#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 -1.87 -4.28 1.62 7.64 -1.26 -4.93 113.62 110.54 1pd7 n SER 2 Ca 0.00 0.15 -0.32 0.00 1.01 0.00 0.00 58.87 59.71 1pd7 n SER 2 Cb 0.00 -0.96 -0.16 0.00 -1.01 0.00 0.00 64.21 62.08 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 -3.74 3.48 -0.88 6.43 1.01 -1.26 -4.91 116.67 116.79 1pd7 s ASP 3 Ca 0.00 -0.47 -0.04 0.00 0.71 0.00 0.00 52.55 52.75 1pd7 s ASP 3 Cb 0.00 -1.50 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1pd7 s ASP 3 CO 0.00 0.16 0.54 -1.20 0.21 0.00 0.00 175.17 174.87 1pd7 n SER 4 N 3.56 -4.47 0.08 0.27 7.64 -1.26 -4.96 113.62 114.47 1pd7 n SER 4 Ca -0.19 -0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.29 1pd7 n SER 4 Cb 0.53 -3.20 -0.09 0.00 -1.01 0.00 0.00 64.21 60.43 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 -1.23 0.00 0.00 0.44 2.07 -1.95 -0.39 116.25 115.20 1pd7 h VAL 5 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1pd7 h VAL 5 Cb 1.22 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1pd7 h VAL 5 CO 0.34 0.00 -0.13 1.05 0.02 0.00 0.00 177.57 178.85 1pd7 h GLU 6 N -0.67 0.00 -0.64 1.57 4.11 -1.99 -1.42 114.58 115.54 1pd7 h GLU 6 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pd7 h GLU 6 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1pd7 h GLU 6 CO -0.31 0.03 0.39 0.35 0.07 0.00 0.00 179.01 179.54 1pd7 h PHE 7 N 0.00 0.84 0.00 2.06 3.57 -1.95 -2.22 116.94 119.25 1pd7 h PHE 7 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pd7 h PHE 7 Cb 1.03 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1pd7 h PHE 7 CO 0.00 0.57 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.71 1pd7 h ASN 8 N 0.87 0.00 1.42 0.41 2.35 -0.03 0.89 115.58 121.49 1pd7 h ASN 8 Ca 0.23 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.86 1pd7 h ASN 8 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1pd7 h ASN 8 CO -0.04 0.03 -0.59 0.78 -1.65 0.00 0.00 177.43 175.96 1pd7 h ASN 9 N 0.00 0.00 -0.17 5.81 2.35 -1.13 -1.11 115.58 121.33 1pd7 h ASN 9 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1pd7 h ASN 9 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1pd7 h ASN 9 CO 0.00 0.58 -0.18 0.00 -1.65 0.00 0.00 177.43 176.18 1pd7 h ALA 10 N 1.42 0.25 -0.27 -0.83 0.00 -0.54 -3.08 119.26 116.21 1pd7 h ALA 10 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1pd7 h ALA 10 Cb 1.44 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1pd7 h ALA 10 CO 0.07 0.16 -0.23 0.82 0.00 0.00 0.00 179.25 180.08 1pd7 h ILE 11 N 0.06 0.41 -0.02 0.00 1.08 -0.85 -1.62 117.51 116.56 1pd7 h ILE 11 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1pd7 h ILE 11 Cb 0.73 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1pd7 h ILE 11 CO 0.04 0.00 0.03 0.28 -0.69 0.00 0.00 178.15 177.81 1pd7 h SER 12 N -0.22 0.00 0.28 1.72 0.02 -1.29 0.12 113.55 114.18 1pd7 h SER 12 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1pd7 h SER 12 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1pd7 h SER 12 CO -0.40 0.00 -0.13 0.22 -1.14 0.00 0.00 176.83 175.38 1pd7 h TYR 13 N 0.00 -0.35 -0.94 3.45 3.20 -1.21 -0.18 116.97 120.94 1pd7 h TYR 13 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1pd7 h TYR 13 Cb 0.07 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 