#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgn n ASP 3 N 0.00 -3.02 -2.73 0.00 5.75 -1.26 -5.00 116.55 110.29 1dgn n ASP 3 Ca 0.00 -2.57 -0.03 0.00 -0.01 0.00 0.00 54.79 52.19 1dgn n ASP 3 Cb 0.00 1.56 0.09 0.00 -1.03 0.00 0.00 41.12 41.74 1dgn n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dgn n GLN 4 N 2.75 1.45 -0.33 0.11 1.13 -1.26 -5.00 117.38 116.23 1dgn n GLN 4 Ca 0.16 -2.32 -0.06 0.00 -1.94 0.00 0.00 57.00 52.84 1dgn n GLN 4 Cb 0.58 -0.53 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 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 1.92 -1.62 0.27 1.08 6.46 -1.99 -1.66 115.31 119.75 1dgn h LEU 5 Ca -0.28 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1dgn h LEU 5 Cb 1.28 0.78 -0.03 0.00 -0.73 0.00 0.00 40.66 41.95 1dgn h LEU 5 CO 0.03 -0.29 -0.48 -0.07 -0.62 0.00 0.00 178.44 177.01 1dgn h LEU 6 N -0.07 -1.40 -0.52 2.25 -0.00 -1.94 0.32 115.31 113.94 1dgn h LEU 6 Ca 0.25 0.13 0.05 0.00 -0.00 0.00 0.00 57.88 58.31 1dgn h LEU 6 Cb 0.54 0.49 -0.06 0.00 -0.00 0.00 0.00 40.66 41.63 1dgn h LEU 6 CO -0.88 -0.56 -0.31 -1.14 -0.00 0.00 0.00 178.44 175.55 1dgn n ARG 7 N -5.26 -0.23 -0.29 1.13 0.00 -0.68 0.25 116.66 111.58 1dgn n ARG 7 Ca -0.09 1.24 -0.05 0.00 -0.00 0.00 0.00 57.85 58.95 1dgn n ARG 7 Cb 0.40 -1.84 0.07 0.00 0.00 0.00 0.00 32.46 31.09 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 1.11 -0.37 -0.14 1.57 -1.34 -1.58 116.57 115.82 1dgn h LYS 8 Ca 0.08 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dgn h LYS 8 Cb 0.21 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1dgn h LYS 8 CO -0.49 0.81 0.00 1.63 -0.57 0.00 0.00 179.45 180.83 1dgn n LYS 9 N -4.43 1.59 -0.02 3.15 4.76 0.11 -4.17 118.16 119.15 1dgn n LYS 9 Ca 0.08 -0.72 -0.10 0.00 -2.87 0.00 0.00 58.31 54.70 1dgn n LYS 9 Cb 0.08 -1.29 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 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 1.09 0.20 -0.01 1.97 1.12 0.43 -1.84 114.38 117.33 1dgn h ARG 10 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1dgn h ARG 10 Cb 0.41 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1dgn h ARG 10 CO 0.03 0.13 0.01 0.00 -3.11 0.00 0.00 179.97 177.03 1dgn h ARG 11 N 0.20 0.00 0.00 0.20 3.08 -1.79 -2.17 114.38 113.91 1dgn h ARG 11 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1dgn h ARG 11 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1dgn h ARG 11 CO -0.02 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 177.99 1dgn n ILE 12 N -3.98 0.00 -0.22 2.04 2.08 -0.75 -2.82 119.36 115.71 1dgn n ILE 12 Ca -0.03 0.58 -0.04 0.00 0.56 0.00 0.00 62.75 63.82 1dgn n ILE 12 Cb 0.10 -1.36 0.02 0.00 -0.75 0.00 0.00 39.64 37.64 1dgn n ILE 12 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1dgn h PHE 13 N 0.00 -0.87 -0.41 1.39 3.57 -1.45 -0.87 116.94 118.30 1dgn h PHE 13 Ca 0.00 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1dgn h PHE 13 Cb 0.00 0.48 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1dgn h PHE 13 CO 0.04 -0.38 -0.11 0.97 -2.23 0.00 0.00 178.31 176.60 1dgn h ILE 14 N -0.13 0.57 -1.78 1.41 2.10 -1.57 0.16 117.51 118.28 1dgn h ILE 14 Ca 0.26 0.00 -0.72 0.00 1.08 0.00 0.00 64.86 65.48 1dgn h ILE 14 Cb 0.55 0.57 -0.24 0.00 -1.09 0.00 0.00 