#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 -1.69 -4.59 1.62 7.64 -1.26 -4.98 113.62 110.36 1pd7 n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1pd7 n SER 2 Cb 0.00 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1pd7 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pd7 s ASP 3 N -0.31 6.63 0.00 6.43 1.11 -1.26 -4.84 116.67 124.42 1pd7 s ASP 3 Ca 0.00 0.46 0.14 0.00 0.18 0.00 0.00 52.55 53.33 1pd7 s ASP 3 Cb 0.00 -2.45 0.23 0.00 1.07 0.00 0.00 42.92 41.77 1pd7 s ASP 3 CO 0.00 -0.87 1.07 -1.20 1.18 0.00 0.00 175.17 175.34 1pd7 n SER 4 N 6.80 0.46 -0.05 0.27 7.64 -1.26 -4.86 113.62 122.62 1pd7 n SER 4 Ca 0.06 -1.95 -0.12 0.00 1.01 0.00 0.00 58.87 57.87 1pd7 n SER 4 Cb 0.48 -0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 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 6.76 1.30 0.00 0.44 2.07 -1.99 -2.75 116.25 122.08 1pd7 h VAL 5 Ca -0.17 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1pd7 h VAL 5 Cb 1.65 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1pd7 h VAL 5 CO 0.03 0.30 -0.02 1.05 0.02 0.00 0.00 177.57 178.95 1pd7 h GLU 6 N -0.06 0.00 -0.30 1.57 4.11 -1.98 -0.07 114.58 117.85 1pd7 h GLU 6 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1pd7 h GLU 6 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1pd7 h GLU 6 CO 0.02 0.02 0.13 0.35 0.07 0.00 0.00 179.01 179.60 1pd7 h PHE 7 N 0.00 0.44 0.00 2.06 3.57 -1.88 -2.14 116.94 118.99 1pd7 h PHE 7 Ca -0.00 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1pd7 h PHE 7 Cb 0.78 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1pd7 h PHE 7 CO 0.00 0.42 -0.61 -0.91 -2.23 0.00 0.00 178.31 174.98 1pd7 h ASN 8 N 0.34 0.00 -0.21 0.41 2.35 -1.00 -0.43 115.58 117.04 1pd7 h ASN 8 Ca 0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1pd7 h ASN 8 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1pd7 h ASN 8 CO -0.01 0.61 0.01 0.78 -1.65 0.00 0.00 177.43 177.17 1pd7 h ASN 9 N 0.00 0.45 -0.23 5.81 2.35 -0.98 0.15 115.58 123.13 1pd7 h ASN 9 Ca -0.01 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1pd7 h ASN 9 Cb 1.19 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 1pd7 h ASN 9 CO 0.08 0.51 -0.35 0.00 -1.65 0.00 0.00 177.43 176.01 1pd7 h ALA 10 N 1.55 0.35 -0.01 -0.83 0.00 -0.61 -2.90 119.26 116.82 1pd7 h ALA 10 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1pd7 h ALA 10 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pd7 h ALA 10 CO 0.01 0.41 -0.10 0.82 0.00 0.00 0.00 179.25 180.40 1pd7 h ILE 11 N 0.34 0.75 -0.68 0.00 1.08 -0.68 -1.31 117.51 117.00 1pd7 h ILE 11 Ca 0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.59 1pd7 h ILE 11 Cb 0.94 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1pd7 h ILE 11 CO 0.08 0.00 0.45 0.28 -0.69 0.00 0.00 178.15 178.28 1pd7 h SER 12 N -0.16 0.49 0.23 1.72 0.02 -0.81 0.18 113.55 115.22 1pd7 h SER 12 Ca 0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1pd7 h SER 12 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1pd7 h SER 12 CO -0.11 0.29 -0.11 0.22 -1.14 0.00 0.00 176.83 175.98 1pd7 h TYR 13 N 0.54 -0.29 -0.61 3.45 3.20 -1.23 -1.40 116.97 120.63 1pd7 h TYR 13 Ca 0.32 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.21 1pd7 h TYR 13 Cb 0.52 