1pd7 h TYR 13 CO 0.00 0.01 0.60 0.28 -1.64 0.00 0.00 178.16 177.41 1pd7 h VAL 14 N -0.82 1.05 -0.27 1.81 2.07 -0.95 -0.83 116.25 118.32 1pd7 h VAL 14 Ca -0.04 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1pd7 h VAL 14 Cb 0.51 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1pd7 h VAL 14 CO 0.06 0.20 0.12 -1.13 0.02 0.00 0.00 177.57 176.84 1pd7 h ASN 15 N 1.07 0.36 -0.78 0.57 -1.24 -0.86 -1.45 115.58 113.25 1pd7 h ASN 15 Ca 0.41 -0.14 0.08 0.00 0.71 0.00 0.00 56.30 57.36 1pd7 h ASN 15 Cb 0.19 -0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.08 1pd7 h ASN 15 CO -0.18 0.40 0.45 0.11 -1.29 0.00 0.00 177.43 176.92 1pd7 h LYS 16 N 0.29 0.76 0.01 6.67 1.79 -0.20 0.78 116.57 126.67 1pd7 h LYS 16 Ca 0.09 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1pd7 h LYS 16 Cb 0.14 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1pd7 h LYS 16 CO -0.01 0.50 -0.01 0.82 -1.08 0.00 0.00 179.45 179.67 1pd7 h ILE 17 N 0.78 1.01 -0.89 1.86 2.04 -1.16 -1.94 117.51 119.20 1pd7 h ILE 17 Ca 0.37 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1pd7 h ILE 17 Cb 0.29 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1pd7 h ILE 17 CO -0.22 0.01 0.49 0.07 0.00 0.00 0.00 178.15 178.50 1pd7 h LYS 18 N -0.04 1.24 -0.10 2.37 2.10 -0.72 -1.19 116.57 120.24 1pd7 h LYS 18 Ca -0.00 -0.14 -0.11 0.00 -2.00 0.00 0.00 60.65 58.39 1pd7 h LYS 18 Cb 0.04 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 31.11 1pd7 h LYS 18 CO 0.00 0.91 -0.44 1.15 -2.00 0.00 0.00 179.45 179.07 1pd7 h THR 19 N 1.25 1.32 0.18 0.07 2.02 -0.76 -2.98 112.91 114.02 1pd7 h THR 19 Ca 0.31 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1pd7 h THR 19 Cb 0.02 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1pd7 h THR 19 CO -0.05 0.47 -0.09 -0.09 0.37 0.00 0.00 175.52 176.14 1pd7 h ARG 20 N 0.19 -0.23 -1.94 6.66 1.12 -1.15 -3.36 114.38 115.66 1pd7 h ARG 20 Ca 0.01 0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.75 1pd7 h ARG 20 Cb 0.86 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.82 1pd7 h ARG 20 CO 0.07 0.17 -0.05 1.19 -3.11 0.00 0.00 179.97 178.24 1pd7 n PHE 21 N -4.94 0.32 0.09 2.20 3.72 -0.47 -3.86 117.46 114.53 1pd7 n PHE 21 Ca -0.08 -1.37 -0.06 0.00 -0.05 0.00 0.00 57.45 55.89 1pd7 n PHE 21 Cb 0.26 -1.01 0.04 0.00 -0.94 0.00 0.00 39.48 37.82 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 3.71 0.15 -1.30 4.37 3.38 -1.68 -2.62 115.31 121.32 1pd7 h LEU 22 Ca 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1pd7 h LEU 22 Cb 1.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1pd7 h LEU 22 CO 0.25 0.88 -0.19 0.44 0.09 0.00 0.00 178.44 179.91 1pd7 h ASP 23 N 0.07 0.00 -2.13 -0.43 3.32 -1.91 -3.36 116.42 111.99 1pd7 h ASP 23 Ca -0.02 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.47 1pd7 h ASP 23 Cb 1.39 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.53 1pd7 h ASP 23 CO 0.11 0.19 -0.87 1.41 -1.72 0.00 0.00 179.24 178.36 1pd7 n HIS 24 N -3.41 1.98 1.57 4.55 8.25 -1.03 -4.95 115.22 122.19 1pd7 n HIS 24 Ca -0.00 -3.89 0.12 0.00 -0.26 0.00 0.00 57.72 53.68 1pd7 n HIS 24 Cb 0.38 -0.46 0.70 0.00 1.12 0.00 0.00 29.99 31.73 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 0.54 0.79 0.21 -0.41 -0.04 -1.02 -1.85 135.00 133.22 1pd7 n PRO 25 Ca 0.27 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1pd7 n PRO 25 Cb 0.49 -1.47 0.28 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.60 0.54 4.11 -1.93 -3.22 114.58 113.48 1pd7 h GLU 26 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1pd7 h GLU 26 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1pd7 h GLU 26 CO 0.00 0.14 0.21 0.82 0.07 0.00 0.00 179.01 180.25 1pd7 h ILE 27 N 0.00 1.22 -0.43 -1.06 1.08 -1.70 -1.94 117.51 114.68 1pd7 h ILE 27 Ca -0.00 -0.74 0.13 0.00 -0.39 0.00 0.00 64.86 63.86 1pd7 h ILE 27 Cb 0.96 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1pd7 h ILE 27 CO 0.02 0.29 0.34 0.22 -0.69 0.00 0.00 178.15 178.33 1pd7 h TYR 28 N 0.87 0.00 0.02 1.37 3.20 -1.75 -0.90 116.97 119.79 1pd7 h TYR 28 Ca 0.20 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1pd7 h TYR 28 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1pd7 h TYR 28 CO 0.01 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.53 1pd7 h ARG 29 N 0.00 -0.03 -0.05 1.82 -0.00 -1.53 -3.40 114.38 111.20 1pd7 h ARG 29 Ca 0.21 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.56 1pd7 h ARG 29 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.85 1pd7 h ARG 29 CO -0.00 0.17 -0.56 1.03 0.00 0.00 0.00 179.97 180.60 1pd7 h SER 30 N -1.00 0.17 -0.29 7.04 0.87 -1.13 -2.56 113.55 116.65 1pd7 h SER 30 Ca -0.00 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1pd7 h SER 30 Cb 0.21 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1pd7 h SER 30 CO 0.00 0.70 -0.15 2.19 -0.53 0.00 0.00 176.83 179.05 1pd7 h PHE 31 N 0.12 0.80 -0.28 2.24 -0.00 -1.44 -2.87 116.94 115.51 1pd7 h PHE 31 Ca -0.00 -0.15 -0.17 0.00 -0.00 0.00 0.00 57.97 57.65 1pd7 h PHE 31 Cb 1.03 -0.20 -0.00 0.00 -0.00 0.00 0.00 35.95 36.78 1pd7 h PHE 31 CO 0.01 0.82 -0.50 -0.07 -0.00 0.00 0.00 178.31 178.58 1pd7 h LEU 32 N 0.65 0.86 -1.01 2.10 3.38 -1.69 -2.75 115.31 116.85 1pd7 h LEU 32 Ca 0.11 -0.44 0.22 0.00 0.09 0.00 0.00 57.88 57.85 1pd7 h LEU 32 Cb 0.61 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 1pd7 h LEU 32 CO 0.04 1.21 0.60 -0.33 0.09 0.00 0.00 178.44 180.05 1pd7 h GLU 33 N 0.61 0.65 -0.40 1.13 5.08 -1.36 0.13 114.58 120.43 1pd7 h GLU 33 Ca 0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1pd7 h GLU 33 Cb 1.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1pd7 h GLU 33 CO 0.11 0.43 0.02 0.82 -1.00 0.00 0.00 179.01 179.39 1pd7 h ILE 34 N 0.67 1.25 0.00 3.13 2.04 -1.28 -2.85 117.51 120.48 1pd7 h ILE 34 Ca 0.61 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1pd7 h ILE 34 Cb 1.06 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1pd7 h ILE 34 CO -0.43 0.33 0.00 -0.07 0.00 0.00 0.00 178.15 177.98 1pd7 h LEU 35 N 0.52 0.00 -1.10 1.44 3.38 -0.90 -2.31 115.31 116.35 1pd7 h LEU 35 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 35 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1pd7 h LEU 35 CO 0.02 0.00 -0.25 0.45 0.09 0.00 0.00 178.44 178.75 1pd7 h HIS 36 N 0.00 0.36 -0.15 1.13 3.86 -0.55 -1.19 115.15 118.61 1pd7 h HIS 36 Ca 0.00 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1pd7 h HIS 36 Cb 0.30 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1pd7 h HIS 36 