#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 -3.19 0.00 -1.84 7.64 -1.26 -4.99 113.62 109.97 1pd7 n SER 2 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1pd7 n SER 2 Cb 0.00 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.52 1pd7 n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pd7 n ASP 3 N -2.76 0.00 -4.23 6.43 9.92 -1.26 -4.93 116.55 119.71 1pd7 n ASP 3 Ca -0.01 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.83 1pd7 n ASP 3 Cb 0.25 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.68 1pd7 n ASP 3 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pd7 s SER 4 N -0.98 6.24 -0.10 -2.24 1.04 -1.26 -4.86 113.70 111.53 1pd7 s SER 4 Ca 0.00 -2.96 -0.22 0.00 0.48 0.00 0.00 55.95 53.25 1pd7 s SER 4 Cb 0.00 -2.06 -0.19 0.00 0.10 0.00 0.00 66.02 63.87 1pd7 s SER 4 CO 0.00 -0.43 0.71 0.58 0.98 0.00 0.00 173.24 175.07 1pd7 h VAL 5 N 4.74 1.27 0.00 5.02 2.07 -1.94 -3.23 116.25 124.18 1pd7 h VAL 5 Ca 0.08 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1pd7 h VAL 5 Cb 0.97 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1pd7 h VAL 5 CO 0.77 0.40 0.00 1.05 0.02 0.00 0.00 177.57 179.81 1pd7 h GLU 6 N -0.92 0.00 -0.43 1.57 4.11 -1.98 0.08 114.58 117.01 1pd7 h GLU 6 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1pd7 h GLU 6 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1pd7 h GLU 6 CO 0.01 0.00 0.24 0.35 0.07 0.00 0.00 179.01 179.68 1pd7 h PHE 7 N 0.00 0.58 0.00 2.06 3.57 -1.96 -1.22 116.94 119.96 1pd7 h PHE 7 Ca 0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1pd7 h PHE 7 Cb 0.61 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1pd7 h PHE 7 CO 0.00 0.43 -0.55 -0.91 -2.23 0.00 0.00 178.31 175.05 1pd7 h ASN 8 N 0.56 0.00 0.43 0.41 2.35 -1.11 -0.98 115.58 117.24 1pd7 h ASN 8 Ca 0.15 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1pd7 h ASN 8 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1pd7 h ASN 8 CO -0.03 0.55 -0.42 0.78 -1.65 0.00 0.00 177.43 176.67 1pd7 h ASN 9 N 0.00 0.00 -0.20 5.81 2.35 -0.97 0.86 115.58 123.43 1pd7 h ASN 9 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1pd7 h ASN 9 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1pd7 h ASN 9 CO 0.07 0.42 -0.03 0.00 -1.65 0.00 0.00 177.43 176.25 1pd7 h ALA 10 N 1.58 0.27 -0.24 -0.83 0.00 -0.39 -3.02 119.26 116.62 1pd7 h ALA 10 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1pd7 h ALA 10 Cb 0.75 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1pd7 h ALA 10 CO 0.05 0.02 -0.02 0.82 0.00 0.00 0.00 179.25 180.12 1pd7 h ILE 11 N 0.10 0.80 0.00 0.00 1.08 -0.86 -1.92 117.51 116.71 1pd7 h ILE 11 Ca 0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1pd7 h ILE 11 Cb 0.45 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1pd7 h ILE 11 CO 0.02 0.01 0.00 0.28 -0.69 0.00 0.00 178.15 177.76 1pd7 h SER 12 N 0.05 0.00 0.24 1.72 0.02 -0.90 0.25 113.55 114.93 1pd7 h SER 12 Ca 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1pd7 h SER 12 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1pd7 h SER 12 CO -0.21 0.00 -0.12 0.22 -1.14 0.00 0.00 176.83 175.58 1pd7 h TYR 13 N 0.00 -0.30 -0.66 3.45 3.20 -1.22 -3.23 116.97 118.22 1pd7 h TYR 13 Ca 0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1pd7 