 0.00 -1.18 -2.29 119.26 120.45 1pd7 h ALA 63 Ca 0.60 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1pd7 h ALA 63 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pd7 h ALA 63 CO -0.38 0.48 -0.35 -2.95 0.00 0.00 0.00 179.25 176.05 1pd7 h ASN 64 N 0.07 0.00 0.80 0.00 7.08 -1.08 -1.75 115.58 120.70 1pd7 h ASN 64 Ca 0.01 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.07 1pd7 h ASN 64 Cb 0.66 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.88 1pd7 h ASN 64 CO 0.05 0.35 -0.75 -0.07 -2.08 0.00 0.00 177.43 174.93 1pd7 h LEU 65 N 0.00 0.00 -1.42 6.14 4.07 -1.40 -3.34 115.31 119.36 1pd7 h LEU 65 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pd7 h LEU 65 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1pd7 h LEU 65 CO 0.05 0.75 -0.10 0.49 -1.08 0.00 0.00 178.44 178.55 1pd7 n PHE 66 N -3.60 0.00 -1.26 1.13 3.01 -0.89 -5.02 117.46 110.83 1pd7 n PHE 66 Ca -0.01 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.97 1pd7 n PHE 66 Cb 0.74 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.67 0.00 0.00 -1.08 1.85 -0.69 -2.41 116.66 115.00 1pd7 n ARG 67 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1pd7 n ARG 67 Cb 0.50 -1.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 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 2.91 0.27 2.89 2.89 0.00 -1.26 -5.01 105.19 107.86 1pd7 n GLY 68 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.89 1.95 0.42 1.61 -0.21 -1.01 -4.94 119.66 116.59 1pd7 s GLN 69 Ca 0.00 -2.68 0.23 0.00 0.02 0.00 0.00 55.36 52.94 1pd7 s GLN 69 Cb 0.00 -3.14 0.38 0.00 1.00 0.00 0.00 33.01 31.25 1pd7 s GLN 69 CO 0.00 -1.16 1.62 1.05 -2.12 0.00 0.00 175.29 174.68 1pd7 h GLU 70 N 6.26 0.00 -0.90 2.91 9.09 -1.95 -3.28 114.58 126.72 1pd7 h GLU 70 Ca -0.01 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.63 1pd7 h GLU 70 Cb 0.87 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.84 1pd7 h GLU 70 CO 0.66 0.00 0.38 -0.44 0.05 0.00 0.00 179.01 179.65 1pd7 h ASP 71 N 0.00 0.29 -0.03 3.06 5.19 -1.98 -1.22 116.42 121.73 1pd7 h ASP 71 Ca 0.00 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1pd7 h ASP 71 Cb 0.98 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 1pd7 h ASP 71 CO 0.00 -0.04 -0.03 -0.07 -3.12 0.00 0.00 179.24 175.98 1pd7 h LEU 72 N 0.36 0.08 -1.40 1.55 3.38 -1.99 -3.20 115.31 114.10 1pd7 h LEU 72 Ca 0.57 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 72 Cb 1.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pd7 h LEU 72 CO -0.55 0.57 -0.15 -0.07 0.09 0.00 0.00 178.44 178.32 1pd7 h LEU 73 N -0.41 0.00 0.03 1.67 -0.00 -1.61 -1.68 115.31 113.30 1pd7 h LEU 73 Ca 0.00 0.00 -0.00 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 0.01 0.15 -0.01 0.28 -0.00 0.00 0.00 178.44 178.87 1pd7 h SER 74 N 0.00 -0.03 1.01 -0.43 0.02 -1.29 -2.70 113.55 110.13 1pd7 h SER 74 Ca -0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1pd7 h SER 74 Cb 0.60 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1pd7 h SER 74 CO 0.02 0.28 0.00 -0.33 -1.14 0.00 0.00 176.83 175.66 1pd7 h GLU 75 N -0.34 0.00 0.00 3.45 5.08 -1.51 -3.09 114.58 118.17 1pd7 h GLU 75 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1pd7 h GLU 75 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1pd7 h GLU 75 CO 0.01 0.00 -0.05 0.35 -1.00 0.00 0.00 179.01 178.32 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.97 -1.42 116.94 122.45 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 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 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 0.60 0.00 2.00 2.40 0.00 -1.51 -2.31 103.07 104.25 1pd7 h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pd7 h GLY 77 CO 0.01 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.01 1pd7 h GLN 78 N 0.00 0.00 -0.00 4.80 4.20 -1.48 -2.02 115.11 120.61 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 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1pd7 h GLN 78 CO 0.00 0.00 -0.25 1.19 -0.67 0.00 0.00 178.83 179.10 1pd7 n PHE 79 N -2.77 0.00 -4.04 2.96 3.01 -0.87 -4.87 117.46 110.88 1pd7 n PHE 79 Ca 0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.23 1pd7 n PHE 79 Cb 0.41 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 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 -2.73 2.84 0.01 4.37 1.43 -0.76 -5.08 118.68 118.76 1pd7 s LEU 80 Ca 0.20 -1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 1pd7 s LEU 80 Cb 0.19 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.02 1pd7 s LEU 80 CO 0.56 -0.86 0.96 -0.65 0.23 0.00 0.00 176.35 176.60 1pd7 h PRO 81 N 1.06 -0.59 0.00 1.29 0.11 -1.90 -3.48 132.00 128.49 1pd7 h PRO 81 Ca -0.40 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pd7 h PRO 81 Cb 1.29 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1pd7 h PRO 81 CO 0.63 -0.39 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 1pd7 n GLU 82 N -4.16 0.00 0.00 1.05 1.02 -1.26 -4.94 120.64 112.35 1pd7 n GLU 82 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1pd7 n GLU 82 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 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 -3.00 0.00 -0.95 0.62 0.00 -1.26 -4.65 120.51 111.28 1pd7 n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pd7 n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.82 0.00 -0.86 0.00 4.01 -1.26 -5.03 118.16 114.20 1pd7 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pd7 n LYS 84 Cb 0.00 -2.50 0.00 0.00 -0.51 0.00 0.00 35.03 32.02 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83