#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgn s ASP 3 N 0.00 -1.29 -0.35 0.00 -4.77 -1.26 -5.01 116.67 103.99 1dgn s ASP 3 Ca 0.00 -1.15 0.14 0.00 -3.30 0.00 0.00 52.55 48.23 1dgn s ASP 3 Cb 0.00 1.67 0.42 0.00 -1.09 0.00 0.00 42.92 43.93 1dgn s ASP 3 CO 0.00 -0.09 1.35 0.00 0.70 0.00 0.00 175.17 177.13 1dgn n GLN 4 N 3.49 1.33 0.28 2.11 1.13 -1.26 -4.97 117.38 119.49 1dgn n GLN 4 Ca 0.14 -2.00 -0.18 0.00 -1.94 0.00 0.00 57.00 53.02 1dgn n GLN 4 Cb 0.58 -0.22 -0.10 0.00 0.11 0.00 0.00 30.24 30.61 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1dgn h LEU 5 N 1.82 -1.36 -0.33 1.08 6.46 -2.00 -2.94 115.31 118.04 1dgn h LEU 5 Ca -0.30 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1dgn h LEU 5 Cb 1.28 0.45 -0.08 0.00 -0.73 0.00 0.00 40.66 41.58 1dgn h LEU 5 CO -0.01 -0.65 -0.40 -0.07 -0.62 0.00 0.00 178.44 176.69 1dgn h LEU 6 N -0.97 -1.31 -0.07 2.25 -0.00 -1.94 0.79 115.31 114.05 1dgn h LEU 6 Ca -0.05 0.20 0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1dgn h LEU 6 Cb 0.85 0.57 -0.01 0.00 -0.00 0.00 0.00 40.66 42.08 1dgn h LEU 6 CO -0.08 -0.37 -0.04 -1.14 -0.00 0.00 0.00 178.44 176.81 1dgn n ARG 7 N -5.42 -0.03 -0.28 1.13 0.00 -1.13 0.26 116.66 111.18 1dgn n ARG 7 Ca -0.01 0.94 -0.01 0.00 -0.00 0.00 0.00 57.85 58.77 1dgn n ARG 7 Cb 0.35 -1.40 0.12 0.00 0.00 0.00 0.00 32.46 31.52 1dgn n ARG 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1dgn h LYS 8 N 0.00 0.86 -0.92 -0.14 1.79 -1.34 -0.59 116.57 116.23 1dgn h LYS 8 Ca 0.01 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 1dgn h LYS 8 Cb 0.03 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.42 1dgn h LYS 8 CO -0.07 0.57 0.13 1.63 -1.08 0.00 0.00 179.45 180.63 1dgn n LYS 9 N -4.66 2.03 0.09 3.15 4.76 0.37 -4.09 118.16 119.80 1dgn n LYS 9 Ca 0.10 -1.22 -0.07 0.00 -2.87 0.00 0.00 58.31 54.25 1dgn n LYS 9 Cb 0.16 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1dgn n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1dgn h ARG 10 N 1.00 0.12 0.00 1.97 2.43 0.52 -2.95 114.38 117.47 1dgn h ARG 10 Ca 0.13 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1dgn h ARG 10 Cb 1.42 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 1dgn h ARG 10 CO 0.32 0.91 -0.67 0.00 -1.51 0.00 0.00 179.97 179.03 1dgn h ARG 11 N 0.07 0.00 0.00 0.20 3.08 -1.78 -2.98 114.38 112.97 1dgn h ARG 11 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dgn h ARG 11 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1dgn h ARG 11 CO 0.13 0.67 0.00 -0.89 -1.07 0.00 0.00 179.97 178.80 1dgn n ILE 12 N -3.45 0.00 -0.27 2.04 5.41 -1.21 -2.42 119.36 119.46 1dgn n ILE 12 Ca 0.00 0.69 0.08 0.00 1.00 0.00 0.00 62.75 64.52 1dgn n ILE 12 Cb 0.73 -1.64 0.21 0.00 -0.71 0.00 0.00 39.64 38.22 1dgn n ILE 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1dgn h PHE 13 N 0.00 0.21 0.09 1.39 3.57 -1.69 -1.76 116.94 118.75 1dgn h PHE 13 