CO 0.00 0.56 0.10 1.15 0.86 0.00 0.00 177.93 180.60 1pd7 h THR 37 N 0.30 1.00 0.22 2.45 2.02 -1.43 -1.89 112.91 115.57 1pd7 h THR 37 Ca 0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1pd7 h THR 37 Cb 0.61 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1pd7 h THR 37 CO 0.04 0.02 -0.10 0.22 0.37 0.00 0.00 175.52 176.07 1pd7 h TYR 38 N 0.13 -0.27 0.00 3.16 3.20 -1.51 -3.39 116.97 118.29 1pd7 h TYR 38 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1pd7 h TYR 38 Cb 0.08 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1pd7 h TYR 38 CO -0.00 -0.17 0.00 -0.56 -1.64 0.00 0.00 178.16 175.79 1pd7 h GLN 39 N -0.99 0.00 -1.66 1.82 3.07 -1.09 -3.30 115.11 112.96 1pd7 h GLN 39 Ca -0.03 0.00 0.52 0.00 0.09 0.00 0.00 58.65 59.23 1pd7 h GLN 39 Cb 0.22 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.67 1pd7 h GLN 39 CO 0.05 0.00 1.14 -0.22 0.09 0.00 0.00 178.83 179.89 1pd7 h LYS 40 N 0.00 0.01 0.00 0.06 3.64 -1.54 0.66 116.57 119.39 1pd7 h LYS 40 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pd7 h LYS 40 Cb 0.39 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1pd7 h LYS 40 CO 0.00 0.01 0.06 1.05 -2.27 0.00 0.00 179.45 178.29 1pd7 h GLU 41 N 0.01 0.00 0.00 1.90 4.11 -1.88 -3.33 114.58 115.39 1pd7 h GLU 41 Ca 0.90 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.32 1pd7 h GLU 41 Cb 3.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.52 1pd7 h GLU 41 CO -0.24 0.00 -0.54 1.04 0.07 0.00 0.00 179.01 179.34 1pd7 n GLN 42 N -2.96 0.05 0.00 1.06 6.02 0.11 -3.15 117.38 118.50 1pd7 n GLN 42 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1pd7 n GLN 42 Cb 0.12 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 30.80 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pd7 n LEU 43 N -3.37 0.00 -0.13 1.08 4.77 -0.53 -0.86 117.00 117.95 1pd7 n LEU 43 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1pd7 n LEU 43 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1pd7 n LEU 43 CO 0.01 0.00 0.19 1.57 -1.33 0.00 0.00 177.39 177.83 1pd7 n HIS 44 N 0.00 0.00 -3.84 -1.77 -0.00 -1.26 -5.02 115.22 103.33 1pd7 n HIS 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pd7 n HIS 44 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1pd7 n HIS 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1pd7 n THR 45 N 0.00 0.00 -1.66 3.57 5.66 -0.04 -5.15 114.28 116.66 1pd7 n THR 45 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1pd7 n THR 45 Cb 0.54 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.38 1pd7 n THR 45 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pd7 s LYS 46 N -1.51 2.51 -0.69 1.09 1.02 -1.26 -4.69 119.74 116.22 1pd7 s LYS 46 Ca 0.00 0.65 -0.27 0.00 0.02 0.00 0.00 55.97 56.36 1pd7 s LYS 46 Cb 0.00 -1.97 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 1pd7 s LYS 46 CO 0.00 -1.32 1.25 0.20 -0.92 0.00 0.00 175.35 174.55 1pd7 s GLY 47 N -4.03 0.97 0.60 -3.33 0.00 -1.26 -4.60 107.32 95.67 1pd7 s GLY 47 Ca 0.59 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.96 1pd7 s GLY 47 CO 0.54 2.59 1.05 0.50 0.00 0.00 0.00 173.10 177.78 1pd7 s ARG 48 N 5.46 3.34 -1.19 2.90 1.81 -1.19 -4.95 118.95 125.13 1pd7 s ARG 48 Ca 0.37 1.14 -0.22 0.00 -1.72 0.00 0.00 55.73 55.30 1pd7 s ARG 48 