#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 -1.37 -0.43 0.00 -4.77 -1.26 -5.05 116.67 103.79 1dgn s ASP 3 Ca 0.00 -0.51 0.08 0.00 -3.30 0.00 0.00 52.55 48.82 1dgn s ASP 3 Cb 0.00 1.76 0.32 0.00 -1.09 0.00 0.00 42.92 43.92 1dgn s ASP 3 CO 0.00 -0.17 0.99 0.00 0.70 0.00 0.00 175.17 176.69 1dgn n GLN 4 N 4.52 0.99 0.35 2.11 6.02 -1.26 -5.02 117.38 125.08 1dgn n GLN 4 Ca 0.09 -2.36 -0.14 0.00 -0.01 0.00 0.00 57.00 54.59 1dgn n GLN 4 Cb 0.57 -1.25 -0.07 0.00 1.02 0.00 0.00 30.24 30.52 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1dgn h LEU 5 N 3.07 -0.80 -0.47 1.08 6.46 -2.00 -2.86 115.31 119.79 1dgn h LEU 5 Ca -0.04 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1dgn h LEU 5 Cb 1.06 0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 41.11 1dgn h LEU 5 CO 0.25 -0.55 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.01 1dgn h LEU 6 N -0.90 -1.48 -0.97 2.25 -0.00 -1.95 0.17 115.31 112.43 1dgn h LEU 6 Ca -0.09 0.23 0.09 0.00 -0.00 0.00 0.00 57.88 58.11 1dgn h LEU 6 Cb 0.70 0.65 -0.12 0.00 -0.00 0.00 0.00 40.66 41.89 1dgn h LEU 6 CO 0.13 -0.36 -0.57 -1.14 -0.00 0.00 0.00 178.44 176.51 1dgn n ARG 7 N -5.41 -0.42 -0.15 1.13 0.00 -1.21 0.26 116.66 110.86 1dgn n ARG 7 Ca 0.00 1.47 -0.10 0.00 -0.00 0.00 0.00 57.85 59.23 1dgn n ARG 7 Cb 0.35 -2.16 -0.01 0.00 0.00 0.00 0.00 32.46 30.64 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 0.70 0.00 -0.14 1.79 -1.14 -2.25 116.57 115.53 1dgn h LYS 8 Ca 0.16 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1dgn h LYS 8 Cb 0.40 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1dgn h LYS 8 CO -0.92 0.73 0.00 1.63 -1.08 0.00 0.00 179.45 179.81 1dgn n LYS 9 N -4.51 1.00 -0.31 3.15 4.76 0.52 -3.86 118.16 118.91 1dgn n LYS 9 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1dgn n LYS 9 Cb 0.23 -1.18 0.25 0.00 -1.84 0.00 0.00 35.03 32.49 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 0.00 0.97 0.00 1.97 1.12 0.42 -0.23 114.38 118.63 1dgn h ARG 10 Ca 0.00 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.65 1dgn h ARG 10 Cb 0.00 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 29.72 1dgn h ARG 10 CO 0.00 0.64 -0.78 0.07 -3.11 0.00 0.00 179.97 176.80 1dgn h ARG 11 N 1.00 0.00 0.03 0.20 0.11 -1.78 -2.94 114.38 111.00 1dgn h ARG 11 Ca 0.41 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.49 1dgn h ARG 11 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1dgn h ARG 11 CO -0.16 0.78 -0.02 0.82 0.10 0.00 0.00 179.97 181.49 1dgn h ILE 12 N 0.00 0.00 -0.47 0.08 2.04 -1.52 -2.99 117.51 114.65 1dgn h ILE 12 Ca -0.01 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1dgn h ILE 12 Cb 1.39 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.37 1dgn h ILE 12 CO 0.10 0.00 -0.28 0.15 0.00 0.00 0.00 178.15 178.12 1dgn h PHE 13 N -0.17 -0.76 -0.43 1.37 3.04 -1.25 -1.60 116.94 117.14 1dgn h PHE 13 Ca -0.00 0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.09 1dgn h PHE 13 Cb 0.03 0.40 -0.08 0.00 2.56 0.00 0.00 35.95 38.87 1dgn h PHE 13 CO 0.04 -0.35 -0.10 0.97 -2.02 0.00 0.00 178.31 176.85 1dgn h ILE 14 N -0.18 0.58 -1.30 1.41 2.10 -1.69 -1.13 117.51 117.30 1dgn h ILE 14 Ca 0.21 -0.00 -0.70 0.00 1.08 0.00 0.00 64.86 65.44 1dgn h ILE 