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1dgn h PHE 13 Cb 0.00 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1dgn h PHE 13 CO 0.05 -0.16 -0.04 0.97 -2.23 0.00 0.00 178.31 176.89 1dgn h ILE 14 N 0.21 0.98 -0.95 1.41 2.10 -1.68 -0.26 117.51 119.32 1dgn h ILE 14 Ca 0.45 -0.25 -0.53 0.00 1.08 0.00 0.00 64.86 65.61 1dgn h ILE 14 Cb 0.83 1.15 -0.15 0.00 -1.09 0.00 0.00 36.82 37.56 1dgn h ILE 14 CO -0.60 0.06 0.93 1.41 -1.08 0.00 0.00 178.15 178.87 1dgn n HIS 15 N -5.09 1.71 0.03 2.19 8.25 -0.68 -4.17 115.22 117.47 1dgn n HIS 15 Ca -0.08 -2.15 0.00 0.00 -0.26 0.00 0.00 57.72 55.23 1dgn n HIS 15 Cb 0.12 -1.55 0.00 0.00 1.12 0.00 0.00 29.99 29.68 1dgn n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1dgn n SER 16 N 1.33 -0.62 -4.65 0.41 7.64 -1.11 -4.89 113.62 111.72 1dgn n SER 16 Ca 0.53 0.22 -0.63 0.00 1.01 0.00 0.00 58.87 60.00 1dgn n SER 16 Cb 0.50 0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 64.43 1dgn n SER 16 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1dgn n VAL 17 N -2.53 0.04 -2.79 0.44 3.14 -0.11 -4.89 118.33 111.62 1dgn n VAL 17 Ca 0.00 -0.01 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 1dgn n VAL 17 Cb 0.00 -0.46 -0.06 0.00 -1.06 0.00 0.00 33.84 32.26 1dgn n VAL 17 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1dgn s GLY 18 N 1.93 2.81 0.63 7.55 0.00 -1.26 -4.90 107.32 114.07 1dgn s GLY 18 Ca 0.98 0.51 0.23 0.00 0.00 0.00 0.00 44.72 46.44 1dgn s GLY 18 CO 0.69 0.96 1.57 0.00 0.00 0.00 0.00 173.10 176.32 1dgn h ALA 19 N 3.22 2.12 0.19 3.20 0.00 -1.99 -1.66 119.26 124.35 1dgn h ALA 19 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1dgn h ALA 19 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dgn h ALA 19 CO 0.65 -0.94 -0.09 0.78 0.00 0.00 0.00 179.25 179.65 1dgn h GLY 20 N 0.00 -0.26 -0.55 0.00 0.00 -2.00 -3.29 103.07 96.96 1dgn h GLY 20 Ca 0.18 0.10 0.33 0.00 0.00 0.00 0.00 47.33 47.94 1dgn h GLY 20 CO -0.00 -0.10 0.68 -0.84 0.00 0.00 0.00 176.54 176.28 1dgn h THR 21 N -0.80 0.33 -0.25 4.70 2.02 -1.68 0.82 112.91 118.04 1dgn h THR 21 Ca -0.03 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1dgn h THR 21 Cb 0.19 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.56 1dgn h THR 21 CO 0.04 0.05 -0.10 0.40 0.37 0.00 0.00 175.52 176.29 1dgn h ILE 22 N 0.29 0.67 -0.95 3.11 2.04 -1.59 0.73 117.51 121.82 1dgn h ILE 22 Ca 0.71 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.60 1dgn h ILE 22 Cb 1.85 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1dgn h ILE 22 CO -0.46 0.00 0.62 -1.13 0.00 0.00 0.00 178.15 177.18 1dgn h ASN 23 N -0.05 1.04 1.08 1.72 -0.00 -0.90 -0.20 115.58 118.27 1dgn h ASN 23 Ca 0.13 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.31 1dgn h ASN 23 Cb 0.25 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.31 1dgn h ASN 23 CO -0.29 0.72 -0.51 0.00 -0.00 0.00 0.00 177.43 177.35 1dgn h ALA 24 N 1.38 0.80 0.16 1.57 0.00 -1.13 -2.92 119.26 119.12 1dgn h ALA 24 Ca 0.37 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dgn h ALA 24 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1dgn h ALA 24 CO -0.11 0.64 -0.08 1.25 0.00 0.00 0.00 179.25 180.95 1dgn h LEU 25 N 0.00 -0.19 -1.80 0.00 7.12 0.13 -2.99 115.31 117.58 1dgn h LEU 25 Ca -0.01 -0.16 0.07 0.00 0.13 0.00 0.00 57.88 57.92 1dgn h LEU 25 Cb 1.19 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 1dgn h LEU 25 CO 0.07 0.35 0.28 0.17 -0.13 0.00 0.00 178.44 179.18 1dgn h LEU 26 N -1.02 0.21 -0.50 2.25 8.10 -1.19 -1.08 115.31 122.08 1dgn h LEU 26 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 1dgn h LEU 26 Cb 0.33 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.49 1dgn h LEU 26 CO 0.04 0.13 0.18 -0.78 -4.11 0.00 0.00 178.44 173.90 1dgn h ASP 27 N 0.24 0.72 -0.62 0.17 3.58 -1.60 -2.86 116.42 116.04 1dgn h ASP 27 Ca 0.19 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1dgn h ASP 27 Cb 0.43 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1dgn h ASP 27 CO -0.04 0.71 0.23 0.00 -2.88 0.00 0.00 179.24 177.27 1dgn h LEU 29 N 0.88 -0.10 -0.71 0.00 3.38 -1.21 -0.31 115.31 117.24 1dgn h LEU 29 Ca 0.21 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.37 1dgn h LEU 29 Cb 0.24 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1dgn h LEU 29 CO -0.01 -0.03 0.39 -0.07 0.09 0.00 0.00 178.44 178.80 1dgn h LEU 30 N 0.19 0.55 -0.81 1.67 3.38 -1.33 -1.02 115.31 117.94 1dgn h LEU 30 Ca 0.29 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.48 1dgn h LEU 30 Cb 0.44 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1dgn h LEU 30 CO -0.42 0.34 0.31 -0.08 0.09 0.00 0.00 178.44 178.68 1dgn h GLU 31 N 0.69 0.38 0.00 1.13 4.22 -0.95 0.67 114.58 120.72 1dgn h GLU 31 Ca 0.33 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1dgn h GLU 31 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1dgn h GLU 31 CO -0.22 0.25 0.00 -0.44 -2.18 0.00 0.00 179.01 176.42 1dgn h ASP 32 N 0.39 0.00 -1.71 1.04 5.19 -1.03 -3.47 116.42 116.83 1dgn h ASP 32 Ca 0.47 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.62 1dgn h ASP 32 Cb 0.82 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1dgn h ASP 32 CO -0.48 0.00 -0.32 -0.62 -3.12 0.00 0.00 179.24 174.70 1dgn n GLU 33 N -3.04 -1.03 -0.09 3.56 1.02 0.23 -4.92 120.64 116.38 1dgn n GLU 33 Ca 0.03 0.67 -0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1dgn n GLU 33 Cb 0.45 -4.88 0.01 0.00 -0.02 0.00 0.00 31.44 26.99 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1dgn h VAL 34 N 0.00 1.28 -2.81 2.62 3.04 -1.79 -3.45 116.25 115.13 1dgn h VAL 34 Ca -0.31 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 63.80 1dgn h VAL 34 Cb 1.18 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1dgn h VAL 34 CO 0.37 0.52 0.00 2.30 -1.01 0.00 0.00 177.57 179.75 1dgn n ILE 35 N -4.04 0.00 -4.08 3.17 -5.35 -1.26 -5.00 119.36 102.79 