Cb -0.08 -2.04 -0.08 0.00 -0.45 0.00 0.00 34.95 32.30 1pd7 s ARG 48 CO 0.18 -0.79 1.92 -2.30 -0.68 0.00 0.00 175.30 173.63 1pd7 n PRO 49 N -2.14 1.71 0.00 3.54 -0.02 -1.26 -4.85 135.00 131.98 1pd7 n PRO 49 Ca 0.08 -2.51 0.00 0.00 -2.02 0.00 0.00 63.50 59.06 1pd7 n PRO 49 Cb 0.53 -3.69 0.00 0.00 -0.02 0.00 0.00 33.50 30.32 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 13.80 0.00 0.00 6.00 7.35 -1.26 -5.15 117.46 138.20 1pd7 n PHE 50 Ca 0.45 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1pd7 n PHE 50 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 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 0.00 -0.14 -4.13 5.12 -1.26 -5.14 116.66 111.10 1pd7 n ARG 51 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1pd7 n ARG 51 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 3.74 -1.33 0.00 -0.13 0.00 -1.26 -4.91 105.19 101.30 1pd7 n GLY 52 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 1.15 1.64 -4.10 1.61 0.00 -1.26 -5.07 117.12 111.10 1pd7 n MET 53 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.39 1pd7 n MET 53 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 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 -1.33 5.41 0.35 3.17 0.01 -1.26 -5.01 113.70 115.03 1pd7 s SER 54 Ca 0.00 -0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.34 1pd7 s SER 54 Cb 0.00 -1.43 0.86 0.00 0.21 0.00 0.00 66.02 65.66 1pd7 s SER 54 CO 0.00 0.20 1.82 -0.33 0.41 0.00 0.00 173.24 175.34 1pd7 h GLU 55 N 3.55 0.63 -0.56 12.44 3.07 -2.00 -0.81 114.58 130.90 1pd7 h GLU 55 Ca -0.47 -0.04 0.16 0.00 -0.50 0.00 0.00 59.36 58.51 1pd7 h GLU 55 Cb 1.17 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 1pd7 h GLU 55 CO 0.63 0.42 0.42 1.05 -1.40 0.00 0.00 179.01 180.13 1pd7 h GLU 56 N 0.65 0.00 0.20 2.33 4.11 -1.95 -2.34 114.58 117.58 1pd7 h GLU 56 Ca 0.52 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.60 1pd7 h GLU 56 Cb 0.95 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.21 1pd7 h GLU 56 CO -0.28 0.00 -1.69 1.05 0.07 0.00 0.00 179.01 178.16 1pd7 h GLU 57 N 0.00 0.42 -0.33 1.06 4.11 -1.55 -1.58 114.58 116.71 1pd7 h GLU 57 Ca 0.27 -0.72 -0.13 0.00 0.07 0.00 0.00 59.36 58.85 1pd7 h GLU 57 Cb 1.11 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1pd7 h GLU 57 CO -0.00 1.34 -0.32 -0.24 0.07 0.00 0.00 179.01 179.86 1pd7 h VAL 58 N 0.10 1.28 -0.20 -1.06 3.04 -1.60 0.44 116.25 118.25 1pd7 h VAL 58 Ca -0.33 -1.46 0.04 0.00 -1.01 0.00 0.00 66.70 63.94 1pd7 h VAL 58 Cb 2.10 1.38 -0.04 0.00 -2.01 0.00 0.00 31.29 32.72 1pd7 h VAL 58 CO 0.19 0.48 -0.04 0.15 -1.01 0.00 0.00 177.57 177.34 1pd7 h PHE 59 N 0.60 -0.08 -0.43 3.17 3.57 -1.55 -2.40 116.94 119.83 1pd7 h PHE 59 Ca 0.07 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1pd7 h PHE 59 Cb 0.84 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 1pd7 h PHE 59 CO 0.04 -0.07 0.15 0.00 -2.23 0.00 0.00 178.31 176.21 1pd7 h THR 60 N 0.02 0.87 -0.08 4.41 1.03 -0.19 -2.06 112.91 116.92 1pd7 h THR 60 Ca 0.10 -0.11 -0.22 0.00 -0.01 0.00 0.00 66.41 66.16 1pd7 h THR 60 Cb 0.14 0.52 0.01 0.00 -1.07 0.00 0.00 68.15 67.75 1pd7 h THR 60 CO -0.20 0.06 -0.85 -0.33 -0.01 0.00 0.00 175.52 174.19 1pd7 h GLU 61 N 0.32 0.62 -0.71 0.00 5.08 -0.93 -2.84 114.58 116.11 