14 Cb 0.51 0.57 -0.16 0.00 -1.09 0.00 0.00 36.82 36.65 1dgn h ILE 14 CO -0.57 0.00 1.80 1.41 -1.08 0.00 0.00 178.15 179.71 1dgn n HIS 15 N -5.31 2.43 0.09 2.19 8.25 -0.61 -4.27 115.22 117.99 1dgn n HIS 15 Ca 0.03 -2.60 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 1dgn n HIS 15 Cb 0.23 -1.64 0.00 0.00 1.12 0.00 0.00 29.99 29.70 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 1.26 -1.68 -4.49 0.41 7.64 -0.98 -4.88 113.62 110.90 1dgn n SER 16 Ca 0.58 0.57 -0.57 0.00 1.01 0.00 0.00 58.87 60.46 1dgn n SER 16 Cb 0.31 1.80 -0.07 0.00 -1.01 0.00 0.00 64.21 65.24 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 -3.02 0.36 -2.95 0.44 3.14 -0.47 -4.93 118.33 110.90 1dgn n VAL 17 Ca 0.00 -0.09 -0.30 0.00 -2.96 0.00 0.00 64.34 60.99 1dgn n VAL 17 Cb 0.00 -0.05 -0.03 0.00 -1.06 0.00 0.00 33.84 32.69 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 -0.15 1.97 0.58 7.55 0.00 -1.26 -4.95 107.32 111.06 1dgn s GLY 18 Ca 0.86 -0.23 0.29 0.00 0.00 0.00 0.00 44.72 45.63 1dgn s GLY 18 CO 0.56 -0.05 1.90 0.00 0.00 0.00 0.00 173.10 175.51 1dgn h ALA 19 N 1.41 2.32 0.18 3.20 0.00 -1.98 -2.59 119.26 121.79 1dgn h ALA 19 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1dgn h ALA 19 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1dgn h ALA 19 CO 0.64 -0.78 -0.09 0.78 0.00 0.00 0.00 179.25 179.81 1dgn h GLY 20 N 0.00 -0.25 -0.84 0.00 0.00 -2.01 -3.32 103.07 96.64 1dgn h GLY 20 Ca 0.25 0.09 0.39 0.00 0.00 0.00 0.00 47.33 48.06 1dgn h GLY 20 CO -0.00 -0.09 0.64 -0.84 0.00 0.00 0.00 176.54 176.25 1dgn h THR 21 N -0.95 0.15 0.19 4.70 2.02 -1.85 -0.25 112.91 116.92 1dgn h THR 21 Ca -0.02 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1dgn h THR 21 Cb 0.18 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.54 1dgn h THR 21 CO 0.04 0.03 -0.51 0.40 0.37 0.00 0.00 175.52 175.85 1dgn h ILE 22 N 0.15 0.00 -0.99 3.11 2.04 -1.60 0.75 117.51 120.97 1dgn h ILE 22 Ca 0.80 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.85 1dgn h ILE 22 Cb 2.12 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 1dgn h ILE 22 CO -0.60 0.00 0.61 -1.13 0.00 0.00 0.00 178.15 177.03 1dgn h ASN 23 N -0.78 0.70 1.06 1.72 -0.73 -1.15 0.18 115.58 116.59 1dgn h ASN 23 Ca -0.02 0.08 -0.14 0.00 1.87 0.00 0.00 56.30 58.10 1dgn h ASN 23 Cb 0.75 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 1dgn h ASN 23 CO -0.23 0.25 -0.67 0.00 -0.37 0.00 0.00 177.43 176.41 1dgn h ALA 24 N 1.63 0.67 0.26 1.57 0.00 -1.14 -2.95 119.26 119.30 1dgn h ALA 24 Ca 0.56 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dgn h ALA 24 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dgn h ALA 24 CO -0.33 0.83 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 1dgn h LEU 25 N 0.00 -0.30 -1.38 0.00 7.12 0.33 -3.02 115.31 118.06 1dgn h LEU 25 Ca -0.01 -0.10 0.06 0.00 0.13 0.00 0.00 57.88 57.96 1dgn h LEU 25 Cb 1.38 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.54 1dgn h LEU 25 CO 0.09 0.19 0.47 0.17 -0.13 0.00 0.00 178.44 179.23 1dgn h LEU 26 N -1.05 0.67 -0.66 2.25 8.10 -1.18 -1.35 115.31 122.08 1dgn h LEU 26 Ca -0.04 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.01 1dgn h LEU 26 Cb 0.38 -0.14 -0.05 0.00 -0.44 0.00 0.00 40.66 40.40 