#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 -1.64 -0.00 1.62 7.64 -1.26 -5.08 113.62 114.90 1pd7 n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pd7 n SER 2 Cb 0.00 -0.82 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1pd7 n SER 2 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1pd7 h ASP 3 N 0.00 0.00 -3.18 6.43 5.19 -2.08 -3.43 116.42 119.35 1pd7 h ASP 3 Ca 0.00 0.00 -0.75 0.00 -0.62 0.00 0.00 57.03 55.66 1pd7 h ASP 3 Cb 0.00 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.27 1pd7 h ASP 3 CO 0.00 0.00 -0.27 -0.94 -3.12 0.00 0.00 179.24 174.91 1pd7 s SER 4 N -3.20 6.11 0.01 6.45 1.04 -1.26 -4.89 113.70 117.96 1pd7 s SER 4 Ca -0.00 -1.68 -0.20 0.00 0.48 0.00 0.00 55.95 54.55 1pd7 s SER 4 Cb 0.00 -2.17 -0.22 0.00 0.10 0.00 0.00 66.02 63.73 1pd7 s SER 4 CO 0.00 -0.78 1.13 0.58 0.98 0.00 0.00 173.24 175.15 1pd7 h VAL 5 N 5.89 1.42 0.00 5.02 2.07 -2.00 -3.19 116.25 125.47 1pd7 h VAL 5 Ca -0.28 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 1pd7 h VAL 5 Cb 1.10 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1pd7 h VAL 5 CO 0.97 0.57 -0.02 -0.33 0.02 0.00 0.00 177.57 178.79 1pd7 h GLU 6 N -0.10 0.00 -0.38 1.57 5.08 -1.97 0.72 114.58 119.50 1pd7 h GLU 6 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1pd7 h GLU 6 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1pd7 h GLU 6 CO 0.10 0.02 0.21 0.35 -1.00 0.00 0.00 179.01 178.69 1pd7 h PHE 7 N 0.00 0.52 0.00 4.33 3.57 -1.96 -1.63 116.94 121.77 1pd7 h PHE 7 Ca -0.00 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1pd7 h PHE 7 Cb 0.22 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1pd7 h PHE 7 CO 0.00 0.40 -0.95 -0.91 -2.23 0.00 0.00 178.31 174.61 1pd7 h ASN 8 N 0.49 0.00 0.79 0.41 2.35 -1.04 -1.42 115.58 117.16 1pd7 h ASN 8 Ca 0.13 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1pd7 h ASN 8 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1pd7 h ASN 8 CO -0.02 0.95 -0.33 0.78 -1.65 0.00 0.00 177.43 177.16 1pd7 h ASN 9 N 0.00 0.00 -0.14 5.81 2.35 -1.02 -0.05 115.58 122.53 1pd7 h ASN 9 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1pd7 h ASN 9 Cb 1.72 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.08 1pd7 h ASN 9 CO 0.12 0.33 -0.09 0.00 -1.65 0.00 0.00 177.43 176.14 1pd7 h ALA 10 N 1.67 0.20 -0.15 -0.83 0.00 -0.78 -3.32 119.26 116.05 1pd7 h ALA 10 Ca -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1pd7 h ALA 10 Cb 0.81 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1pd7 h ALA 10 CO 0.04 0.02 -0.09 0.82 0.00 0.00 0.00 179.25 180.04 1pd7 h ILE 11 N -0.05 0.73 -0.04 0.00 1.08 -0.93 -2.98 117.51 115.32 1pd7 h ILE 11 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1pd7 h ILE 11 Cb 0.58 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1pd7 h ILE 11 CO 0.02 0.00 0.06 0.77 -0.69 0.00 0.00 178.15 178.31 1pd7 h SER 12 N -0.08 0.00 0.39 1.72 4.64 -1.13 0.94 113.55 120.03 1pd7 h SER 12 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1pd7 h SER 12 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1pd7 h SER 12 CO -0.20 0.00 -0.19 0.22 -0.87 0.00 0.00 176.83 175.79 1pd7 h TYR 13 N 0.00 -0.48 -0.78 4.77 3.20 -1.62 -3.06 116.97 119.01 1pd7 h TYR 13 