36.82 36.61 1dgn h ILE 14 CO -0.71 0.00 1.03 1.41 -1.08 0.00 0.00 178.15 178.80 1dgn n HIS 15 N -5.32 2.61 0.10 2.19 8.25 -0.38 -4.40 115.22 118.27 1dgn n HIS 15 Ca 0.02 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.15 1dgn n HIS 15 Cb 0.23 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 30.05 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 0.06 -1.80 -4.59 0.41 7.64 -0.92 -4.87 113.62 109.55 1dgn n SER 16 Ca 0.52 0.51 -0.60 0.00 1.01 0.00 0.00 58.87 60.31 1dgn n SER 16 Cb 0.31 1.89 -0.08 0.00 -1.01 0.00 0.00 64.21 65.32 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 -2.96 0.02 -2.87 0.44 3.14 0.53 -4.89 118.33 111.75 1dgn n VAL 17 Ca 0.00 -0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.98 1dgn n VAL 17 Cb 0.00 -0.35 -0.06 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.03 2.98 0.58 7.55 0.00 -1.26 -4.91 107.32 113.30 1dgn s GLY 18 Ca 0.94 0.48 0.37 0.00 0.00 0.00 0.00 44.72 46.50 1dgn s GLY 18 CO 0.61 1.00 1.49 0.00 0.00 0.00 0.00 173.10 176.21 1dgn h ALA 19 N 4.09 3.27 0.25 3.20 0.00 -1.98 -0.61 119.26 127.49 1dgn h ALA 19 Ca -0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1dgn h ALA 19 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dgn h ALA 19 CO 0.67 -1.92 -0.12 0.78 0.00 0.00 0.00 179.25 178.66 1dgn h GLY 20 N 0.00 -0.35 -0.77 0.00 0.00 -2.00 -3.30 103.07 96.65 1dgn h GLY 20 Ca 0.65 0.13 0.38 0.00 0.00 0.00 0.00 47.33 48.48 1dgn h GLY 20 CO -0.01 -0.13 0.77 -0.84 0.00 0.00 0.00 176.54 176.34 1dgn h THR 21 N -0.85 0.26 -0.37 4.70 2.02 -1.48 0.21 112.91 117.39 1dgn h THR 21 Ca -0.03 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.14 1dgn h THR 21 Cb 0.26 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 1dgn h THR 21 CO 0.06 0.03 0.05 0.40 0.37 0.00 0.00 175.52 176.43 1dgn h ILE 22 N 0.19 0.78 -0.88 3.11 2.04 -1.56 0.68 117.51 121.88 1dgn h ILE 22 Ca 0.74 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.53 1dgn h ILE 22 Cb 2.18 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1dgn h ILE 22 CO -0.39 0.03 0.47 0.78 0.00 0.00 0.00 178.15 179.04 1dgn h ASN 23 N 0.17 1.11 1.11 1.72 4.21 -0.67 -0.94 115.58 122.28 1dgn h ASN 23 Ca 0.18 -0.10 -0.11 0.00 1.21 0.00 0.00 56.30 57.47 1dgn h ASN 23 Cb 0.22 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 1dgn h ASN 23 CO -0.26 0.89 -0.54 0.00 -1.29 0.00 0.00 177.43 176.23 1dgn h ALA 24 N 1.28 0.76 0.19 -0.83 0.00 -1.17 -2.97 119.26 116.52 1dgn h ALA 24 Ca 0.31 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1dgn h ALA 24 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dgn h ALA 24 CO -0.05 0.68 -0.09 1.25 0.00 0.00 0.00 179.25 181.04 1dgn h LEU 25 N 0.00 -0.21 -1.41 0.00 7.12 0.88 -3.02 115.31 118.68 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 1.24 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.38 1dgn h LEU 25 CO 0.07 0.32 0.47 0.17 -0.13 0.00 0.00 178.44 179.34 1dgn h LEU 26 N -1.02 0.62 -0.57 2.25 8.10 -1.32 -1.31 115.31 122.06 1dgn h LEU 26 Ca -0.03 0.01 0.02 0.00 0.11 0.00 0.00 57.88 57.99 1dgn h LEU 26 Cb 0.36 -0.12 -0.03 0.00 -0.44 0.00 0.00 40.66 40.42 1dgn h LEU 26 CO 0.04 0.39 0.36 -0.78 -4.11 0.00 0.00 178.44 174.34 1dgn h ASP 27 N 0.70 0.60 -0.59 0.17 3.58 -1.61 -2.46 116.42 116.82 1dgn h ASP 27 Ca 0.32 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1dgn h ASP 27 Cb 0.33 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1dgn h ASP 27 CO -0.11 0.43 0.28 0.00 -2.88 0.00 0.00 179.24 176.97 1dgn h LEU 29 N 0.80 -0.14 -0.71 0.00 3.38 -0.94 0.81 115.31 118.50 1dgn h LEU 29 Ca 0.20 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1dgn h LEU 29 Cb 0.11 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1dgn h LEU 29 CO -0.03 -0.08 0.42 -0.07 0.09 0.00 0.00 178.44 178.78 1dgn h LEU 30 N 0.19 0.66 -0.85 1.67 3.38 -1.27 -1.18 115.31 117.91 1dgn h LEU 30 Ca 0.36 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.57 1dgn h LEU 30 Cb 0.60 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 1dgn h LEU 30 CO -0.52 0.43 0.17 -0.08 0.09 0.00 0.00 178.44 178.53 1dgn h GLU 31 N 0.79 0.17 0.00 1.13 4.81 -0.73 1.31 114.58 122.07 1dgn h GLU 31 Ca 0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1dgn h GLU 31 Cb 0.13 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1dgn h GLU 31 CO -0.16 0.11 0.00 -0.44 -0.73 0.00 0.00 179.01 177.80 1dgn h ASP 32 N 0.18 0.00 -3.04 1.04 3.32 -1.20 -3.47 116.42 113.24 1dgn h ASP 32 Ca 0.51 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.28 1dgn h ASP 32 Cb 1.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.59 1dgn h ASP 32 CO -0.66 0.00 -0.42 -0.62 -1.72 0.00 0.00 179.24 175.82 1dgn n GLU 33 N -2.99 -3.02 0.02 3.56 1.02 0.45 -4.93 120.64 114.76 1dgn n GLU 33 Ca 0.04 0.65 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 1dgn n GLU 33 Cb 0.49 -4.95 -0.10 0.00 -0.02 0.00 0.00 31.44 26.87 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 -0.80 1.30 -3.43 2.62 3.04 -1.78 -3.45 116.25 113.74 1dgn h VAL 34 Ca -0.37 -2.16 -0.50 0.00 -1.01 0.00 0.00 66.70 62.66 1dgn h VAL 34 Cb 1.26 2.32 0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1dgn h VAL 34 CO 0.40 0.67 0.00 0.27 -1.01 0.00 0.00 177.57 177.90 1dgn s ILE 35 N -3.40 4.92 0.13 3.17 -4.36 -1.26 -4.99 121.20 115.41 1dgn s ILE 35 Ca -0.10 0.25 0.02 0.00 -0.26 0.00 0.00 60.65 60.56 1dgn s ILE 35 Cb 0.07 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 1dgn s ILE 35 CO 0.91 -0.53 0.28 -0.55 0.24 0.00 0.00 174.94 175.29 1dgn s SER 36 N -3.43 6.35 0.58 4.36 0.15 -1.26 -4.89 113.70 115.56 1dgn s SER 36 Ca 0.47 0.22 0.33 0.00 0.70 0.00 0.00 55.95 57.67 1dgn s SER 36 Cb -0.10 -1.93 1.38 0.00 -1.71 0.00 0.00 66.02 63.66 1dgn s SER 36 CO 0.34 0.07 1.68 -0.61 1.20 0.00 0.00 173.24 175.92 1dgn h GLN 37 N 2.34 0.00 -0.34 5.44 -0.00 -1.98 1.32 115.11 121.89 1dgn h GLN 37 Ca -0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.01 1dgn h GLN 37 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1dgn h GLN 37 CO 0.70 0.00 -0.43 0.93 0.00 0.00 0.00 178.83 180.03 1dgn h GLU 38 N 0.00 0.86 0.16 1.69 4.39 -1.99 -2.36 114.58 117.33 1dgn h GLU 38 Ca 0.47 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1dgn h GLU 38 Cb 2.26 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.93 1dgn h GLU 38 CO -0.00 1.12 -0.08 -0.44 -1.16 0.00 0.00 179.01 178.45 1dgn h ASP 39 N 0.69 -0.18 -1.13 1.42 5.19 0.13 -2.89 116.42 119.65 1dgn h ASP 39 Ca 0.05 -0.33 0.33 0.00 -0.62 0.00 0.00 57.03 56.45 