1dgn h LEU 26 CO 0.06 0.44 0.37 -0.78 -4.11 0.00 0.00 178.44 174.42 1dgn h ASP 27 N 0.76 0.56 -0.08 0.17 1.82 -1.60 -1.32 116.42 116.73 1dgn h ASP 27 Ca 0.30 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1dgn h ASP 27 Cb 0.22 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1dgn h ASP 27 CO -0.10 0.37 -0.16 0.00 -1.61 0.00 0.00 179.24 177.74 1dgn h LEU 29 N 0.40 0.57 -0.52 0.00 3.38 -0.76 -2.15 115.31 116.24 1dgn h LEU 29 Ca 0.07 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1dgn h LEU 29 Cb 0.52 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1dgn h LEU 29 CO 0.03 0.50 -0.16 -0.07 0.09 0.00 0.00 178.44 178.83 1dgn h LEU 30 N 0.63 1.04 -1.24 1.67 3.38 -1.06 -2.49 115.31 117.24 1dgn h LEU 30 Ca 0.16 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1dgn h LEU 30 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1dgn h LEU 30 CO -0.02 1.18 0.55 -0.33 0.09 0.00 0.00 178.44 179.90 1dgn h GLU 31 N 0.89 0.89 0.00 1.13 4.39 -1.27 0.52 114.58 121.13 1dgn h GLU 31 Ca 0.13 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1dgn h GLU 31 Cb 0.74 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1dgn h GLU 31 CO 0.06 0.59 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.91 1dgn h ASP 32 N 0.92 0.00 -1.47 1.42 5.19 -1.27 -3.47 116.42 117.74 1dgn h ASP 32 Ca 0.36 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.55 1dgn h ASP 32 Cb 0.24 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1dgn h ASP 32 CO -0.13 0.15 -0.28 -0.62 -3.12 0.00 0.00 179.24 175.24 1dgn n GLU 33 N -3.19 -0.89 0.03 3.56 1.02 0.17 -4.93 120.64 116.42 1dgn n GLU 33 Ca 0.02 0.59 -0.20 0.00 -0.02 0.00 0.00 57.16 57.55 1dgn n GLU 33 Cb 0.49 -4.70 -0.10 0.00 -0.02 0.00 0.00 31.44 27.11 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 1.30 -2.76 2.62 3.04 -1.80 -3.46 116.25 115.19 1dgn h VAL 34 Ca -0.26 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.22 1dgn h VAL 34 Cb 1.14 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.81 1dgn h VAL 34 CO 0.32 0.68 0.00 2.30 -1.01 0.00 0.00 177.57 179.86 1dgn n ILE 35 N -3.91 0.00 -3.91 3.17 -5.35 -1.26 -4.99 119.36 103.11 1dgn n ILE 35 Ca -0.11 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 1dgn n ILE 35 Cb 0.85 -1.54 -0.07 0.00 -1.74 0.00 0.00 39.64 37.14 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 0.11 0.60 7.28 0.15 -1.26 -5.00 113.70 114.58 1dgn s SER 36 Ca 0.00 -0.76 0.28 0.00 0.70 0.00 0.00 55.95 56.18 1dgn s SER 36 Cb 0.00 0.36 1.19 0.00 -1.71 0.00 0.00 66.02 65.87 1dgn s SER 36 CO 0.00 -0.78 1.57 -0.61 1.20 0.00 0.00 173.24 174.63 1dgn h GLN 37 N 2.70 0.00 0.47 5.44 5.75 -2.00 0.27 115.11 127.73 1dgn h GLN 37 Ca -0.33 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.14 1dgn h GLN 37 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1dgn h GLN 37 CO 0.54 0.00 -0.23 0.93 -2.65 0.00 0.00 178.83 177.42 1dgn h GLU 38 N 0.00 -0.61 -0.10 1.69 4.39 -2.00 -2.82 114.58 115.14 1dgn h GLU 38 Ca 0.37 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1dgn h GLU 38 Cb 2.15 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.93 1dgn h GLU 38 CO -0.00 -0.34 0.01 -0.44 -1.16 0.00 0.00 179.01 177.07 1dgn h ASP 39 N -1.09 0.17 -1.19 1.42 5.19 -1.19 -2.74 116.42 116.99 1dgn h ASP 39 Ca -0.06 -0.29 0.35 0.00 -0.62 0.00 0.00 57.03 56.40 1dgn h ASP 39 Cb 0.55 -0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.91 1dgn h ASP 39 CO 0.11 0.42 0.78 -0.03 -3.12 0.00 0.00 179.24 177.39 1dgn h MET 40 N -0.09 0.21 -0.15 3.56 1.85 -0.72 0.95 114.93 120.54 1dgn h MET 40 Ca 0.03 -0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 58.93 1dgn h MET 40 Cb 0.33 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 1dgn h MET 40 CO 0.00 0.14 -0.63 -0.91 -0.40 0.00 0.00 176.91 175.12 1dgn h ASN 41 N 0.22 0.61 -0.41 1.39 -0.26 -1.22 -2.71 115.58 113.20 1dgn h ASN 41 Ca 0.70 -0.36 0.08 0.00 -0.56 0.00 0.00 56.30 56.16 1dgn h ASN 41 Cb 2.08 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 39.09 1dgn h ASN 41 CO -0.33 1.09 -0.02 0.50 -1.06 0.00 0.00 177.43 177.61 1dgn h LYS 42 N 0.40 0.08 -0.21 0.81 3.11 0.11 0.33 116.57 121.21 1dgn h LYS 42 Ca -0.01 -0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.64 1dgn h LYS 42 Cb 1.19 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1dgn h LYS 42 CO 0.12 0.06 -0.63 0.28 -2.81 0.00 0.00 179.45 176.46 1dgn h VAL 43 N 0.09 1.30 0.00 2.00 2.07 -1.55 -3.11 116.25 117.05 1dgn h VAL 43 Ca 0.20 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1dgn h VAL 43 Cb 0.30 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1dgn h VAL 43 CO -0.36 0.59 -0.12 -0.09 0.02 0.00 0.00 177.57 177.61 1dgn h ARG 44 N 0.54 0.00 -0.67 1.57 9.65 -1.08 -2.02 114.38 122.37 1dgn h ARG 44 Ca -0.01 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.06 1dgn h ARG 44 Cb 1.23 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 1dgn h ARG 44 CO 0.13 0.12 0.67 0.38 2.80 0.00 0.00 179.97 184.06 1dgn h ASP 45 N 0.00 0.00 -5.68 -3.80 2.03 -0.87 -3.46 116.42 104.64 1dgn h ASP 45 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1dgn h ASP 45 Cb 0.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.68 1dgn h ASP 45 CO 0.02 0.00 -0.92 -0.62 -1.03 0.00 0.00 179.24 176.69 1dgn n GLU 46 N -3.71 -2.39 0.06 4.15 1.02 -0.76 -4.96 120.64 114.04 1dgn n GLU 46 Ca 0.14 2.06 -0.03 0.00 -0.02 0.00 0.00 57.16 59.30 1dgn n GLU 46 Cb 0.91 -3.08 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1dgn h ASN 47 N 3.92 -0.17 0.00 1.62 2.35 -1.89 -3.51 115.58 117.90 1dgn h ASN 47 Ca -0.13 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1dgn h ASN 47 Cb 0.58 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1dgn h ASN 47 CO 0.03 0.13 0.00 0.47 -1.65 0.00 0.00 177.43 176.41 1dgn n ASP 48 N -3.98 4.32 -3.51 5.81 8.00 -1.26 -5.08 116.55 120.85 1dgn n ASP 48 Ca -0.03 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1dgn n ASP 48 Cb 0.08 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dgn n THR 49 N 0.00 0.00 -0.20 -3.53 -2.24 -1.26 -4.48 114.28 102.57 1dgn n THR 49 Ca 0.00 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1dgn n THR 49 Cb 0.00 -0.50 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dgn h VAL 50 N -2.82 1.16 -1.06 2.28 2.07 -1.98 -2.55 116.25 113.35 1dgn h VAL 50 Ca -0.21 -0.34 0.39 0.00 0.82 0.00 0.00 66.70 67.37 1dgn h VAL 50 Cb 0.70 0.37 -0.16 0.00 -1.52 0.00 0.00 31.29 30.68 1dgn h VAL 50 CO 0.13 0.16 0.61 0.24 0.02 0.00 0.00 