h TYR 13 Cb 0.03 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1pd7 h TYR 13 CO 0.00 -0.14 0.43 0.28 -1.64 0.00 0.00 178.16 177.09 1pd7 h VAL 14 N -1.07 1.17 -0.88 1.81 2.07 -1.15 -1.53 116.25 116.67 1pd7 h VAL 14 Ca -0.03 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1pd7 h VAL 14 Cb 0.29 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1pd7 h VAL 14 CO 0.05 0.16 0.57 -1.13 0.02 0.00 0.00 177.57 177.24 1pd7 h ASN 15 N 0.89 0.94 -0.28 0.57 -1.24 -0.69 0.85 115.58 116.61 1pd7 h ASN 15 Ca 0.24 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.12 1pd7 h ASN 15 Cb -0.10 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.73 1pd7 h ASN 15 CO -0.05 0.64 -0.26 0.11 -1.29 0.00 0.00 177.43 176.58 1pd7 h LYS 16 N 1.09 0.78 -0.04 6.67 1.57 -1.32 -0.79 116.57 124.53 1pd7 h LYS 16 Ca 0.35 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1pd7 h LYS 16 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1pd7 h LYS 16 CO -0.12 0.95 -0.03 0.82 -0.57 0.00 0.00 179.45 180.50 1pd7 h ILE 17 N 0.67 0.91 0.06 1.86 2.04 -1.03 0.08 117.51 122.10 1pd7 h ILE 17 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1pd7 h ILE 17 Cb 0.79 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1pd7 h ILE 17 CO 0.06 0.00 -0.34 0.11 0.00 0.00 0.00 178.15 177.98 1pd7 h LYS 18 N -0.03 -0.51 0.00 2.37 1.57 -0.76 -0.94 116.57 118.27 1pd7 h LYS 18 Ca 0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1pd7 h LYS 18 Cb 0.07 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1pd7 h LYS 18 CO -0.06 -0.34 0.00 1.15 -0.57 0.00 0.00 179.45 179.63 1pd7 h THR 19 N -0.53 0.00 0.02 -0.16 2.02 -0.98 -2.96 112.91 110.32 1pd7 h THR 19 Ca 0.05 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 1pd7 h THR 19 Cb 0.59 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1pd7 h THR 19 CO -0.24 0.00 -0.49 0.03 0.37 0.00 0.00 175.52 175.19 1pd7 h ARG 20 N 0.00 0.05 -2.24 6.66 2.47 -0.99 -3.39 114.38 116.94 1pd7 h ARG 20 Ca 0.00 -0.08 -0.33 0.00 -1.26 0.00 0.00 59.98 58.31 1pd7 h ARG 20 Cb 0.86 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.15 1pd7 h ARG 20 CO 0.00 1.04 0.69 1.19 0.56 0.00 0.00 179.97 183.45 1pd7 n PHE 21 N -4.47 0.70 0.09 3.04 3.72 -0.36 -3.97 117.46 116.21 1pd7 n PHE 21 Ca -0.17 -1.92 -0.17 0.00 -0.05 0.00 0.00 57.45 55.14 1pd7 n PHE 21 Cb 0.59 -1.80 -0.14 0.00 -0.94 0.00 0.00 39.48 37.19 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 5.41 0.44 -0.92 4.37 3.38 -1.73 -3.20 115.31 123.06 1pd7 h LEU 22 Ca 0.37 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pd7 h LEU 22 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pd7 h LEU 22 CO 0.65 1.43 0.00 0.44 0.09 0.00 0.00 178.44 181.05 1pd7 h ASP 23 N 0.08 0.00 -2.70 -0.43 5.19 -1.92 -3.35 116.42 113.30 1pd7 h ASP 23 Ca -0.20 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.61 1pd7 h ASP 23 Cb 2.01 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 41.12 1pd7 h ASP 23 CO 0.19 0.00 -0.80 -1.00 -3.12 0.00 0.00 179.24 174.50 1pd7 s HIS 24 N -3.41 2.13 -2.00 4.55 3.76 -1.21 -4.97 115.29 114.15 1pd7 s HIS 24 Ca 0.03 -2.74 0.30 0.00 -0.15 0.00 0.00 55.06 52.50 1pd7 s HIS 24 Cb 0.09 -1.68 1.82 0.00 1.11 0.00 0.00 32.58 33.92 1pd7 s HIS 24 CO 0.41 -0.71 2.16 -0.35 -0.85 0.00 0.00 174.74 175.40 1pd7 n PRO 25 N 2.51 0.98 0.08 8.40 -0.04 -1.23 -3.68 135.00 142.02 1pd7 n PRO 25 Ca 0.25 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1pd7 n PRO 25 Cb 0.42 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.09 -0.78 0.54 4.11 -1.93 -3.31 114.58 113.30 1pd7 h GLU 26 Ca 0.00 -0.12 0.01 0.00 0.07 0.00 0.00 59.36 59.32 1pd7 h GLU 26 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1pd7 h GLU 26 CO 0.00 0.97 0.51 0.82 0.07 0.00 0.00 179.01 181.38 1pd7 h ILE 27 N 0.04 1.20 -0.99 -1.06 1.08 -1.93 -0.98 117.51 114.88 1pd7 h ILE 27 Ca -0.04 -0.39 0.24 0.00 -0.39 0.00 0.00 64.86 64.29 1pd7 h ILE 27 Cb 1.65 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 35.38 1pd7 h ILE 27 CO 0.14 0.20 0.64 0.22 -0.69 0.00 0.00 178.15 178.66 1pd7 h TYR 28 N 1.06 0.61 0.00 1.37 3.20 -1.81 -0.04 116.97 121.37 1pd7 h TYR 28 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1pd7 h TYR 28 Cb -0.11 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1pd7 h TYR 28 CO 0.00 0.11 -0.22 0.00 -1.64 0.00 0.00 178.16 176.41 1pd7 h ARG 29 N 0.41 0.00 0.04 1.82 -0.00 -1.38 -3.39 114.38 111.89 1pd7 h ARG 29 Ca 0.54 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.79 1pd7 h ARG 29 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.30 1pd7 h ARG 29 CO -0.24 0.68 -1.08 0.66 0.00 0.00 0.00 179.97 179.99 1pd7 h SER 30 N -1.00 0.15 -0.53 7.04 4.64 -1.23 -2.92 113.55 119.70 1pd7 h SER 30 Ca -0.05 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 1pd7 h SER 30 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1pd7 h SER 30 CO -0.03 1.12 0.13 2.19 -0.87 0.00 0.00 176.83 179.37 1pd7 h PHE 31 N 0.03 0.90 -0.05 4.77 -5.15 -1.24 -3.07 116.94 113.12 1pd7 h PHE 31 Ca -0.05 -0.11 -0.17 0.00 -0.20 0.00 0.00 57.97 57.44 1pd7 h PHE 31 Cb 1.83 -0.25 -0.01 0.00 0.22 0.00 0.00 35.95 37.74 1pd7 h PHE 31 CO 0.02 0.78 -0.72 -0.07 -2.00 0.00 0.00 178.31 176.33 1pd7 h LEU 32 N 0.75 0.34 -0.91 2.10 3.38 -1.76 -2.88 115.31 116.34 1pd7 h LEU 32 Ca 0.17 -0.23 0.25 0.00 0.09 0.00 0.00 57.88 58.17 1pd7 h LEU 32 Cb 0.34 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.84 1pd7 h LEU 32 CO 0.00 0.95 0.24 -0.08 0.09 0.00 0.00 178.44 179.64 1pd7 h GLU 33 N 0.19 0.16 -0.10 1.13 4.81 -1.43 0.49 114.58 119.84 1pd7 h GLU 33 Ca -0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1pd7 h GLU 33 Cb 1.28 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1pd7 h GLU 33 CO 0.11 0.11 0.02 0.82 -0.73 0.00 0.00 179.01 179.35 1pd7 h ILE 34 N 0.17 1.20 -0.04 2.32 2.04 -1.43 -2.59 117.51 119.18 1pd7 h ILE 34 Ca 0.58 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1pd7 h ILE 34 Cb 1.22 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1pd7 h ILE 34 CO -0.70 0.18 -0.09 -0.07 0.00 0.00 0.00 178.15 177.47 1pd7 h LEU 35 N -0.05 0.05 -1.08 1.44 3.38 -1.03 -1.75 115.31 116.26 1pd7 h LEU 35 Ca 0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1pd7 h LEU 35 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1pd7 h LEU 35 CO 0.00 0.15 -0.40 0.45 0.09 0.00 0.00 178.44 178.73 1pd7 h HIS 36 N 0.05 0.00 -0.39 1.13 3.86 0.01 -1.08 115.15 118.73 1pd7 h HIS 36 Ca 0.01 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1pd7 h HIS 36 