1dgn n ILE 35 Ca -0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 1dgn n ILE 35 Cb 0.55 -1.56 -0.10 0.00 -1.74 0.00 0.00 39.64 36.79 1dgn n ILE 35 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1dgn s SER 36 N -1.00 0.57 0.59 7.28 0.15 -1.26 -5.00 113.70 115.03 1dgn s SER 36 Ca 0.00 -0.85 0.30 0.00 0.70 0.00 0.00 55.95 56.10 1dgn s SER 36 Cb 0.00 0.15 1.26 0.00 -1.71 0.00 0.00 66.02 65.72 1dgn s SER 36 CO 0.00 -0.48 1.61 -0.61 1.20 0.00 0.00 173.24 174.96 1dgn h GLN 37 N 3.56 0.00 0.12 5.44 5.75 -2.00 0.40 115.11 128.38 1dgn h GLN 37 Ca -0.34 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1dgn h GLN 37 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1dgn h GLN 37 CO 0.58 0.00 -0.06 0.93 -2.65 0.00 0.00 178.83 177.64 1dgn h GLU 38 N 0.00 -0.15 -0.08 1.69 5.08 -2.00 -2.78 114.58 116.34 1dgn h GLU 38 Ca 0.40 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1dgn h GLU 38 Cb 2.17 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.46 1dgn h GLU 38 CO -0.00 0.29 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.83 1dgn h ASP 39 N -0.67 0.16 -1.16 1.42 5.19 -0.76 -2.80 116.42 117.81 1dgn h ASP 39 Ca -0.02 -0.38 0.33 0.00 -0.62 0.00 0.00 57.03 56.34 1dgn h ASP 39 Cb 0.51 -0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.89 1dgn h ASP 39 CO 0.03 0.51 0.78 -0.03 -3.12 0.00 0.00 179.24 177.41 1dgn h MET 40 N -0.18 0.19 -0.12 3.56 1.85 -0.81 0.81 114.93 120.22 1dgn h MET 40 Ca 0.02 -0.01 -0.18 0.00 -0.61 0.00 0.00 59.70 58.92 1dgn h MET 40 Cb 0.44 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.42 1dgn h MET 40 CO 0.01 0.13 -0.67 -0.91 -0.40 0.00 0.00 176.91 175.06 1dgn h ASN 41 N 0.20 0.59 -0.24 1.39 -0.26 -1.24 -2.59 115.58 113.43 1dgn h ASN 41 Ca 0.63 -0.36 0.06 0.00 -0.56 0.00 0.00 56.30 56.07 1dgn h ASN 41 Cb 1.99 -0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 39.01 1dgn h ASN 41 CO -0.20 1.10 -0.22 0.50 -1.06 0.00 0.00 177.43 177.54 1dgn h LYS 42 N 0.36 -0.21 -0.18 0.81 3.11 0.86 -0.42 116.57 120.91 1dgn h LYS 42 Ca -0.02 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1dgn h LYS 42 Cb 1.24 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.52 1dgn h LYS 42 CO 0.12 -0.14 -0.19 0.28 -2.81 0.00 0.00 179.45 176.71 1dgn h VAL 43 N -0.22 1.34 -0.76 2.00 2.07 -1.58 -3.05 116.25 116.06 1dgn h VAL 43 Ca 0.14 -1.36 0.19 0.00 0.82 0.00 0.00 66.70 66.49 1dgn h VAL 43 Cb 0.43 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1dgn h VAL 43 CO -0.37 0.41 0.53 -0.09 0.02 0.00 0.00 177.57 178.06 1dgn h ARG 44 N 0.10 0.15 -0.60 1.57 9.65 -1.12 0.18 114.38 124.31 1dgn h ARG 44 Ca 0.03 -0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.07 1dgn h ARG 44 Cb 0.73 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 1dgn h ARG 44 CO 0.05 0.10 0.58 0.22 2.80 0.00 0.00 179.97 183.72 1dgn h ASP 45 N 0.16 0.00 -5.53 -3.80 1.82 -0.96 -3.47 116.42 104.65 1dgn h ASP 45 