1dgn h ASP 39 Cb 1.02 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1dgn h ASP 39 CO 0.10 0.39 0.85 -0.03 -3.12 0.00 0.00 179.24 177.43 1dgn h MET 40 N -0.91 0.00 -0.22 3.56 1.85 -1.13 0.86 114.93 118.94 1dgn h MET 40 Ca -0.02 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 58.87 1dgn h MET 40 Cb 0.50 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.54 1dgn h MET 40 CO 0.04 0.00 -0.65 -0.91 -0.40 0.00 0.00 176.91 174.99 1dgn h ASN 41 N 0.00 0.91 -0.19 1.39 -0.26 -1.37 -1.35 115.58 114.70 1dgn h ASN 41 Ca 0.54 -0.54 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1dgn h ASN 41 Cb 2.23 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 39.18 1dgn h ASN 41 CO -0.01 1.33 -0.07 0.50 -1.06 0.00 0.00 177.43 178.12 1dgn h LYS 42 N 0.58 -0.04 -0.13 0.81 3.64 0.96 0.18 116.57 122.57 1dgn h LYS 42 Ca -0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1dgn h LYS 42 Cb 1.26 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1dgn h LYS 42 CO 0.14 -0.02 -0.18 0.28 -2.27 0.00 0.00 179.45 177.39 1dgn h VAL 43 N -0.04 1.36 -0.01 2.00 2.07 -1.55 -2.95 116.25 117.13 1dgn h VAL 43 Ca 0.10 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1dgn h VAL 43 Cb 0.19 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1dgn h VAL 43 CO -0.22 0.41 0.03 -0.09 0.02 0.00 0.00 177.57 177.71 1dgn h ARG 44 N -0.03 0.00 0.00 1.57 9.65 -1.02 0.19 114.38 124.73 1dgn h ARG 44 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1dgn h ARG 44 Cb 0.73 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1dgn h ARG 44 CO 0.04 0.00 0.00 0.22 2.80 0.00 0.00 179.97 183.03 1dgn h ASP 45 N 0.00 0.00 -5.47 -3.80 3.58 -0.46 -3.48 116.42 106.79 1dgn h ASP 45 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1dgn h ASP 45 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1dgn h ASP 45 CO -0.00 0.00 -1.04 -0.62 -2.88 0.00 0.00 179.24 174.70 1dgn n GLU 46 N -2.75 -2.90 0.09 0.28 1.02 0.05 -4.96 120.64 111.48 1dgn n GLU 46 Ca -0.01 2.39 -0.06 0.00 -0.02 0.00 0.00 57.16 59.47 1dgn n GLU 46 Cb 0.15 -3.96 -0.03 0.00 -0.02 0.00 0.00 31.44 27.58 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 3.64 -0.28 0.00 1.62 2.35 -1.84 -3.50 115.58 117.56 1dgn h ASN 47 Ca -0.14 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1dgn h ASN 47 Cb 0.51 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1dgn h ASN 47 CO 0.05 0.20 0.00 -0.67 -1.65 0.00 0.00 177.43 175.36 1dgn n ASP 48 N -4.99 4.25 -3.10 5.81 2.03 -1.26 -5.06 116.55 114.22 1dgn n ASP 48 Ca -0.05 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.10 1dgn n ASP 48 Cb 0.16 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.71 1dgn n ASP 48 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1dgn n THR 49 N 0.00 0.00 -0.02 5.18 5.66 -1.26 -4.48 114.28 119.36 1dgn n THR 49 Ca 0.00 -0.05 0.06 0.00 -3.05 0.00 0.00 64.05 61.01 1dgn n THR 49 Cb 0.00 -0.64 0.45 0.00 -1.55 0.00 0.00 70.33 68.59 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1dgn h VAL 50 N -2.72 1.04 -0.94 1.08 2.07 -1.96 -1.33 116.25 113.49 1dgn h VAL 50 Ca -0.21 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1dgn h VAL 50 Cb 0.69 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1dgn h VAL 50 CO 0.13 