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1pd7 h HIS 36 CO 0.00 0.40 0.26 1.15 0.86 0.00 0.00 177.93 180.60 1pd7 h THR 37 N 0.00 1.05 0.22 2.45 2.02 -0.91 -2.32 112.91 115.43 1pd7 h THR 37 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1pd7 h THR 37 Cb 0.82 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1pd7 h THR 37 CO 0.05 0.08 -0.11 0.22 0.37 0.00 0.00 175.52 176.14 1pd7 h TYR 38 N 0.46 -0.27 0.00 3.16 5.03 -1.43 -3.28 116.97 120.64 1pd7 h TYR 38 Ca 0.15 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1pd7 h TYR 38 Cb 0.05 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1pd7 h TYR 38 CO -0.00 -0.17 -0.05 0.37 -1.32 0.00 0.00 178.16 176.99 1pd7 h GLN 39 N -0.93 0.00 -0.74 1.82 -0.00 -1.02 -2.97 115.11 111.27 1pd7 h GLN 39 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.79 1pd7 h GLN 39 Cb 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 27.48 27.58 1pd7 h GLN 39 CO 0.05 0.05 0.06 -0.22 0.00 0.00 0.00 178.83 178.78 1pd7 h LYS 40 N 0.00 0.15 0.00 1.69 3.64 -1.66 -3.06 116.57 117.33 1pd7 h LYS 40 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1pd7 h LYS 40 Cb 0.68 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1pd7 h LYS 40 CO 0.01 0.10 -0.13 0.93 -2.27 0.00 0.00 179.45 178.09 1pd7 h GLU 41 N 0.15 0.00 0.00 1.90 4.39 -1.80 -3.48 114.58 115.74 1pd7 h GLU 41 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1pd7 h GLU 41 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1pd7 h GLU 41 CO -0.60 0.25 0.00 1.04 -1.16 0.00 0.00 179.01 178.54 1pd7 n GLN 42 N -4.71 0.00 -3.03 2.33 1.13 -1.16 -4.93 117.38 107.01 1pd7 n GLN 42 Ca -0.04 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.66 1pd7 n GLN 42 Cb 0.16 -0.21 -0.06 0.00 0.11 0.00 0.00 30.24 30.24 1pd7 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pd7 s LEU 43 N 0.00 4.26 -1.14 1.08 1.43 -1.26 -5.00 118.68 118.05 1pd7 s LEU 43 Ca 0.00 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1pd7 s LEU 43 Cb 0.00 -3.82 0.22 0.00 0.03 0.00 0.00 46.19 42.62 1pd7 s LEU 43 CO 0.00 -0.06 1.25 -1.00 0.23 0.00 0.00 176.35 176.78 1pd7 s HIS 44 N -1.67 3.85 0.17 0.29 3.76 -1.26 -5.01 115.29 115.43 1pd7 s HIS 44 Ca 0.48 -2.36 0.10 0.00 -0.15 0.00 0.00 55.06 53.13 1pd7 s HIS 44 Cb -0.15 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.41 1pd7 s HIS 44 CO 0.20 -1.18 -0.17 0.95 -0.85 0.00 0.00 174.74 173.69 1pd7 s THR 45 N 0.28 2.77 -0.28 1.30 -4.23 -1.26 -5.11 115.64 109.10 1pd7 s THR 45 Ca 0.36 -1.79 -0.22 0.00 -1.18 0.00 0.00 61.69 58.86 1pd7 s THR 45 Cb -0.06 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1pd7 s THR 45 CO -0.04 -0.07 0.72 -0.75 -0.54 0.00 0.00 174.62 173.94 1pd7 s LYS 46 N -2.63 4.01 0.00 3.99 2.20 -1.26 -4.21 119.74 121.84 1pd7 s LYS 46 Ca 0.22 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1pd7 s LYS 46 Cb -0.09 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1pd7 s LYS 46 CO 0.12 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1pd7 n GLY 47 N 4.18 3.03 3.82 5.54 0.00 -1.26 -5.13 105.19 115.36 1pd7 n GLY 47 Ca 0.02 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 3.48 0.00 1.61 1.70 -1.26 -5.08 118.95 119.41 1pd7 s ARG 48 Ca 0.00 1.10 0.00 0.00 -0.47 0.00 0.00 55.73 56.36 1pd7 s