Ca 0.02 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1pd7 h TYR 13 Cb 0.14 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1pd7 h TYR 13 CO 0.00 -0.27 0.51 0.28 -1.64 0.00 0.00 178.16 177.04 1pd7 h VAL 14 N -1.12 1.10 -0.56 1.81 2.07 -1.31 -0.39 116.25 117.85 1pd7 h VAL 14 Ca -0.05 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1pd7 h VAL 14 Cb 0.43 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1pd7 h VAL 14 CO 0.09 0.17 0.35 -1.13 0.02 0.00 0.00 177.57 177.07 1pd7 h ASN 15 N 0.92 0.59 -0.48 0.57 -1.24 -0.99 0.77 115.58 115.72 1pd7 h ASN 15 Ca 0.32 -0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.23 1pd7 h ASN 15 Cb 0.10 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1pd7 h ASN 15 CO -0.10 0.42 -0.02 0.11 -1.29 0.00 0.00 177.43 176.55 1pd7 h LYS 16 N 0.70 0.91 -0.06 6.67 1.57 -1.17 -0.69 116.57 124.50 1pd7 h LYS 16 Ca 0.22 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1pd7 h LYS 16 Cb -0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1pd7 h LYS 16 CO -0.08 0.92 -0.23 0.82 -0.57 0.00 0.00 179.45 180.31 1pd7 h ILE 17 N 0.84 0.45 -0.50 1.86 2.04 -0.93 -1.17 117.51 120.09 1pd7 h ILE 17 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1pd7 h ILE 17 Cb 0.52 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1pd7 h ILE 17 CO 0.03 0.00 0.28 0.11 0.00 0.00 0.00 178.15 178.57 1pd7 h LYS 18 N -0.33 0.70 0.00 2.37 1.57 -0.68 -2.30 116.57 117.89 1pd7 h LYS 18 Ca 0.08 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1pd7 h LYS 18 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1pd7 h LYS 18 CO -0.25 0.53 -0.18 1.15 -0.57 0.00 0.00 179.45 180.14 1pd7 h THR 19 N 0.67 1.11 0.30 -0.16 2.02 -0.98 -3.15 112.91 112.72 1pd7 h THR 19 Ca 0.18 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1pd7 h THR 19 Cb 0.03 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1pd7 h THR 19 CO -0.03 0.17 -0.14 0.03 0.37 0.00 0.00 175.52 175.92 1pd7 h ARG 20 N 0.00 -0.39 -1.95 6.66 2.47 -0.97 -3.38 114.38 116.83 1pd7 h ARG 20 Ca -0.00 0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.58 1pd7 h ARG 20 Cb 0.31 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.66 1pd7 h ARG 20 CO 0.02 -0.26 -0.07 1.97 0.56 0.00 0.00 179.97 182.20 1pd7 n PHE 21 N -4.17 0.33 0.17 3.04 1.16 -0.89 -3.96 117.46 113.15 1pd7 n PHE 21 Ca -0.05 -1.40 0.03 0.00 -1.87 0.00 0.00 57.45 54.16 1pd7 n PHE 21 Cb 0.16 -1.07 0.31 0.00 -1.61 0.00 0.00 39.48 37.26 1pd7 n PHE 21 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1pd7 h LEU 22 N 3.82 0.00 -0.38 5.98 3.38 -1.74 -0.97 115.31 125.40 1pd7 h LEU 22 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pd7 h LEU 22 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pd7 h LEU 22 CO 0.26 0.44 -0.06 0.47 0.09 0.00 0.00 178.44 179.64 1pd7 n ASP 23 N -3.71 0.66 -3.12 -0.43 8.00 -1.25 -4.51 116.55 112.18 1pd7 n ASP 23 Ca -0.01 -0.94 -0.21 0.00 0.71 0.00 0.00 54.79 54.34 1pd7 n ASP 23 Cb 0.51 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pd7 n HIS 24 N -0.65 -0.92 0.91 1.24 8.25 -0.38 -4.96 115.22 118.71 1pd7 n HIS 24 Ca 0.18 -3.23 0.10 0.00 -0.26 0.00 0.00 57.72 54.50 1pd7 n HIS 24 Cb 0.26 0.01 0.49 0.00 1.12 0.00 0.00 29.99 