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1dgn h ASP 45 Cb 1.22 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.17 1dgn h ASP 45 CO -0.06 0.00 -0.95 -0.62 -1.61 0.00 0.00 179.24 176.00 1dgn n GLU 46 N -3.78 -3.04 0.00 0.28 1.02 0.62 -4.98 120.64 110.75 1dgn n GLU 46 Ca 0.12 2.44 0.00 0.00 -0.02 0.00 0.00 57.16 59.70 1dgn n GLU 46 Cb 0.81 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 1dgn n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dgn n ASN 47 N 1.88 0.00 0.00 1.62 3.02 -1.26 -5.08 115.26 115.43 1dgn n ASN 47 Ca -0.21 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1dgn n ASN 47 Cb 0.36 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1dgn n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1dgn n ASP 48 N -1.77 4.26 -4.13 6.41 -0.08 -1.26 -5.06 116.55 114.91 1dgn n ASP 48 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 1dgn n ASP 48 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1dgn n ASP 48 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1dgn n THR 49 N 0.00 0.12 -0.32 5.18 -1.04 -1.26 -4.30 114.28 112.65 1dgn n THR 49 Ca 0.00 -0.44 0.17 0.00 -2.04 0.00 0.00 64.05 61.74 1dgn n THR 49 Cb 0.00 -0.15 0.37 0.00 -1.82 0.00 0.00 70.33 68.73 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dgn h VAL 50 N -0.93 0.42 -1.27 12.58 2.07 -1.97 0.34 116.25 127.48 1dgn h VAL 50 Ca -0.44 -0.14 0.38 0.00 0.82 0.00 0.00 66.70 67.32 1dgn h VAL 50 Cb 1.32 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 1dgn h VAL 50 CO 0.28 0.07 0.86 0.24 0.02 0.00 0.00 177.57 179.05 1dgn h MET 51 N 0.40 0.14 0.00 1.57 2.86 -1.86 0.41 114.93 118.45 1dgn h MET 51 Ca 0.63 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 58.16 1dgn h MET 51 Cb 1.28 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 1dgn h MET 51 CO -0.56 0.10 -0.58 -0.44 1.06 0.00 0.00 176.91 176.49 1dgn h ASP 52 N 0.15 0.00 0.05 1.22 5.19 -0.59 -3.06 116.42 119.38 1dgn h ASP 52 Ca 0.70 -0.71 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1dgn h ASP 52 Cb 2.31 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.81 1dgn h ASP 52 CO -0.23 1.19 -0.01 0.11 -3.12 0.00 0.00 179.24 177.17 1dgn h LYS 53 N -1.00 0.00 0.00 3.56 1.57 -0.95 -2.93 116.57 116.81 1dgn h LYS 53 Ca -0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1dgn h LYS 53 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1dgn h LYS 53 CO -0.09 0.01 -0.13 0.00 -0.57 0.00 0.00 179.45 178.67 1dgn h ALA 54 N 1.99 0.02 -1.00 3.86 0.00 -0.37 -3.00 119.26 120.76 1dgn h ALA 54 Ca -0.00 -0.32 0.32 0.00 0.00 0.00 0.00 54.91 54.91 1dgn h ALA 54 Cb 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 1dgn h ALA 54 CO 0.00 0.09 0.55 -0.09 0.00 0.00 0.00 179.25 179.80 1dgn h ARG 55 N -1.00 0.29 -0.03 0.00 2.43 -1.41 0.23 114.38 114.90 1dgn h ARG 55 Ca -0.02 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1dgn h ARG 55 Cb 0.53 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1dgn h ARG 55 CO -0.01 0.19 -0.82 -0.39 -1.51 0.00 0.00 179.97 177.43 1dgn h VAL 56 N 0.30 1.33 0.06 0.20 -1.51 -1.66 -2.60 116.25 112.39 1dgn h VAL 56 Ca 0.73 -2.