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1pd7 h TYR 13 CO -0.00 0.09 0.37 0.28 -1.64 0.00 0.00 178.16 177.26 1pd7 h VAL 14 N -0.75 1.06 -0.68 1.81 2.07 -0.87 -0.07 116.25 118.81 1pd7 h VAL 14 Ca -0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1pd7 h VAL 14 Cb 0.50 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1pd7 h VAL 14 CO 0.05 0.13 0.35 -1.13 0.02 0.00 0.00 177.57 177.00 1pd7 h ASN 15 N 0.73 0.85 -0.51 0.57 -1.24 -0.72 0.10 115.58 115.36 1pd7 h ASN 15 Ca 0.25 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 1pd7 h ASN 15 Cb 0.04 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1pd7 h ASN 15 CO -0.11 0.70 0.13 0.50 -1.29 0.00 0.00 177.43 177.37 1pd7 h LYS 16 N 0.96 0.82 -0.11 6.67 3.64 -0.52 -0.86 116.57 127.16 1pd7 h LYS 16 Ca 0.24 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1pd7 h LYS 16 Cb 0.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1pd7 h LYS 16 CO -0.04 0.78 -0.03 0.82 -2.27 0.00 0.00 179.45 178.72 1pd7 h ILE 17 N 0.71 0.89 -0.22 2.00 2.04 -0.72 0.47 117.51 122.68 1pd7 h ILE 17 Ca 0.16 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1pd7 h ILE 17 Cb 0.32 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1pd7 h ILE 17 CO 0.00 0.00 -0.13 0.07 0.00 0.00 0.00 178.15 178.09 1pd7 h LYS 18 N 0.00 0.36 0.02 2.37 2.10 -0.71 0.42 116.57 121.13 1pd7 h LYS 18 Ca 0.05 -0.09 -0.21 0.00 -2.00 0.00 0.00 60.65 58.40 1pd7 h LYS 18 Cb 0.08 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1pd7 h LYS 18 CO -0.11 0.49 -0.96 1.15 -2.00 0.00 0.00 179.45 178.02 1pd7 h THR 19 N 0.34 1.52 0.04 0.07 2.02 -0.88 -3.31 112.91 112.70 1pd7 h THR 19 Ca 0.07 -2.78 -0.25 0.00 0.77 0.00 0.00 66.41 64.21 1pd7 h THR 19 Cb 0.43 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1pd7 h THR 19 CO 0.03 0.81 -1.24 0.03 0.37 0.00 0.00 175.52 175.52 1pd7 h ARG 20 N 0.09 0.08 -2.41 6.66 2.47 -0.68 -3.35 114.38 117.24 1pd7 h ARG 20 Ca -0.06 -0.13 -0.60 0.00 -1.26 0.00 0.00 59.98 57.93 1pd7 h ARG 20 Cb 1.62 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 29.87 1pd7 h ARG 20 CO 0.15 0.96 1.68 1.19 0.56 0.00 0.00 179.97 184.51 1pd7 n PHE 21 N -3.34 1.98 0.02 3.04 3.72 0.12 -4.26 117.46 118.74 1pd7 n PHE 21 Ca -0.07 -2.44 -0.06 0.00 -0.05 0.00 0.00 57.45 54.83 1pd7 n PHE 21 Cb 0.99 -1.76 -0.11 0.00 -0.94 0.00 0.00 39.48 37.66 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 5.19 0.00 -0.90 4.37 3.38 -1.70 -3.26 115.31 122.38 1pd7 h LEU 22 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1pd7 h LEU 22 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pd7 h LEU 22 CO 1.20 0.89 0.00 0.44 0.09 0.00 0.00 178.44 181.05 1pd7 h ASP 23 N 0.00 0.00 -2.93 -0.43 3.32 -1.92 -3.39 116.42 111.07 1pd7 h ASP 23 Ca -0.19 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.26 1pd7 h ASP 23 Cb 1.84 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.99 1pd7 h ASP 23 CO 0.08 0.00 -0.74 -1.00 -1.72 0.00 0.00 179.24 175.87 1pd7 s HIS 24 N -3.47 2.49 -1.48 4.55 3.76 -1.23 -4.95 115.29 114.96 1pd7 s HIS 24 Ca 0.04 -2.86 0.26 0.00 -0.15 0.00 0.00 55.06 52.35 1pd7 s HIS 24 Cb 0.08 -1.98 1.36 0.00 1.11 0.00 0.00 32.58 33.15 1pd7 s HIS 24 CO 0.56 -0.68 1.90 -0.35 -0.85 0.00 0.00 174.74 175.33 1pd7 n PRO 25 N 2.51 