177.57 178.72 1dgn h MET 51 N 0.76 0.11 0.03 1.57 2.86 -1.89 0.29 114.93 118.66 1dgn h MET 51 Ca 0.20 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1dgn h MET 51 Cb -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1dgn h MET 51 CO -0.04 0.07 -0.39 0.22 1.06 0.00 0.00 176.91 177.83 1dgn h ASP 52 N 0.11 0.09 -0.66 1.22 1.82 -1.76 -2.65 116.42 114.59 1dgn h ASP 52 Ca 0.81 -0.91 0.16 0.00 -0.39 0.00 0.00 57.03 56.70 1dgn h ASP 52 Cb 2.14 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 42.08 1dgn h ASP 52 CO -0.66 1.17 0.45 0.11 -1.61 0.00 0.00 179.24 178.70 1dgn h LYS 53 N -0.88 0.18 0.00 0.28 1.57 -0.64 -2.20 116.57 114.89 1dgn h LYS 53 Ca -0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1dgn h LYS 53 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1dgn h LYS 53 CO -0.01 0.12 -0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1dgn h ALA 54 N 1.68 -0.00 -0.89 3.86 0.00 -0.63 -2.69 119.26 120.58 1dgn h ALA 54 Ca 0.32 -0.47 0.20 0.00 0.00 0.00 0.00 54.91 54.95 1dgn h ALA 54 Cb 0.99 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 1dgn h ALA 54 CO -0.05 -0.00 -0.12 -0.09 0.00 0.00 0.00 179.25 178.98 1dgn h ARG 55 N -1.00 0.02 -0.03 0.00 9.65 -1.02 0.28 114.38 122.29 1dgn h ARG 55 Ca -0.00 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1dgn h ARG 55 Cb 0.95 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1dgn h ARG 55 CO 0.00 0.01 -0.25 -0.39 2.80 0.00 0.00 179.97 182.14 1dgn h VAL 56 N 0.02 1.49 -0.26 0.20 -1.51 -1.60 -2.85 116.25 111.75 1dgn h VAL 56 Ca 0.47 -1.81 0.06 0.00 -1.23 0.00 0.00 66.70 64.19 1dgn h VAL 56 Cb 0.81 2.57 -0.08 0.00 -2.13 0.00 0.00 31.29 32.46 1dgn h VAL 56 CO -0.88 0.50 -0.37 0.25 -1.23 0.00 0.00 177.57 175.84 1dgn h LEU 57 N -0.39 -1.20 -1.63 4.19 5.85 -0.80 0.79 115.31 122.13 1dgn h LEU 57 Ca -0.02 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1dgn h LEU 57 Cb 0.95 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1dgn h LEU 57 CO 0.05 -0.37 -0.09 -0.29 -0.34 0.00 0.00 178.44 177.39 1dgn h ILE 58 N -0.37 1.12 -0.23 4.05 2.10 -1.13 -2.78 117.51 120.27 1dgn h ILE 58 Ca 0.12 -0.52 -0.04 0.00 1.08 0.00 0.00 64.86 65.49 1dgn h ILE 58 Cb 0.58 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 1dgn h ILE 58 CO -0.46 0.16 -0.03 -0.78 -1.08 0.00 0.00 178.15 175.96 1dgn h ASP 59 N 0.12 0.42 0.02 2.19 3.58 -0.75 -3.12 116.42 118.87 1dgn h ASP 59 Ca 0.03 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.14 1dgn h ASP 59 Cb 0.25 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1dgn h ASP 59 CO 0.01 0.66 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.90 1dgn h LEU 60 N 0.17 -0.19 -0.52 2.28 3.38 -0.67 -1.66 115.31 118.10 1dgn h LEU 60 Ca 0.06 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1dgn h LEU 60 Cb 0.46 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 1dgn h LEU 60 CO 0.02 -0.10 -0.39 0.58 0.09 0.00 0.00 178.44 178.63 1dgn h VAL 61 N -0.13 0.13 -0.20 1.22 2.07 -1.54 -0.78 116.25 117.02 1dgn h VAL 61 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1dgn h VAL 61 Cb 0.15 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1dgn h VAL 61 CO -0.06 0.00 0.05 0.71 0.02 0.00 0.00 177.57 178.29 1dgn h THR 62 N -0.23 0.92 -0.92 2.57 1.35 -1.46 -2.51 112.91 112.63 1dgn h THR 62 Ca 0.18 -0.05 0.27 0.00 -0.55 0.00 0.00 66.41 66.27 1dgn h THR 62 Cb 0.56 0.77 -0.16 0.00 -1.73 0.00 0.00 68.15 67.60 1dgn h THR 62 CO -0.64 0.03 0.23 1.23 -0.25 0.00 0.00 175.52 176.12 1dgn h GLY 63 N 0.14 1.47 -2.03 5.82 0.00 -0.18 1.01 103.07 109.30 1dgn h GLY 63 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1dgn h GLY 63 CO -0.11 -0.46 0.00 0.28 0.00 0.00 0.00 176.54 176.25 1dgn n LYS 64 N -5.29 0.86 -0.01 4.80 4.76 -0.85 -4.93 118.16 117.51 1dgn n LYS 64 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1dgn n LYS 64 Cb 0.78 -1.07 -0.00 0.00 -1.84 0.00 0.00 35.03 32.90 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 0.59 -2.47 0.10 0.72 0.00 0.35 -4.47 105.19 100.01 1dgn n GLY 65 Ca 0.00 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.13 0.19 0.29 1.61 -0.04 -1.26 -3.07 135.00 130.60 1dgn n PRO 66 Ca -0.00 0.29 0.19 0.00 -0.04 0.00 0.00 63.50 63.93 1dgn n PRO 66 Cb 0.01 -1.78 0.97 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.03 0.54 3.64 -1.92 0.24 116.57 119.10 1dgn h LYS 67 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1dgn h LYS 67 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1dgn h LYS 67 CO 0.00 0.00 -0.99 1.03 -2.27 0.00 0.00 179.45 177.22 1dgn h SER 68 N 0.00 0.21 -0.64 4.20 0.87 -1.76 -3.32 113.55 113.10 1dgn h SER 68 Ca 0.03 -0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.51 1dgn h SER 68 Cb 0.35 -0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.12 1dgn h SER 68 CO -0.00 1.08 -0.24 0.00 -0.53 0.00 0.00 176.83 177.13 1dgn h LYS 71 N -0.03 0.00 0.08 0.00 1.57 -1.28 -2.83 116.57 114.08 1dgn h LYS 71 Ca 0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1dgn h LYS 71 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1dgn h LYS 71 CO -0.69 0.20 -0.04 0.35 -0.57 0.00 0.00 179.45 178.70 1dgn h PHE 72 N 0.00 -0.10 0.00 -1.35 3.04 0.20 -1.85 116.94 116.88 1dgn h PHE 72 Ca -0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1dgn h PHE 72 Cb 0.73 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1dgn h PHE 72 CO 0.00 0.45 -0.10 0.82 -2.02 0.00 0.00 178.31 177.46 1dgn h ILE 73 N -0.78 0.99 0.09 1.41 2.04 -0.71 -1.54 117.51 119.01 1dgn h ILE 73 Ca -0.01 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1dgn h ILE 73 Cb 0.60 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1dgn h ILE 73 CO 0.02 0.10 -0.05 0.11 0.00 0.00 0.00 178.15 178.33 1dgn h LYS 74 N 0.00 -0.12 -0.21 2.37 1.57 -1.54 -2.66 116.57 115.98 1dgn h LYS 74 Ca -0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1dgn h LYS 74 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1dgn h LYS 74 CO 0.01 0.35 0.19 0.45 -0.57 0.00 0.00 179.45 179.88 1dgn h HIS 75 N -0.92 0.00 0.00 -1.35 3.86 -1.22 0.62 115.15 116.14 1dgn h HIS 75 Ca -0.01 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1dgn h HIS 75 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1dgn h HIS 75 CO 0.11 0.00 -0.87 1.25 0.86 0.00 0.00 177.93 179.28 1dgn h LEU 76 N 0.00 0.23 -0.82 2.43 5.85 -1.32 -2.73 115.31 118.95 1dgn h LEU 76 Ca 0.10 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1dgn h LEU 76 Cb 0.47 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1dgn