ARG 48 Cb 0.00 -2.06 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 1pd7 s ARG 48 CO 0.00 -0.67 0.00 -0.35 -1.08 0.00 0.00 175.30 173.20 1pd7 n PRO 49 N -1.99 0.21 0.00 3.89 -0.04 -1.26 -5.04 135.00 130.77 1pd7 n PRO 49 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1pd7 n PRO 49 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1pd7 n PRO 49 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1pd7 n PHE 50 N -1.67 0.00 0.00 0.54 -1.74 -1.26 -4.72 117.46 108.61 1pd7 n PHE 50 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1pd7 n PHE 50 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1pd7 n ARG 51 N 0.00 0.00 -2.81 3.97 1.74 -1.26 -4.77 116.66 113.52 1pd7 n ARG 51 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1pd7 n ARG 51 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1pd7 s GLY 52 N 0.00 1.98 0.00 -0.13 0.00 -1.24 -4.47 107.32 103.46 1pd7 s GLY 52 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1pd7 s GLY 52 CO 0.00 1.85 0.00 1.15 0.00 0.00 0.00 173.10 176.10 1pd7 n MET 53 N 5.60 1.55 -4.48 2.90 0.00 -1.26 -5.00 117.12 116.44 1pd7 n MET 53 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.46 1pd7 n MET 53 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.59 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 4.25 0.23 3.17 0.01 -1.26 -5.05 113.70 116.06 1pd7 s SER 54 Ca 0.00 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.86 1pd7 s SER 54 Cb 0.00 -0.84 0.37 0.00 0.21 0.00 0.00 66.02 65.76 1pd7 s SER 54 CO 0.00 0.25 1.65 1.05 0.41 0.00 0.00 173.24 176.59 1pd7 h GLU 55 N 4.31 0.11 -0.93 12.44 -0.00 -2.01 -1.38 114.58 127.12 1pd7 h GLU 55 Ca -0.48 -0.01 0.27 0.00 -0.00 0.00 0.00 59.36 59.14 1pd7 h GLU 55 Cb 1.16 -0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 29.85 1pd7 h GLU 55 CO 0.51 0.07 0.78 1.05 -0.00 0.00 0.00 179.01 181.42 1pd7 h GLU 56 N 0.11 0.00 0.19 1.06 4.11 -1.98 -1.05 114.58 117.02 1pd7 h GLU 56 Ca 0.37 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.48 1pd7 h GLU 56 Cb 0.63 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1pd7 h GLU 56 CO -0.60 0.00 -1.56 1.05 0.07 0.00 0.00 179.01 177.97 1pd7 h GLU 57 N 0.00 0.39 -0.44 1.06 4.11 -1.67 -2.37 114.58 115.66 1pd7 h GLU 57 Ca 0.44 -0.68 -0.14 0.00 0.07 0.00 0.00 59.36 59.06 1pd7 h GLU 57 Cb 2.01 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.50 1pd7 h GLU 57 CO -0.00 1.32 -0.29 -0.24 0.07 0.00 0.00 179.01 179.87 1pd7 h VAL 58 N 0.00 1.27 -0.31 -1.06 3.04 -1.43 -0.94 116.25 116.82 1pd7 h VAL 58 Ca -0.30 -1.46 0.06 0.00 -1.01 0.00 0.00 66.70 63.99 1pd7 h VAL 58 Cb 2.02 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 32.48 1pd7 h VAL 58 CO 0.18 0.50 -0.02 0.15 -1.01 0.00 0.00 177.57 177.36 1pd7 h PHE 59 N 0.81 -0.06 -0.68 3.17 3.57 -1.35 -0.81 116.94 121.58 1pd7 h PHE 59 Ca 0.09 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1pd7 h PHE 59 Cb 0.87 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1pd7 h PHE 59 CO 0.06 -0.08 0.36 0.00 -2.23 0.00 0.00 178.31 176.42 1pd7 h THR 60 N 0.06 0.93 0.03 4.41 1.03 -0.79 -1.19 112.91 117.39 1pd7 h THR 60 Ca 0.15 -0.22 -0.16 0.00 -0.01 0.00 0.00 66.41 66.17 1pd7 h THR 60 Cb 0.21 0.22 0.01 0.00 -1.07 0.00 0.00 68.15 67.52 1pd7 h THR 60 