0.42 0.06 8.40 -0.04 -1.25 -3.49 135.00 141.61 1pd7 n PRO 25 Ca 0.21 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1pd7 n PRO 25 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.23 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pd7 h GLU 26 N 0.00 0.01 -0.46 0.54 5.08 -1.92 -3.30 114.58 114.52 1pd7 h GLU 26 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1pd7 h GLU 26 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1pd7 h GLU 26 CO 0.00 0.99 0.31 0.82 -1.00 0.00 0.00 179.01 180.13 1pd7 h ILE 27 N 0.00 1.06 0.00 3.13 1.08 -1.93 -0.51 117.51 120.35 1pd7 h ILE 27 Ca -0.03 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1pd7 h ILE 27 Cb 1.79 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1pd7 h ILE 27 CO 0.13 0.10 0.00 0.22 -0.69 0.00 0.00 178.15 177.91 1pd7 h TYR 28 N 0.53 0.00 0.09 1.37 3.20 -1.80 -0.03 116.97 120.33 1pd7 h TYR 28 Ca 0.18 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1pd7 h TYR 28 Cb 0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1pd7 h TYR 28 CO -0.00 0.00 -0.04 0.00 -1.64 0.00 0.00 178.16 176.47 1pd7 h ARG 29 N 0.00 -0.12 0.03 1.82 2.47 -1.30 -3.42 114.38 113.86 1pd7 h ARG 29 Ca 0.00 0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.51 1pd7 h ARG 29 Cb 0.13 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1pd7 h ARG 29 CO 0.00 -0.08 -1.01 0.66 0.56 0.00 0.00 179.97 180.10 1pd7 h SER 30 N -0.96 0.12 -0.14 7.04 4.64 -1.39 -3.00 113.55 119.86 1pd7 h SER 30 Ca -0.01 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1pd7 h SER 30 Cb 0.10 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 1pd7 h SER 30 CO 0.02 1.05 -0.34 0.15 -0.87 0.00 0.00 176.83 176.85 1pd7 h PHE 31 N 0.03 -0.94 -0.08 4.77 3.57 -1.28 -1.92 116.94 121.09 1pd7 h PHE 31 Ca -0.04 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 1pd7 h PHE 31 Cb 1.74 0.43 0.01 0.00 2.79 0.00 0.00 35.95 40.92 1pd7 h PHE 31 CO 0.02 -0.41 -0.84 -0.07 -2.23 0.00 0.00 178.31 174.78 1pd7 h LEU 32 N -0.41 0.74 -0.96 0.59 3.38 -1.79 -2.92 115.31 113.94 1pd7 h LEU 32 Ca 0.09 -0.52 0.27 0.00 0.09 0.00 0.00 57.88 57.81 1pd7 h LEU 32 Cb 0.56 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 40.95 1pd7 h LEU 32 CO -0.37 1.30 0.48 -0.33 0.09 0.00 0.00 178.44 179.61 1pd7 h GLU 33 N 0.39 0.36 -0.15 1.13 4.39 -1.37 0.42 114.58 119.75 1pd7 h GLU 33 Ca -0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1pd7 h GLU 33 Cb 1.46 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1pd7 h GLU 33 CO 0.16 0.24 -0.03 0.82 -1.16 0.00 0.00 179.01 179.04 1pd7 h ILE 34 N 0.38 1.28 0.00 3.13 2.04 -1.21 -3.07 117.51 120.06 1pd7 h ILE 34 Ca 0.65 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1pd7 h ILE 34 Cb 1.35 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1pd7 h ILE 34 CO -0.57 0.28 0.00 -0.07 0.00 0.00 0.00 178.15 177.79 1pd7 h LEU 35 N -0.00 0.00 -1.67 1.44 3.38 -1.04 -2.45 115.31 114.97 1pd7 h LEU 35 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1pd7 h LEU 35 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pd7 h LEU 35 CO 0.01 0.00 -0.15 0.45 0.09 0.00 0.00 178.44 178.84 1pd7 h HIS 36 N 0.00 0.00 -0.26 1.13 3.86 -0.12 0.17 115.15 119.93 1pd7 h HIS 36 Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1pd7 