h LEU 76 CO -0.00 0.99 0.50 0.00 -0.34 0.00 0.00 178.44 179.59 1dgn h GLU 78 N 1.13 0.00 0.00 0.00 5.08 -1.57 -3.08 114.58 116.14 1dgn h GLU 78 Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1dgn h GLU 78 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1dgn h GLU 78 CO -0.06 0.79 -0.11 0.93 -1.00 0.00 0.00 179.01 179.56 1dgn h GLU 79 N 0.00 0.00 -2.52 2.33 3.07 -1.18 -3.43 114.58 112.86 1dgn h GLU 79 Ca -0.02 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.25 1dgn h GLU 79 Cb 1.62 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 29.13 1dgn h GLU 79 CO 0.10 0.64 -0.82 -3.47 -1.40 0.00 0.00 179.01 174.06 1dgn n ASP 80 N -4.65 1.27 -0.11 1.42 -0.08 0.87 -4.96 116.55 110.30 1dgn n ASP 80 Ca -0.08 -2.82 0.26 0.00 -1.51 0.00 0.00 54.79 50.63 1dgn n ASP 80 Cb 0.33 -0.65 0.72 0.00 2.34 0.00 0.00 41.12 43.86 1dgn n ASP 80 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dgn h PRO 81 N 5.13 0.00 0.00 -0.67 0.11 -1.66 -0.49 132.00 134.42 1dgn h PRO 81 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1dgn h PRO 81 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1dgn h PRO 81 CO 0.55 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.28 1dgn n GLN 82 N -4.23 0.00 0.07 1.05 0.00 -1.26 -2.97 117.38 110.04 1dgn n GLN 82 Ca 0.15 0.49 0.18 0.00 -0.00 0.00 0.00 57.00 57.82 1dgn n GLN 82 Cb 0.86 -1.42 0.70 0.00 0.00 0.00 0.00 30.24 30.38 1dgn n GLN 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1dgn h LEU 83 N 0.00 0.00 -0.28 1.69 5.85 -1.89 0.24 115.31 120.93 1dgn h LEU 83 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1dgn h LEU 83 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1dgn h LEU 83 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1dgn n ALA 84 N -2.57 1.10 -0.01 1.25 0.00 -0.21 -2.06 120.51 118.00 1dgn n ALA 84 Ca 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1dgn n ALA 84 Cb 0.48 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1dgn n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dgn h SER 85 N 0.00 0.03 -0.01 0.00 4.64 -0.40 2.15 113.55 119.96 1dgn h SER 85 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1dgn h SER 85 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dgn h SER 85 CO 0.00 0.47 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1dgn n LYS 86 N -4.85 1.04 -0.19 4.77 4.76 -0.87 -2.85 118.16 119.95 1dgn n LYS 86 Ca -0.08 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1dgn n LYS 86 Cb 0.24 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1dgn n LYS 86 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1dgn n MET 87 N -0.40 0.00 -2.44 1.97 2.81 -1.02 -4.92 117.12 113.12 1dgn n MET 87 Ca 0.00 -0.49 -0.29 0.00 -1.81 0.00 0.00 57.70 55.11 1dgn n MET 87 Cb 0.05 -0.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.00 5.89 0.36 3.03 0.00 0.73 -4.89 105.19 110.31 1dgn n GLY 88 Ca 0.00 -2.72 0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.46 0.11 0.00 0.99 7.99 -1.26 -4.94 117.00 119.43 1dgn n LEU 89 Ca 0.41 0.87 0.00 0.00 -0.01 0.00 0.00 56.01 57.27 1dgn n LEU 89 Cb 0.55 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 1dgn n LEU 89 CO 0.37 -0.93 0.12 1.57 -1.51 0.00 0.00 177.39 177.01