CO -0.27 0.12 -0.62 -0.33 -0.01 0.00 0.00 175.52 174.40 1pd7 h GLU 61 N 0.65 0.37 -0.82 0.00 5.08 -1.01 -3.08 114.58 115.77 1pd7 h GLU 61 Ca 0.32 -0.44 0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1pd7 h GLU 61 Cb 0.25 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1pd7 h GLU 61 CO -0.21 1.12 0.54 0.28 -1.00 0.00 0.00 179.01 179.74 1pd7 h VAL 62 N -0.19 0.83 -0.15 3.13 2.07 -1.09 -0.98 116.25 119.86 1pd7 h VAL 62 Ca -0.09 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1pd7 h VAL 62 Cb 1.37 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1pd7 h VAL 62 CO 0.12 0.10 -0.13 0.00 0.02 0.00 0.00 177.57 177.69 1pd7 h ALA 63 N 1.62 1.51 -0.07 1.67 0.00 -1.21 -2.15 119.26 120.63 1pd7 h ALA 63 Ca 0.40 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1pd7 h ALA 63 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1pd7 h ALA 63 CO -0.16 0.35 -0.62 -2.95 0.00 0.00 0.00 179.25 175.88 1pd7 h ASN 64 N 0.23 0.29 -0.24 0.00 7.08 -1.08 -0.76 115.58 121.10 1pd7 h ASN 64 Ca 0.05 -0.17 -0.13 0.00 -3.08 0.00 0.00 56.30 52.97 1pd7 h ASN 64 Cb 0.37 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.53 1pd7 h ASN 64 CO 0.02 0.84 -0.36 -0.07 -2.08 0.00 0.00 177.43 175.78 1pd7 h LEU 65 N 0.19 0.74 -0.19 6.14 4.07 -1.44 -3.29 115.31 121.54 1pd7 h LEU 65 Ca -0.01 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1pd7 h LEU 65 Cb 1.13 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1pd7 h LEU 65 CO 0.10 1.11 -0.37 0.49 -1.08 0.00 0.00 178.44 178.69 1pd7 n PHE 66 N -4.24 0.00 -1.59 1.13 3.01 -0.84 -4.98 117.46 109.95 1pd7 n PHE 66 Ca -0.05 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.91 1pd7 n PHE 66 Cb 0.51 -0.21 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.17 1.19 0.00 -1.08 0.00 -0.30 -2.26 116.66 113.04 1pd7 n ARG 67 Ca 0.08 0.42 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1pd7 n ARG 67 Cb 0.34 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.81 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 2.23 3.10 3.41 5.14 0.00 -1.26 -5.00 105.19 112.82 1pd7 n GLY 68 Ca 0.16 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 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 3.48 0.43 1.61 1.11 -0.96 -4.88 119.66 120.46 1pd7 s GLN 69 Ca 0.00 -1.78 0.23 0.00 0.01 0.00 0.00 55.36 53.82 1pd7 s GLN 69 Cb 0.00 -4.66 0.35 0.00 -1.01 0.00 0.00 33.01 27.68 1pd7 s GLN 69 CO 0.00 -1.64 1.61 0.93 0.01 0.00 0.00 175.29 176.20 1pd7 h GLU 70 N 8.72 0.00 -0.96 2.91 5.08 -1.94 -3.25 114.58 125.13 1pd7 h GLU 70 Ca 0.05 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.68 1pd7 h GLU 70 Cb 1.04 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 1pd7 h GLU 70 CO 1.04 0.03 0.47 0.22 -1.00 0.00 0.00 179.01 179.76 1pd7 h ASP 71 N 0.00 0.40 0.22 1.42 1.82 -1.96 -1.40 116.42 116.92 1pd7 h ASP 71 Ca -0.00 0.18 -0.29 0.00 -0.39 0.00 0.00 57.03 56.52 1pd7 h ASP 71 Cb 1.01 0.15 0.03 0.00 0.68 0.00 0.00 39.33 41.20 1pd7 h ASP 71 CO 0.00 -0.07 -1.30 -0.07 -1.61 0.00 0.00 179.24 176.19 1pd7 h LEU 72 N 0.36 0.74 -0.88 2.28 3.38 -1.96 -3.32 115.31 115.92 1pd7 h LEU 72 Ca 0.65 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1pd7 h LEU 72 Cb 1.