31.87 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 1.51 0.26 0.26 -0.41 -0.04 -1.14 -1.50 135.00 133.94 1pd7 n PRO 25 Ca 0.19 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1pd7 n PRO 25 Cb 0.55 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.39 0.54 4.11 -1.93 -2.96 114.58 113.95 1pd7 h GLU 26 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1pd7 h GLU 26 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pd7 h GLU 26 CO 0.00 0.13 -0.15 0.82 0.07 0.00 0.00 179.01 179.88 1pd7 h ILE 27 N 0.00 1.28 -0.55 -1.06 1.08 -1.61 -2.57 117.51 114.07 1pd7 h ILE 27 Ca -0.00 -1.27 0.07 0.00 -0.39 0.00 0.00 64.86 63.27 1pd7 h ILE 27 Cb 0.46 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 1pd7 h ILE 27 CO 0.02 0.42 0.37 0.22 -0.69 0.00 0.00 178.15 178.49 1pd7 h TYR 28 N 0.60 0.47 0.43 1.37 3.20 -1.69 0.18 116.97 121.54 1pd7 h TYR 28 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1pd7 h TYR 28 Cb 0.69 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1pd7 h TYR 28 CO 0.05 0.25 -0.20 0.00 -1.64 0.00 0.00 178.16 176.62 1pd7 h ARG 29 N 0.47 -0.55 -0.57 1.82 -0.00 -1.58 -3.33 114.38 110.63 1pd7 h ARG 29 Ca 0.25 0.04 -0.07 0.00 -0.50 0.00 0.00 59.98 59.69 1pd7 h ARG 29 Cb 0.37 0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.44 1pd7 h ARG 29 CO -0.07 -0.25 0.07 0.77 0.00 0.00 0.00 179.97 180.48 1pd7 h SER 30 N -1.01 0.89 0.69 7.04 0.02 -0.94 -3.23 113.55 117.01 1pd7 h SER 30 Ca -0.06 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1pd7 h SER 30 Cb 0.55 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1pd7 h SER 30 CO 0.10 0.92 -0.49 0.15 -1.14 0.00 0.00 176.83 176.36 1pd7 h PHE 31 N 0.88 -1.32 0.00 3.45 3.57 -0.82 -3.15 116.94 119.54 1pd7 h PHE 31 Ca 0.18 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 1pd7 h PHE 31 Cb 0.43 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1pd7 h PHE 31 CO 0.03 -0.71 -0.74 -0.07 -2.23 0.00 0.00 178.31 174.59 1pd7 h LEU 32 N -1.13 0.00 -0.86 0.59 3.38 -1.67 -2.59 115.31 113.03 1pd7 h LEU 32 Ca -0.09 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.08 1pd7 h LEU 32 Cb 0.93 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 1pd7 h LEU 32 CO 0.05 0.74 0.34 -0.33 0.09 0.00 0.00 178.44 179.33 1pd7 h GLU 33 N 0.00 0.37 -0.17 1.13 5.08 -1.60 0.45 114.58 119.84 1pd7 h GLU 33 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1pd7 h GLU 33 Cb 1.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1pd7 h GLU 33 CO 0.10 0.24 0.00 0.82 -1.00 0.00 0.00 179.01 179.17 1pd7 h ILE 34 N 0.38 1.25 0.00 3.13 2.04 -1.42 -2.10 117.51 120.79 1pd7 h ILE 34 Ca 0.52 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1pd7 h ILE 34 Cb 0.95 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1pd7 h ILE 34 CO -0.52 0.25 -0.21 -0.07 0.00 0.00 0.00 178.15 177.61 1pd7 h LEU 35 N 0.05 0.00 -0.95 1.44 3.38 -1.20 -1.62 115.31 116.42 1pd7 h LEU 35 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1pd7 h LEU 35 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pd7 h LEU 35 CO 0.01 0.21 -0.39 0.45 0.09 0.00 0.00 178.44 178.81 1pd7 h HIS 36 N 0.00 0.00 0.00 1.13 3.86 0.01 -0.29 115.15 119.87 1pd7 h HIS 36 