h HIS 36 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1pd7 h HIS 36 CO 0.00 0.15 -0.31 1.15 0.86 0.00 0.00 177.93 179.78 1pd7 h THR 37 N 0.00 1.28 0.57 2.45 2.02 -1.48 -2.83 112.91 114.93 1pd7 h THR 37 Ca -0.00 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 1pd7 h THR 37 Cb 0.46 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1pd7 h THR 37 CO 0.02 0.44 -0.27 0.22 0.37 0.00 0.00 175.52 176.30 1pd7 h TYR 38 N 0.45 -0.71 0.00 3.16 5.03 -1.36 -3.36 116.97 120.18 1pd7 h TYR 38 Ca 0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1pd7 h TYR 38 Cb 0.76 0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1pd7 h TYR 38 CO 0.03 -0.44 0.00 0.37 -1.32 0.00 0.00 178.16 176.80 1pd7 h GLN 39 N -1.09 0.00 -0.99 1.82 -0.00 -1.07 -3.27 115.11 110.51 1pd7 h GLN 39 Ca -0.08 0.00 0.34 0.00 -0.00 0.00 0.00 58.65 58.91 1pd7 h GLN 39 Cb 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 27.91 1pd7 h GLN 39 CO 0.13 0.00 0.53 -0.22 0.00 0.00 0.00 178.83 179.27 1pd7 h LYS 40 N 0.00 0.24 -1.00 1.69 3.64 -1.65 -3.09 116.57 116.39 1pd7 h LYS 40 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1pd7 h LYS 40 Cb 0.36 -0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 31.94 1pd7 h LYS 40 CO 0.00 0.16 -0.25 1.05 -2.27 0.00 0.00 179.45 178.13 1pd7 h GLU 41 N 0.24 -0.00 -0.34 1.90 -0.00 -1.83 -0.90 114.58 113.65 1pd7 h GLU 41 Ca 0.74 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 60.15 1pd7 h GLU 41 Cb 1.74 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.48 1pd7 h GLU 41 CO -0.65 -0.00 0.23 1.96 -0.00 0.00 0.00 179.01 180.55 1pd7 h GLN 42 N -0.00 0.26 -0.00 1.06 4.20 -1.86 -2.31 115.11 116.46 1pd7 h GLN 42 Ca 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1pd7 h GLN 42 Cb 0.72 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1pd7 h GLN 42 CO -1.03 0.17 -0.78 1.28 -0.67 0.00 0.00 178.83 177.80 1pd7 n LEU 43 N -4.48 0.95 0.14 1.46 4.77 -0.55 -4.53 117.00 114.76 1pd7 n LEU 43 Ca 0.04 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.24 1pd7 n LEU 43 Cb 0.22 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.15 1pd7 n LEU 43 CO 0.35 0.22 -0.28 -0.74 -1.33 0.00 0.00 177.39 175.61 1pd7 h HIS 44 N 0.24 0.95 -4.28 -1.77 2.76 -0.63 -3.46 115.15 108.96 1pd7 h HIS 44 Ca 0.00 -0.69 -0.48 0.00 -2.20 0.00 0.00 60.37 57.00 1pd7 h HIS 44 Cb 0.44 -0.04 0.08 0.00 1.55 0.00 0.00 27.41 29.44 1pd7 h HIS 44 CO 0.00 1.58 0.35 0.95 -1.30 0.00 0.00 177.93 179.51 1pd7 s THR 45 N -2.60 3.01 -0.73 6.26 -4.23 -1.15 -5.00 115.64 111.20 1pd7 s THR 45 Ca -0.10 0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1pd7 s THR 45 Cb 0.04 -3.30 0.35 0.00 1.34 0.00 0.00 72.50 70.93 1pd7 s THR 45 CO 0.93 -0.37 1.43 0.29 -0.54 0.00 0.00 174.62 176.36 1pd7 n LYS 46 N -3.00 3.84 0.00 3.99 4.01 -1.26 -4.89 118.16 120.84 1pd7 n LYS 46 Ca 0.07 -4.50 0.00 0.00 -0.51 0.00 0.00 58.31 53.37 1pd7 n LYS 46 Cb 0.59 -2.31 0.00 0.00 -0.51 0.00 0.00 35.03 32.79 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pd7 n GLY 47 N -0.29 -1.50 3.87 0.72 0.00 -1.26 -5.16 105.19 101.57 1pd7 n GLY 47 Ca 0.41 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.76 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 3.80 0.86 1.61 1.70 -1.26 -5.08 118.95 120.58 1pd7 s ARG 48 Ca 0.00 0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 55.59 1pd7 s ARG 48 Cb 0.00 -2.44 0.11 0.00 -0.57 0.00 0.00 34.95 32.05 1pd7 s ARG 48 CO 0.00 0.04 1.12 -1.25 -1.08 0.00 0.00 175.30 174.13 1pd7 s PRO 49 N -3.61 1.56 0.00 3.89 0.04 -1.26 -4.72 135.00 130.89 1pd7 s PRO 49 Ca 0.51 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1pd7 s PRO 49 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1pd7 s PRO 49 CO 0.28 -1.94 0.00 0.34 0.04 0.00 0.00 177.00 175.72 1pd7 n PHE 50 N -3.62 0.00 0.62 0.56 7.35 -1.26 -5.03 117.46 116.08 1pd7 n PHE 50 Ca 0.07 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1pd7 n PHE 50 Cb 0.58 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.30 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pd7 n ARG 51 N 0.00 0.90 0.00 -4.13 5.12 -1.26 -4.98 116.66 112.31 1pd7 n ARG 51 Ca 0.00 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1pd7 n ARG 51 Cb 0.00 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pd7 n GLY 52 N 1.43 1.63 0.00 -0.13 0.00 -1.26 -4.81 105.19 102.05 1pd7 n GLY 52 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.30 1.61 0.00 -1.26 -4.97 117.12 109.20 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 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 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 1.06 6.75 0.57 3.17 1.04 -1.26 -4.97 113.70 120.05 1pd7 s SER 54 Ca 0.00 0.89 0.25 0.00 0.48 0.00 0.00 55.95 57.57 1pd7 s SER 54 Cb 0.00 -2.30 1.60 0.00 0.10 0.00 0.00 66.02 65.42 1pd7 s SER 54 CO 0.00 0.03 2.18 1.05 0.98 0.00 0.00 173.24 177.48 1pd7 h GLU 55 N 6.46 0.00 0.00 4.02 9.09 -2.00 -0.11 114.58 132.04 1pd7 h GLU 55 Ca -0.42 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.99 1pd7 h GLU 55 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1pd7 h GLU 55 CO 0.74 0.00 -0.01 0.93 0.05 0.00 0.00 179.01 180.72 1pd7 h GLU 56 N 0.00 0.00 0.21 1.06 4.39 -1.99 -2.98 114.58 115.26 1pd7 h GLU 56 Ca 0.03 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.38 1pd7 h GLU 56 Cb 0.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1pd7 h GLU 56 CO -0.00 0.01 -1.66 1.05 -1.16 0.00 0.00 179.01 177.25 1pd7 h GLU 57 N 0.00 0.44 -0.24 2.33 4.11 -1.42 -2.11 114.58 117.69 1pd7 h GLU 57 Ca -0.00 -0.75 -0.12 0.00 0.07 0.00 0.00 59.36 58.56 1pd7 h GLU 57 Cb 0.02 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1pd7 h GLU 57 CO 0.00 1.36 -0.36 -0.24 0.07 0.00 0.00 179.01 179.83 1pd7 h VAL 58 N 0.10 1.29 0.28 -1.06 3.04 -1.63 -1.45 116.25 116.83 1pd7 h VAL 58 Ca -0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.88 1pd7 h VAL 58 Cb 2.11 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 32.87 1pd7 h VAL 58 CO 0.20 0.47 -0.31 0.15 -1.01 0.00 0.00 177.57 177.08 1pd7 h PHE 59 N 0.45 -0.83 -0.91 3.17 3.04 -1.64 -3.07 116.94 117.15 1pd7 h PHE 59 Ca 0.05 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.16 1pd7 h PHE 59 Cb 0.84 0.33 -0.10 0.00 2.56 0.00 0.00 35.95 39.58 1pd7 h PHE 59 CO 0.03 -0.44 0.50 0.00 -2.02 0.00 0.00 178.31 176.38 1pd7 h THR 60 N -0.63 0.74 0.29 4.41 1.03 -0.57 -2.01 112.91 116.17 1pd7 h THR 60 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 66.41 66.14 1pd7 h THR 60 Cb 0.59 