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1pd7 h LEU 72 CO -0.58 1.63 0.00 -0.07 0.09 0.00 0.00 178.44 179.50 1pd7 h LEU 73 N -0.01 0.00 0.01 1.67 -0.00 -1.57 -1.86 115.31 113.56 1pd7 h LEU 73 Ca -0.23 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.67 1pd7 h LEU 73 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.66 1pd7 h LEU 73 CO 0.24 0.00 -0.09 -1.28 -0.00 0.00 0.00 178.44 177.31 1pd7 h SER 74 N 0.00 -0.25 1.36 -0.43 0.87 -1.38 -2.85 113.55 110.86 1pd7 h SER 74 Ca 0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1pd7 h SER 74 Cb 0.66 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1pd7 h SER 74 CO 0.00 -0.13 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.01 1pd7 h GLU 75 N -0.15 0.00 -0.15 2.24 4.81 -1.57 -3.10 114.58 116.67 1pd7 h GLU 75 Ca 0.03 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1pd7 h GLU 75 Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1pd7 h GLU 75 CO -0.08 0.09 0.11 0.35 -0.73 0.00 0.00 179.01 178.74 1pd7 h PHE 76 N 0.00 0.00 0.00 0.92 3.57 -1.10 -2.02 116.94 118.31 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 0.79 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1pd7 h PHE 76 CO 0.00 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.86 1pd7 h GLY 77 N 0.00 0.00 2.00 2.40 0.00 -1.54 -3.05 103.07 102.88 1pd7 h GLY 77 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1pd7 h GLY 77 CO -0.00 0.00 -0.18 1.46 0.00 0.00 0.00 176.54 177.82 1pd7 h GLN 78 N 0.00 0.00 -0.01 4.80 4.20 -1.57 -2.57 115.11 119.96 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 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1pd7 h GLN 78 CO 0.00 0.18 -0.35 1.19 -0.67 0.00 0.00 178.83 179.19 1pd7 n PHE 79 N -3.24 0.00 -3.72 2.96 3.72 -1.15 -4.92 117.46 111.11 1pd7 n PHE 79 Ca 0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1pd7 n PHE 79 Cb 0.48 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 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 -2.50 3.27 0.51 4.37 1.43 -0.97 -5.10 118.68 119.69 1pd7 s LEU 80 Ca 0.22 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1pd7 s LEU 80 Cb 0.19 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1pd7 s LEU 80 CO 0.54 -0.67 1.28 -2.84 0.23 0.00 0.00 176.35 174.89 1pd7 s PRO 81 N -4.09 3.40 0.14 1.29 0.02 -1.26 -4.94 135.00 129.56 1pd7 s PRO 81 Ca 0.45 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 63.34 1pd7 s PRO 81 Cb -0.01 -2.33 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 1pd7 s PRO 81 CO 0.26 -0.92 1.79 1.05 -0.33 0.00 0.00 177.00 178.85 1pd7 h GLU 82 N 1.71 0.40 0.00 5.54 4.11 -1.96 -3.43 114.58 120.95 1pd7 h GLU 82 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1pd7 h GLU 82 Cb 1.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pd7 h GLU 82 CO 0.58 0.28 0.00 0.00 0.07 0.00 0.00 179.01 179.94 1pd7 n ALA 83 N -2.18 0.20 -2.55 1.06 0.00 -1.26 -5.05 120.51 110.72 1pd7 n ALA 83 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1pd7 n ALA 83 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.59 -1.76 0.00 0.00 5.02 -1.26 -5.30 118.16 113.27 1pd7 n LYS 84 Ca 0.00 0.20 0.14 0.00 -2.02 0.00 0.00 58.31 56.63 1pd7 n LYS 84 Cb 0.00 -3.31 0.53 0.00 -0.02 0.00 0.00 35.03 32.22 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42