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1pd7 h HIS 36 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1pd7 h HIS 36 CO 0.00 0.39 -0.20 1.15 0.86 0.00 0.00 177.93 180.12 1pd7 h THR 37 N 0.00 0.89 0.28 2.45 2.02 -0.59 0.12 112.91 118.08 1pd7 h THR 37 Ca -0.00 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1pd7 h THR 37 Cb 0.90 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1pd7 h THR 37 CO 0.05 0.20 -0.13 0.22 0.37 0.00 0.00 175.52 176.23 1pd7 h TYR 38 N 0.00 -0.35 0.26 3.16 5.03 -1.34 -3.40 116.97 120.33 1pd7 h TYR 38 Ca -0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1pd7 h TYR 38 Cb 0.43 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1pd7 h TYR 38 CO 0.00 -0.11 -0.13 0.37 -1.32 0.00 0.00 178.16 176.98 1pd7 h GLN 39 N -1.05 -0.34 -0.60 1.82 -0.00 -0.68 -3.10 115.11 111.16 1pd7 h GLN 39 Ca -0.04 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.71 1pd7 h GLN 39 Cb 0.40 0.08 -0.06 0.00 0.00 0.00 0.00 27.48 27.89 1pd7 h GLN 39 CO 0.06 -0.00 0.27 -0.22 0.00 0.00 0.00 178.83 178.93 1pd7 h LYS 40 N -0.94 0.47 0.00 1.69 3.64 -1.04 -0.78 116.57 119.61 1pd7 h LYS 40 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1pd7 h LYS 40 Cb 0.49 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pd7 h LYS 40 CO 0.06 0.31 -0.03 0.93 -2.27 0.00 0.00 179.45 178.45 1pd7 h GLU 41 N 0.48 0.00 -0.01 1.90 4.39 -1.70 -2.82 114.58 116.82 1pd7 h GLU 41 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1pd7 h GLU 41 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1pd7 h GLU 41 CO -0.25 0.03 -0.09 0.94 -1.16 0.00 0.00 179.01 178.48 1pd7 n GLN 42 N -3.13 1.40 -0.66 2.33 7.27 -0.32 -0.18 117.38 124.10 1pd7 n GLN 42 Ca 0.01 -0.83 -0.10 0.00 0.07 0.00 0.00 57.00 56.15 1pd7 n GLN 42 Cb 0.34 -1.48 0.07 0.00 2.41 0.00 0.00 30.24 31.58 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pd7 n LEU 43 N -0.07 0.00 -4.57 1.69 4.77 -1.06 -4.90 117.00 112.84 1pd7 n LEU 43 Ca 0.17 -0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 55.25 1pd7 n LEU 43 Cb 0.36 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1pd7 n LEU 43 CO 0.20 -0.82 1.74 -1.38 -1.33 0.00 0.00 177.39 175.80 1pd7 s HIS 44 N -1.97 2.52 0.39 -1.77 -3.43 -1.26 -4.84 115.29 104.93 1pd7 s HIS 44 Ca 0.26 -0.96 -0.26 0.00 -0.80 0.00 0.00 55.06 53.30 1pd7 s HIS 44 Cb -0.01 -4.58 -0.09 0.00 -1.43 0.00 0.00 32.58 26.48 1pd7 s HIS 44 CO 0.18 -1.74 1.15 0.95 -2.00 0.00 0.00 174.74 173.28 1pd7 s THR 45 N 5.90 3.25 -0.13 -5.38 -4.23 -1.26 -4.96 115.64 108.82 1pd7 s THR 45 Ca 0.56 1.06 0.12 0.00 -1.18 0.00 0.00 61.69 62.25 1pd7 s THR 45 Cb 0.02 -3.60 -0.17 0.00 1.34 0.00 0.00 72.50 70.09 1pd7 s THR 45 CO 0.04 0.11 0.05 1.17 -0.54 0.00 0.00 174.62 175.45 1pd7 n LYS 46 N 0.18 1.74 0.00 3.99 4.81 -1.26 -4.85 118.16 122.77 1pd7 n LYS 46 Ca 0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1pd7 n LYS 46 Cb 0.47 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pd7 n GLY 47 N 2.15 -0.18 3.76 3.14 0.00 -1.26 -5.06 105.19 107.74 1pd7 n GLY 47 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.28 2.33 0.61 1.61 1.70 -1.26 -5.01 118.95 118.65 1pd7 s ARG 48 Ca 0.00 1.30 -0.16 0.00 -0.47 0.00 0.00 55.73 56.40 1pd7 s ARG 48 Cb 0.00 -1.90 -0.03 