1pd7 h GLU 61 Ca 0.20 -0.56 0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1pd7 h GLU 61 Cb 0.18 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 61 CO -0.20 1.18 0.47 0.28 -1.00 0.00 0.00 179.01 179.74 1pd7 h VAL 62 N 0.40 0.93 -0.08 3.13 2.07 -1.38 -2.19 116.25 119.13 1pd7 h VAL 62 Ca -0.07 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1pd7 h VAL 62 Cb 1.48 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1pd7 h VAL 62 CO 0.16 0.11 -0.30 0.00 0.02 0.00 0.00 177.57 177.56 1pd7 h ALA 63 N 1.64 1.35 -0.13 1.67 0.00 -1.13 -2.70 119.26 119.96 1pd7 h ALA 63 Ca 0.33 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1pd7 h ALA 63 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pd7 h ALA 63 CO -0.11 0.46 -0.51 -2.95 0.00 0.00 0.00 179.25 176.14 1pd7 h ASN 64 N 0.13 0.39 0.32 0.00 7.08 -1.27 -0.81 115.58 121.42 1pd7 h ASN 64 Ca 0.02 -0.20 -0.10 0.00 -3.08 0.00 0.00 56.30 52.94 1pd7 h ASN 64 Cb 0.60 -0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 1pd7 h ASN 64 CO 0.04 0.83 -0.42 -0.07 -2.08 0.00 0.00 177.43 175.74 1pd7 h LEU 65 N 0.28 0.14 -0.97 6.14 4.07 -1.50 -3.24 115.31 120.23 1pd7 h LEU 65 Ca 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1pd7 h LEU 65 Cb 0.99 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1pd7 h LEU 65 CO 0.09 0.55 -0.46 0.49 -1.08 0.00 0.00 178.44 178.03 1pd7 n PHE 66 N -4.03 0.00 -1.54 1.13 3.01 -1.04 -5.02 117.46 109.97 1pd7 n PHE 66 Ca -0.02 0.00 -0.60 0.00 1.01 0.00 0.00 57.45 57.84 1pd7 n PHE 66 Cb 0.47 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.05 0.00 0.00 -1.08 0.63 -0.34 -1.17 116.66 114.65 1pd7 n ARG 67 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1pd7 n ARG 67 Cb 0.44 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.99 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 3.19 2.74 3.38 5.14 0.00 -1.26 -5.02 105.19 113.36 1pd7 n GLY 68 Ca 0.26 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 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 3.36 0.26 1.61 -0.21 -0.31 -4.88 119.66 119.48 1pd7 s GLN 69 Ca 0.00 -1.81 0.15 0.00 0.02 0.00 0.00 55.36 53.72 1pd7 s GLN 69 Cb 0.00 -4.49 0.04 0.00 1.00 0.00 0.00 33.01 29.57 1pd7 s GLN 69 CO 0.00 -1.51 1.38 0.93 -2.12 0.00 0.00 175.29 173.97 1pd7 h GLU 70 N 8.64 0.00 0.00 2.91 5.08 -1.95 -3.34 114.58 125.91 1pd7 h GLU 70 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1pd7 h GLU 70 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1pd7 h GLU 70 CO 0.99 0.48 -0.27 0.38 -1.00 0.00 0.00 179.01 179.59 1pd7 h ASP 71 N 0.00 0.00 -0.39 1.42 2.03 -1.98 -2.60 116.42 114.90 1pd7 h ASP 71 Ca -0.02 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.15 1pd7 h ASP 71 Cb 1.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.89 1pd7 h ASP 71 CO 0.06 0.27 -0.27 -0.07 -1.03 0.00 0.00 179.24 178.21 1pd7 h LEU 72 N 0.00 0.95 -0.69 0.15 3.38 -1.98 -2.56 115.31 114.56 1pd7 h LEU 72 Ca -0.00 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1pd7 h LEU 72 Cb 0.69 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pd7 h LEU 72 CO 0.04 1.15 -0.02 -0.07 0.09 0.00 0.00 178.44 179.63 1pd7 h LEU 73 N 0.78 0.00 -0.32 1.67 -0.00 -1.67 -2.09 115.31 113.68 1pd7 h LEU 73 