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1dgn h VAL 56 Cb 1.67 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 33.22 1dgn h VAL 56 CO -0.62 0.64 -0.03 0.25 -1.23 0.00 0.00 177.57 176.59 1dgn h LEU 57 N 0.22 -0.07 -1.24 4.19 5.85 -0.55 0.70 115.31 124.41 1dgn h LEU 57 Ca -0.10 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1dgn h LEU 57 Cb 1.49 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1dgn h LEU 57 CO 0.16 0.09 0.19 -0.29 -0.34 0.00 0.00 178.44 178.26 1dgn h ILE 58 N -0.24 1.19 0.42 4.05 2.10 -0.82 -2.90 117.51 121.32 1dgn h ILE 58 Ca -0.01 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.32 1dgn h ILE 58 Cb 0.20 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 1dgn h ILE 58 CO 0.01 0.23 -0.20 -0.78 -1.08 0.00 0.00 178.15 176.33 1dgn h ASP 59 N 0.71 -0.48 -0.99 2.19 1.82 -1.28 -3.10 116.42 115.29 1dgn h ASP 59 Ca 0.17 -0.01 0.35 0.00 -0.39 0.00 0.00 57.03 57.15 1dgn h ASP 59 Cb 0.15 0.12 -0.17 0.00 0.68 0.00 0.00 39.33 40.12 1dgn h ASP 59 CO -0.02 -0.05 0.42 -0.07 -1.61 0.00 0.00 179.24 177.91 1dgn h LEU 60 N -1.13 0.18 0.15 2.28 3.38 -0.86 -0.60 115.31 118.70 1dgn h LEU 60 Ca -0.06 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1dgn h LEU 60 Cb 0.46 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1dgn h LEU 60 CO 0.10 -0.33 -0.07 0.58 0.09 0.00 0.00 178.44 178.80 1dgn h VAL 61 N 0.09 0.00 -1.26 1.22 2.07 -1.56 -2.90 116.25 113.91 1dgn h VAL 61 Ca 0.75 -0.00 0.40 0.00 0.82 0.00 0.00 66.70 68.66 1dgn h VAL 61 Cb 1.83 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.48 1dgn h VAL 61 CO -0.75 0.00 0.82 0.74 0.02 0.00 0.00 177.57 178.40 1dgn h THR 62 N -0.20 0.22 -0.97 2.57 2.02 -1.20 0.52 112.91 115.88 1dgn h THR 62 Ca -0.02 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.24 1dgn h THR 62 Cb 0.15 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 66.54 1dgn h THR 62 CO 0.03 0.03 0.61 1.23 0.37 0.00 0.00 175.52 177.79 1dgn h GLY 63 N 0.15 1.51 -1.78 2.16 0.00 -0.94 -0.03 103.07 104.13 1dgn h GLY 63 Ca 0.76 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1dgn h GLY 63 CO -0.37 0.13 0.00 0.28 0.00 0.00 0.00 176.54 176.59 1dgn n LYS 64 N -4.60 0.80 -0.15 4.80 4.76 0.18 -4.94 118.16 119.00 1dgn n LYS 64 Ca 0.18 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.64 1dgn n LYS 64 Cb 0.39 -1.16 -0.01 0.00 -1.84 0.00 0.00 35.03 32.41 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgn n GLY 65 N 0.49 -1.84 0.02 0.72 0.00 -0.02 -4.27 105.19 100.28 1dgn n GLY 65 Ca 0.00 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 44.65 1dgn n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dgn n PRO 66 N -2.34 0.03 0.25 1.61 -0.04 -1.26 -3.07 135.00 