0.00 -0.57 0.00 0.00 34.95 32.46 1pd7 s ARG 48 CO 0.00 -1.60 1.09 -1.25 -1.08 0.00 0.00 175.30 172.46 1pd7 s PRO 49 N -4.58 3.12 0.68 3.89 0.04 -1.26 -4.75 135.00 132.14 1pd7 s PRO 49 Ca 0.64 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1pd7 s PRO 49 Cb -0.19 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1pd7 s PRO 49 CO 0.51 -0.99 1.07 -0.59 0.04 0.00 0.00 177.00 177.04 1pd7 s PHE 50 N -2.31 3.39 0.00 0.56 -0.12 -1.26 -4.99 117.98 113.24 1pd7 s PHE 50 Ca 0.66 1.18 0.00 0.00 -0.05 0.00 0.00 56.93 58.72 1pd7 s PHE 50 Cb -0.19 -2.92 0.00 0.00 -0.63 0.00 0.00 43.02 39.28 1pd7 s PHE 50 CO 0.37 -1.04 0.00 0.54 -0.05 0.00 0.00 175.22 175.04 1pd7 n ARG 51 N -2.95 0.00 -1.01 1.99 1.74 0.75 -5.00 116.66 112.17 1pd7 n ARG 51 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1pd7 n ARG 51 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 0.19 -1.96 0.00 -0.13 0.00 -1.25 -4.25 105.19 97.79 1pd7 n GLY 52 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.13 3.03 -3.71 1.61 0.00 -1.26 -4.96 117.12 111.96 1pd7 n MET 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 1pd7 n MET 53 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1pd7 n MET 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pd7 s SER 54 N -1.00 6.51 0.64 3.17 0.15 -1.26 -4.98 113.70 116.93 1pd7 s SER 54 Ca 0.00 0.59 0.35 0.00 0.70 0.00 0.00 55.95 57.58 1pd7 s SER 54 Cb 0.00 -2.09 1.91 0.00 -1.71 0.00 0.00 66.02 64.12 1pd7 s SER 54 CO 0.00 0.15 2.13 1.05 1.20 0.00 0.00 173.24 177.77 1pd7 h GLU 55 N 3.41 0.00 -0.52 5.44 9.09 -1.99 -2.40 114.58 127.60 1pd7 h GLU 55 Ca -0.48 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.87 1pd7 h GLU 55 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 1pd7 h GLU 55 CO 0.70 0.00 0.06 1.05 0.05 0.00 0.00 179.01 180.86 1pd7 h GLU 56 N 0.00 0.84 0.09 1.06 4.11 -1.99 -2.26 114.58 116.44 1pd7 h GLU 56 Ca 0.03 -0.20 -0.29 0.00 0.07 0.00 0.00 59.36 58.96 1pd7 h GLU 56 Cb 0.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 56 CO -0.00 0.80 -1.46 1.05 0.07 0.00 0.00 179.01 179.47 1pd7 h GLU 57 N 0.79 0.20 -0.05 1.06 4.11 -1.85 -0.80 114.58 118.04 1pd7 h GLU 57 Ca 0.16 -0.34 -0.10 0.00 0.07 0.00 0.00 59.36 59.15 1pd7 h GLU 57 Cb 0.39 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1pd7 h GLU 57 CO 0.01 1.05 -0.44 -0.24 0.07 0.00 0.00 179.01 179.47 1pd7 h VAL 58 N 0.05 1.32 0.78 -1.06 3.04 -1.60 0.26 116.25 119.05 1pd7 h VAL 58 Ca -0.21 -1.55 -0.04 0.00 -1.01 0.00 0.00 66.70 63.89 1pd7 h VAL 58 Cb 1.98 1.77 0.01 0.00 -2.01 0.00 0.00 31.29 33.04 1pd7 h VAL 58 CO 0.15 0.45 -0.37 0.15 -1.01 0.00 0.00 177.57 176.94 1pd7 h PHE 59 N 0.10 -0.97 -0.68 3.17 3.04 -1.45 -3.30 116.94 116.85 1pd7 h PHE 59 Ca 0.01 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.08 1pd7 h PHE 59 Cb 0.82 0.32 -0.11 0.00 2.56 0.00 0.00 35.95 39.54 1pd7 h PHE 59 CO 0.01 -0.59 0.04 0.00 -2.02 0.00 0.00 178.31 175.75 1pd7 h THR 60 N -1.17 0.46 0.00 4.41 1.03 0.03 -1.49 112.91 116.17 1pd7 h THR 60 Ca -0.11 -0.05 -0.16 0.00 -0.01 0.00 0.00 66.41 66.08 1pd7 h THR 60 Cb 0.82 0.30 -0.02 0.00 -1.07 0.00 0.00 68.15 68.17 1pd7 h THR 60 CO 0.18 0.03 -0.78 -0.33 -0.01 0.00 0.00 175.52 174.61 1pd7 h GLU 