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.89 1pd7 h LEU 73 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 1pd7 h LEU 73 CO 0.07 0.02 -0.12 -1.28 -0.00 0.00 0.00 178.44 177.13 1pd7 h SER 74 N 0.00 0.65 0.82 -0.43 0.87 -1.32 -2.34 113.55 111.81 1pd7 h SER 74 Ca -0.00 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1pd7 h SER 74 Cb 0.78 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1pd7 h SER 74 CO 0.00 0.90 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.87 1pd7 h GLU 75 N 0.41 0.00 0.00 2.24 4.39 -1.26 -1.84 114.58 118.52 1pd7 h GLU 75 Ca 0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1pd7 h GLU 75 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1pd7 h GLU 75 CO 0.04 0.00 -0.19 0.35 -1.16 0.00 0.00 179.01 178.05 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.04 -0.97 -3.28 116.94 120.05 1pd7 h PHE 76 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pd7 h PHE 76 Cb 0.42 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1pd7 h PHE 76 CO 0.00 0.19 0.00 0.78 -2.02 0.00 0.00 178.31 177.26 1pd7 h GLY 77 N 2.64 0.00 0.51 2.40 0.00 -0.81 -2.24 103.07 105.57 1pd7 h GLY 77 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1pd7 h GLY 77 CO 0.02 0.00 0.23 1.46 0.00 0.00 0.00 176.54 178.25 1pd7 h GLN 78 N 0.00 0.41 0.00 4.80 1.08 -1.69 -3.09 115.11 116.63 1pd7 h GLN 78 Ca 0.00 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 1pd7 h GLN 78 Cb 0.35 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1pd7 h GLN 78 CO 0.00 0.27 -0.71 0.35 -0.95 0.00 0.00 178.83 177.80 1pd7 h PHE 79 N 0.43 0.00 -4.32 2.96 3.57 -1.83 -3.50 116.94 114.25 1pd7 h PHE 79 Ca 0.27 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 61.26 1pd7 h PHE 79 Cb 0.28 0.00 0.08 0.00 2.79 0.00 0.00 35.95 39.10 1pd7 h PHE 79 CO -0.15 1.17 0.38 -0.51 -2.23 0.00 0.00 178.31 176.98 1pd7 s LEU 80 N -8.04 3.23 0.62 0.59 1.43 -0.85 -5.02 118.68 110.63 1pd7 s LEU 80 Ca -0.23 1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1pd7 s LEU 80 Cb 0.02 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 1pd7 s LEU 80 CO 0.59 -1.23 1.13 -2.84 0.23 0.00 0.00 176.35 174.22 1pd7 s PRO 81 N -4.89 2.98 -0.11 1.29 0.02 -1.26 -4.70 135.00 128.32 1pd7 s PRO 81 Ca 0.58 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.91 1pd7 s PRO 81 Cb -0.13 -1.96 -0.18 0.00 0.02 0.00 0.00 34.50 32.24 1pd7 s PRO 81 CO 0.51 -1.13 0.64 0.93 -0.33 0.00 0.00 177.00 177.61 1pd7 h GLU 82 N 0.50 -0.03 0.00 5.54 5.08 -1.95 -3.48 114.58 120.24 1pd7 h GLU 82 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1pd7 h GLU 82 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pd7 h GLU 82 CO 0.55 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 1pd7 n ALA 83 N -2.63 0.84 -2.96 3.43 0.00 -1.26 -5.00 120.51 112.93 1pd7 n ALA 83 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1pd7 n ALA 83 Cb 0.33 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.80 1pd7 n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pd7 n LYS 84 N -1.18 0.91 0.00 0.00 2.85 -1.26 -5.08 118.16 114.40 1pd7 n LYS 84 Ca 0.00 -2.59 0.14 0.00 -1.05 0.00 0.00 58.31 54.81 1pd7 n LYS 84 Cb 0.00 -1.36 0.51 0.00 -0.65 0.00 0.00 35.03 33.53 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89