130.18 1dgn n PRO 66 Ca -0.00 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1dgn n PRO 66 Cb 0.07 -1.55 0.62 0.00 -0.04 0.00 0.00 33.50 32.60 1dgn n PRO 66 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1dgn h LYS 67 N 0.00 0.00 0.18 0.54 3.11 -1.94 -2.46 116.57 115.99 1dgn h LYS 67 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 1dgn h LYS 67 Cb 0.37 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1dgn h LYS 67 CO 0.00 0.06 -1.19 1.03 -2.81 0.00 0.00 179.45 176.54 1dgn h SER 68 N 0.00 0.74 -1.35 4.20 0.87 -1.72 -3.30 113.55 112.99 1dgn h SER 68 Ca -0.00 -0.89 0.43 0.00 -1.23 0.00 0.00 61.79 60.10 1dgn h SER 68 Cb 0.12 -0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 61.72 1dgn h SER 68 CO 0.01 1.58 0.88 0.00 -0.53 0.00 0.00 176.83 178.77 1dgn h LYS 71 N -0.51 0.26 0.62 0.00 1.79 -1.39 -2.21 116.57 115.13 1dgn h LYS 71 Ca -0.04 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1dgn h LYS 71 Cb 0.42 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1dgn h LYS 71 CO 0.03 0.17 -0.30 0.35 -1.08 0.00 0.00 179.45 178.62 1dgn h PHE 72 N 0.26 -0.78 -0.75 -1.35 3.57 -0.98 0.80 116.94 117.71 1dgn h PHE 72 Ca 0.23 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.86 1dgn h PHE 72 Cb 0.55 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 1dgn h PHE 72 CO -0.00 -0.48 0.50 0.82 -2.23 0.00 0.00 178.31 176.92 1dgn h ILE 73 N -0.87 0.79 0.51 1.41 2.04 -1.00 -0.13 117.51 120.26 1dgn h ILE 73 Ca -0.09 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1dgn h ILE 73 Cb 0.64 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1dgn h ILE 73 CO 0.14 0.07 -0.24 0.11 0.00 0.00 0.00 178.15 178.23 1dgn h LYS 74 N 0.41 -0.66 -0.96 2.37 1.57 -1.26 -2.38 116.57 115.67 1dgn h LYS 74 Ca 0.37 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.31 1dgn h LYS 74 Cb 0.86 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.25 1dgn h LYS 74 CO -0.12 -0.39 0.61 0.45 -0.57 0.00 0.00 179.45 179.43 1dgn h HIS 75 N -1.13 1.06 -0.70 -1.35 3.86 -0.50 -1.19 115.15 115.20 1dgn h HIS 75 Ca -0.07 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1dgn h HIS 75 Cb 0.57 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1dgn h HIS 75 CO 0.01 0.45 0.27 1.25 0.86 0.00 0.00 177.93 180.77 1dgn h LEU 76 N 0.95 0.97 -0.54 2.43 5.85 -1.06 -1.82 115.31 122.09 1dgn h LEU 76 Ca 0.46 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1dgn h LEU 76 Cb 0.46 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1dgn h LEU 76 CO -0.22 0.87 0.27 0.00 -0.34 0.00 0.00 178.44 179.02 1dgn h GLU 78 N 0.53 0.00 0.07 0.00 4.11 -1.41 -3.21 114.58 114.68 1dgn h GLU 78 Ca 0.24 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.41 1dgn h GLU 78 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1dgn h GLU 78 CO -0.17 0.46 -1.24 0.93 0.07 0.00 0.00 179.01 179.06 1dgn h GLU 79 N 0.00 0.16 -1.91 1.06 4.39 -0.66 -3.44 114.58 114.17 