61 N 0.15 0.00 0.00 0.00 5.08 -1.16 -2.90 114.58 115.74 1pd7 h GLU 61 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1pd7 h GLU 61 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1pd7 h GLU 61 CO -0.56 0.78 -0.36 0.28 -1.00 0.00 0.00 179.01 178.14 1pd7 h VAL 62 N 0.00 0.84 -0.54 3.13 2.07 -1.56 -3.29 116.25 116.90 1pd7 h VAL 62 Ca -0.01 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1pd7 h VAL 62 Cb 1.50 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 1pd7 h VAL 62 CO 0.10 0.36 0.34 0.00 0.02 0.00 0.00 177.57 178.39 1pd7 h ALA 63 N 1.64 1.58 0.00 1.67 0.00 -1.06 -0.89 119.26 122.19 1pd7 h ALA 63 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1pd7 h ALA 63 Cb 0.91 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1pd7 h ALA 63 CO 0.05 0.38 -0.47 -0.91 0.00 0.00 0.00 179.25 178.29 1pd7 h ASN 64 N 0.74 0.00 -0.27 0.00 2.35 -1.67 -2.86 115.58 113.87 1pd7 h ASN 64 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1pd7 h ASN 64 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1pd7 h ASN 64 CO -0.04 0.47 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.89 1pd7 h LEU 65 N 0.00 0.78 -2.03 1.61 4.07 -1.35 -3.14 115.31 115.25 1pd7 h LEU 65 Ca -0.00 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1pd7 h LEU 65 Cb 0.93 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1pd7 h LEU 65 CO 0.06 1.00 0.00 0.49 -1.08 0.00 0.00 178.44 178.91 1pd7 n PHE 66 N -4.10 0.49 -2.04 1.13 3.01 -1.10 -4.99 117.46 109.86 1pd7 n PHE 66 Ca -0.00 -0.24 -0.42 0.00 1.01 0.00 0.00 57.45 57.79 1pd7 n PHE 66 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 1pd7 n PHE 66 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1pd7 s ARG 67 N -1.51 4.22 0.00 -1.08 1.04 -1.09 -1.57 118.95 118.95 1pd7 s ARG 67 Ca 0.38 2.17 0.00 0.00 -1.04 0.00 0.00 55.73 57.24 1pd7 s ARG 67 Cb 0.21 -3.70 0.00 0.00 -2.04 0.00 0.00 34.95 29.42 1pd7 s ARG 67 CO 0.30 -0.72 0.00 0.41 -0.04 0.00 0.00 175.30 175.25 1pd7 n GLY 68 N 3.92 3.50 3.67 3.88 0.00 -1.26 -5.06 105.19 113.85 1pd7 n GLY 68 Ca 0.15 -1.03 -0.38 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 4.17 -0.01 1.61 1.11 -0.61 -4.97 119.66 120.97 1pd7 s GLN 69 Ca 0.00 0.15 -0.10 0.00 0.01 0.00 0.00 55.36 55.42 1pd7 s GLN 69 Cb 0.00 -3.53 -0.31 0.00 -1.01 0.00 0.00 33.01 28.16 1pd7 s GLN 69 CO 0.00 -0.00 0.82 0.93 0.01 0.00 0.00 175.29 177.05 1pd7 h GLU 70 N 7.33 0.38 0.00 2.91 3.07 -1.97 -3.44 114.58 122.86 1pd7 h GLU 70 Ca -0.37 -0.66 0.00 0.00 -0.50 0.00 0.00 59.36 57.84 1pd7 h GLU 70 Cb 1.16 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1pd7 h GLU 70 CO 0.71 1.29 0.00 -0.44 -1.40 0.00 0.00 179.01 179.17 1pd7 h ASP 71 N 0.10 0.00 -0.01 1.42 3.32 -1.96 -0.10 116.42 119.19 1pd7 h ASP 71 Ca -0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1pd7 h ASP 71 Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.64 1pd7 h ASP 71 CO 0.20 0.00 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.60 1pd7 h LEU 72 N 0.00 0.06 -0.63 1.55 3.38 -1.97 -3.08 115.31 114.61 1pd7 h LEU 72 Ca 0.00 -0.66 -0.13 0.00 0.09 0.00 0.00 57.88 57.18 1pd7 h LEU 72 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1pd7 h LEU 72 CO 0.00 0.71 -0.63 -0.07 