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 1pd7 h THR 60 CO -0.08 0.13 -0.14 -0.33 -0.01 0.00 0.00 175.52 175.09 1pd7 h GLU 61 N 0.70 -0.37 -1.10 0.00 4.39 -1.44 -3.26 114.58 113.50 1pd7 h GLU 61 Ca 0.50 0.03 0.31 0.00 0.34 0.00 0.00 59.36 60.53 1pd7 h GLU 61 Cb 0.71 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 1pd7 h GLU 61 CO -0.36 -0.04 0.76 0.28 -1.16 0.00 0.00 179.01 178.49 1pd7 h VAL 62 N -0.95 0.46 -0.31 3.13 2.07 -1.39 0.97 116.25 120.24 1pd7 h VAL 62 Ca -0.04 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1pd7 h VAL 62 Cb 0.50 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1pd7 h VAL 62 CO 0.06 0.03 -0.12 0.00 0.02 0.00 0.00 177.57 177.56 1pd7 h ALA 63 N 1.51 1.21 0.00 1.67 0.00 -1.41 -1.70 119.26 120.53 1pd7 h ALA 63 Ca 0.56 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 1pd7 h ALA 63 Cb 1.93 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1pd7 h ALA 63 CO -0.12 0.51 -0.85 -2.95 0.00 0.00 0.00 179.25 175.85 1pd7 h ASN 64 N 0.49 0.06 -0.19 0.00 7.08 -0.86 -2.15 115.58 120.02 1pd7 h ASN 64 Ca 0.09 -0.05 -0.02 0.00 -3.08 0.00 0.00 56.30 53.24 1pd7 h ASN 64 Cb 0.51 -0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 1pd7 h ASN 64 CO 0.03 0.88 0.04 -0.07 -2.08 0.00 0.00 177.43 176.23 1pd7 h LEU 65 N 0.02 0.29 0.00 6.14 4.07 -1.45 -3.32 115.31 121.07 1pd7 h LEU 65 Ca -0.02 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1pd7 h LEU 65 Cb 1.49 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1pd7 h LEU 65 CO 0.12 0.47 -0.59 0.49 -1.08 0.00 0.00 178.44 177.84 1pd7 n PHE 66 N -4.77 0.56 -1.20 1.13 3.01 -0.66 -5.00 117.46 110.54 1pd7 n PHE 66 Ca -0.04 0.16 -0.47 0.00 1.01 0.00 0.00 57.45 58.11 1pd7 n PHE 66 Cb 0.18 -0.66 -0.07 0.00 -0.01 0.00 0.00 39.48 38.92 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 -2.10 0.00 0.00 -1.08 0.63 -0.81 -2.84 116.66 110.45 1pd7 n ARG 67 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1pd7 n ARG 67 Cb 0.44 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.20 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 1.63 3.14 3.33 5.14 0.00 -1.26 -5.04 105.19 112.13 1pd7 n GLY 68 Ca 0.17 -1.04 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 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 3.13 0.31 1.61 -0.21 -1.13 -4.86 119.66 118.51 1pd7 s GLN 69 Ca 0.00 -1.78 0.17 0.00 0.02 0.00 0.00 55.36 53.77 1pd7 s GLN 69 Cb 0.00 -4.33 0.16 0.00 1.00 0.00 0.00 33.01 29.84 1pd7 s GLN 69 CO 0.00 -1.37 1.49 0.93 -2.12 0.00 0.00 175.29 174.22 1pd7 h GLU 70 N 8.74 0.00 0.00 2.91 4.39 -1.96 -3.32 114.58 125.34 1pd7 h GLU 70 Ca -0.21 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1pd7 h GLU 70 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1pd7 h GLU 70 CO 1.00 0.40 -0.32 0.38 -1.16 0.00 0.00 179.01 179.32 1pd7 h ASP 71 N 0.00 0.00 -0.32 1.42 2.03 -2.00 -2.16 116.42 115.39 1pd7 h ASP 71 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.20 1pd7 h ASP 71 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1pd7 h ASP 71 CO 0.05 0.32 -0.17 -0.07 -1.03 0.00 0.00 179.24 178.34 1pd7 h LEU 72 N 0.00 0.70 -1.40 0.15 3.38 -1.99 -3.11 115.31 113.04 1pd7 h LEU 72 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1pd7 h LEU 72 Cb 