1dgn h GLU 79 Ca -0.00 -0.27 -0.22 0.00 0.34 0.00 0.00 59.36 59.21 1dgn h GLU 79 Cb 1.16 0.10 -0.30 0.00 -0.10 0.00 0.00 28.75 29.61 1dgn h GLU 79 CO 0.06 1.08 -0.55 0.34 -1.16 0.00 0.00 179.01 178.78 1dgn s ASP 80 N -6.89 0.70 0.20 1.42 2.15 0.12 -4.95 116.67 109.41 1dgn s ASP 80 Ca -0.03 -0.27 0.26 0.00 0.43 0.00 0.00 52.55 52.94 1dgn s ASP 80 Cb 0.08 0.93 0.72 0.00 -0.30 0.00 0.00 42.92 44.34 1dgn s ASP 80 CO 0.85 -0.34 1.69 -0.81 -0.17 0.00 0.00 175.17 176.39 1dgn n PRO 81 N 5.35 0.27 0.06 4.34 -0.04 -1.21 -2.43 135.00 141.34 1dgn n PRO 81 Ca -0.02 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1dgn n PRO 81 Cb 0.49 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1dgn n PRO 81 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1dgn h GLN 82 N 0.00 -0.18 -0.60 0.54 -0.00 -1.94 -3.19 115.11 109.74 1dgn h GLN 82 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1dgn h GLN 82 Cb 0.74 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.24 1dgn h GLN 82 CO 0.00 -0.12 0.34 1.25 0.00 0.00 0.00 178.83 180.30 1dgn h LEU 83 N -0.49 0.74 0.00 -2.39 5.85 -1.97 -0.86 115.31 116.19 1dgn h LEU 83 Ca -0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1dgn h LEU 83 Cb 0.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1dgn h LEU 83 CO 0.03 0.61 0.06 0.00 -0.34 0.00 0.00 178.44 178.80 1dgn n ALA 84 N -2.31 0.96 -0.10 1.25 0.00 -1.02 -1.37 120.51 117.92 1dgn n ALA 84 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1dgn n ALA 84 Cb 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1dgn n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dgn h SER 85 N 0.00 0.53 0.00 0.00 0.87 -1.13 2.16 113.55 115.98 1dgn h SER 85 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1dgn h SER 85 Cb 0.12 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1dgn h SER 85 CO 0.00 0.70 0.00 0.29 -0.53 0.00 0.00 176.83 177.29 1dgn n LYS 86 N -4.57 0.99 -0.01 2.24 5.02 -0.47 -2.83 118.16 118.54 1dgn n LYS 86 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1dgn n LYS 86 Cb 0.26 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1dgn n LYS 86 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1dgn n MET 87 N -0.84 0.71 -1.05 1.97 2.81 -0.79 -4.84 117.12 115.09 1dgn n MET 87 Ca 0.16 -0.75 -0.23 0.00 -1.81 0.00 0.00 57.70 55.07 1dgn n MET 87 Cb 0.07 -0.62 0.06 0.00 -0.71 0.00 0.00 33.22 32.02 1dgn n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dgn n GLY 88 N -0.12 4.72 0.36 3.03 0.00 0.72 -4.73 105.19 109.17 1dgn n GLY 88 Ca 0.00 -1.52 0.29 0.00 0.00 0.00 0.00 46.02 44.79 1dgn n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgn n LEU 89 N -0.16 0.08 0.00 0.99 7.99 -1.26 -5.01 117.00 119.63 1dgn n LEU 89 Ca 0.42 0.77 0.00 0.00 -0.01 0.00 0.00 56.01 57.20 1dgn n LEU 89 Cb 0.64 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1dgn n LEU 89 CO 0.53 -0.82 0.00 1.57 -1.51 0.00 0.00 177.39 177.17