0.09 0.00 0.00 178.44 178.54 1pd7 h LEU 73 N -0.58 0.00 0.14 1.67 3.38 -1.38 0.05 115.31 118.59 1pd7 h LEU 73 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pd7 h LEU 73 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1pd7 h LEU 73 CO 0.01 0.63 -0.18 0.28 0.09 0.00 0.00 178.44 179.27 1pd7 h SER 74 N 0.00 -0.49 1.04 -0.43 0.02 -1.33 -2.63 113.55 109.74 1pd7 h SER 74 Ca -0.01 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1pd7 h SER 74 Cb 1.18 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 1pd7 h SER 74 CO 0.08 -0.26 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.04 1pd7 h GLU 75 N -0.37 0.00 0.00 3.45 4.39 -1.41 -3.10 114.58 117.54 1pd7 h GLU 75 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1pd7 h GLU 75 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1pd7 h GLU 75 CO -0.07 0.14 -0.05 0.35 -1.16 0.00 0.00 179.01 178.22 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.60 -1.95 116.94 122.29 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 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 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 0.24 0.00 1.46 2.40 0.00 -1.50 -3.26 103.07 102.41 1pd7 h GLY 77 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1pd7 h GLY 77 CO 0.01 0.00 0.09 0.06 0.00 0.00 0.00 176.54 176.69 1pd7 h GLN 78 N 0.00 0.69 0.00 4.80 3.07 -1.57 -3.21 115.11 118.89 1pd7 h GLN 78 Ca 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.58 1pd7 h GLN 78 Cb 0.12 -0.11 -0.05 0.00 0.08 0.00 0.00 27.48 27.52 1pd7 h GLN 78 CO 0.00 0.64 -0.41 1.19 0.09 0.00 0.00 178.83 180.34 1pd7 n PHE 79 N -4.29 0.00 0.00 0.06 3.72 -1.24 -4.88 117.46 110.83 1pd7 n PHE 79 Ca 0.03 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 1pd7 n PHE 79 Cb 0.22 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1pd7 n PHE 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pd7 n LEU 80 N -0.49 0.30 -4.79 4.37 4.77 -1.21 -4.92 117.00 115.04 1pd7 n LEU 80 Ca 0.07 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 1pd7 n LEU 80 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1pd7 n LEU 80 CO -0.00 0.00 0.74 -2.16 -1.33 0.00 0.00 177.39 174.64 1pd7 s PRO 81 N -0.11 3.37 -0.05 3.23 0.04 -1.26 -4.96 135.00 135.26 1pd7 s PRO 81 Ca 0.00 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1pd7 s PRO 81 Cb 0.00 -2.03 -0.26 0.00 0.04 0.00 0.00 34.50 32.25 1pd7 s PRO 81 CO 0.00 -0.80 0.64 0.93 0.04 0.00 0.00 177.00 177.81 1pd7 h GLU 82 N 0.92 0.21 0.00 4.56 5.08 -1.92 -3.46 114.58 119.97 1pd7 h GLU 82 Ca -0.49 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 1pd7 h GLU 82 Cb 1.24 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1pd7 h GLU 82 CO 0.57 1.02 0.00 0.00 -1.00 0.00 0.00 179.01 179.60 1pd7 n ALA 83 N -2.77 1.71 0.00 3.43 0.00 -1.26 -5.05 120.51 116.57 1pd7 n ALA 83 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1pd7 n ALA 83 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.46 0.00 0.00 0.00 2.85 -1.26 -5.27 118.16 111.02 1pd7 n LYS 84 Ca 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.41 1pd7 n LYS 84 Cb 0.00 -0.22 0.70 0.00 -0.65 0.00 0.00 35.03 34.86 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89