0.61 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pd7 h LEU 72 CO 0.04 0.96 0.00 -0.07 0.09 0.00 0.00 178.44 179.46 1pd7 h LEU 73 N 0.44 0.00 0.05 1.67 -0.00 -1.60 -2.02 115.31 113.84 1pd7 h LEU 73 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1pd7 h LEU 73 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1pd7 h LEU 73 CO 0.05 0.00 -0.02 -1.28 -0.00 0.00 0.00 178.44 177.19 1pd7 h SER 74 N 0.00 -0.05 1.02 -0.43 0.87 -1.34 -2.78 113.55 110.83 1pd7 h SER 74 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1pd7 h SER 74 Cb 0.42 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1pd7 h SER 74 CO 0.00 0.01 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.93 1pd7 h GLU 75 N -0.11 0.00 0.00 2.24 5.08 -1.41 -2.71 114.58 117.66 1pd7 h GLU 75 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1pd7 h GLU 75 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pd7 h GLU 75 CO 0.01 0.05 -0.19 0.35 -1.00 0.00 0.00 179.01 178.23 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.12 -2.92 116.94 120.80 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 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1pd7 h PHE 76 CO 0.00 0.19 0.00 0.78 -2.23 0.00 0.00 178.31 177.05 1pd7 h GLY 77 N 0.69 0.00 1.55 2.40 0.00 -1.29 -1.82 103.07 104.60 1pd7 h GLY 77 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1pd7 h GLY 77 CO 0.02 0.00 -0.60 1.46 0.00 0.00 0.00 176.54 177.42 1pd7 h GLN 78 N 0.00 0.46 -0.01 4.80 4.20 -1.69 -3.16 115.11 119.71 1pd7 h GLN 78 Ca 0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1pd7 h GLN 78 Cb 0.21 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1pd7 h GLN 78 CO 0.00 0.92 -0.13 1.19 -0.67 0.00 0.00 178.83 180.14 1pd7 n PHE 79 N -3.92 0.00 -3.39 2.96 3.72 -0.69 -4.55 117.46 111.59 1pd7 n PHE 79 Ca -0.03 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.93 1pd7 n PHE 79 Cb 0.63 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 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 -2.29 5.40 -0.93 4.37 1.43 -1.15 -5.03 118.68 120.47 1pd7 s LEU 80 Ca 0.31 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.02 1pd7 s LEU 80 Cb 0.20 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1pd7 s LEU 80 CO 0.44 -0.60 1.55 -2.16 0.23 0.00 0.00 176.35 175.81 1pd7 s PRO 81 N 1.73 3.26 0.00 1.29 0.04 -1.26 -4.80 135.00 135.26 1pd7 s PRO 81 Ca 0.05 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1pd7 s PRO 81 Cb -0.22 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1pd7 s PRO 81 CO 0.08 -2.47 0.00 0.39 0.04 0.00 0.00 177.00 175.05 1pd7 n GLU 82 N 8.98 0.00 -0.01 4.56 1.02 -1.26 -5.02 120.64 128.91 1pd7 n GLU 82 Ca 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1pd7 n GLU 82 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.59 1.96 -2.13 0.62 0.00 -1.26 -5.08 120.51 112.03 1pd7 n ALA 83 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1pd7 n ALA 83 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pd7 n LYS 84 N -2.52 -0.66 0.00 0.00 4.81 -1.26 -5.31 118.16 113.22 1pd7 n LYS 84 Ca -0.03 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1pd7 n LYS 84 Cb 0.54 -3.16 0.00 0.00 0.02 0.00 0.00 35.03 32.43 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11