0.09 0.61 0.24 0.02 0.00 0.00 177.57 178.66 1dgn h MET 51 N 0.50 1.01 0.13 1.57 2.86 -1.89 0.26 114.93 119.37 1dgn h MET 51 Ca 0.18 -0.06 -0.31 0.00 -2.06 0.00 0.00 59.70 57.45 1dgn h MET 51 Cb 0.10 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1dgn h MET 51 CO -0.04 0.67 -1.57 -0.44 1.06 0.00 0.00 176.91 176.59 1dgn h ASP 52 N 1.04 0.42 0.02 1.22 5.19 -1.66 -2.92 116.42 119.73 1dgn h ASP 52 Ca 0.42 -0.59 -0.13 0.00 -0.62 0.00 0.00 57.03 56.10 1dgn h ASP 52 Cb 0.25 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1dgn h ASP 52 CO -0.17 1.49 -0.44 0.11 -3.12 0.00 0.00 179.24 177.12 1dgn h LYS 53 N 0.07 0.51 0.07 3.56 1.57 -0.93 -2.99 116.57 118.43 1dgn h LYS 53 Ca -0.26 -0.27 -0.28 0.00 -1.87 0.00 0.00 60.65 57.97 1dgn h LYS 53 Cb 2.03 0.01 0.02 0.00 0.08 0.00 0.00 32.23 34.37 1dgn h LYS 53 CO 0.16 0.85 -1.15 0.00 -0.57 0.00 0.00 179.45 178.75 1dgn h ALA 54 N 1.11 0.10 -0.91 3.86 0.00 -0.62 -2.46 119.26 120.34 1dgn h ALA 54 Ca 0.03 -0.75 0.09 0.00 0.00 0.00 0.00 54.91 54.28 1dgn h ALA 54 Cb 0.93 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1dgn h ALA 54 CO 0.08 0.73 0.56 -0.09 0.00 0.00 0.00 179.25 180.53 1dgn h ARG 55 N 0.29 0.92 0.08 0.00 2.43 -1.49 0.12 114.38 116.74 1dgn h ARG 55 Ca -0.15 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.74 1dgn h ARG 55 Cb 1.81 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 31.17 1dgn h ARG 55 CO 0.22 0.61 -0.92 -0.39 -1.51 0.00 0.00 179.97 177.98 1dgn h VAL 56 N 0.95 1.39 -0.16 0.20 -1.51 -1.58 -2.69 116.25 112.84 1dgn h VAL 56 Ca 0.43 -2.35 -0.00 0.00 -1.23 0.00 0.00 66.70 63.55 1dgn h VAL 56 Cb 0.34 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 1dgn h VAL 56 CO -0.23 0.69 0.09 0.25 -1.23 0.00 0.00 177.57 177.15 1dgn h LEU 57 N -0.02 0.19 -0.98 4.19 5.85 -1.05 0.17 115.31 123.66 1dgn h LEU 57 Ca -0.14 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1dgn h LEU 57 Cb 1.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1dgn h LEU 57 CO 0.18 0.19 -0.21 -0.29 -0.34 0.00 0.00 178.44 177.96 1dgn h ILE 58 N 0.18 1.25 0.27 4.05 2.10 -0.89 -2.99 117.51 121.49 1dgn h ILE 58 Ca 0.06 -1.19 -0.01 0.00 1.08 0.00 0.00 64.86 64.80 1dgn h ILE 58 Cb 0.03 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1dgn h ILE 58 CO -0.01 0.38 -0.13 -0.78 -1.08 0.00 0.00 178.15 176.53 1dgn h ASP 59 N 0.44 -0.31 -0.82 2.19 3.58 -1.19 -3.12 116.42 117.19 1dgn h ASP 59 Ca 0.07 -0.20 0.16 0.00 0.42 0.00 0.00 57.03 57.48 1dgn h ASP 59 Cb 0.61 0.08 -0.15 0.00 1.72 0.00 0.00 39.33 41.59 1dgn h ASP 59 CO 0.04 0.17 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.26 1dgn h LEU 60 N -0.94 -0.89 0.17 2.28 3.38 -0.71 -0.26 115.31 118.34 1dgn h LEU 60 Ca -0.04 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1dgn h LEU 60 Cb 0.49 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1dgn h LEU 60 CO 0.06 -0.28 -0.52 0.58 0.09 0.00 0.00 178.44 178.38 1dgn h VAL 61 N -0.02 0.02 0.00 1.22 2.07 -1.60 0.12 116.25 118.05 1dgn h VAL 61 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1dgn h VAL 61 Cb 0.60 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1dgn h VAL 61 CO -0.85 0.00 0.14 0.74 0.02 0.00 0.00 177.57 177.62 1dgn h THR 62 N -0.78 0.00 -0.24 2.57 2.02 -1.10 -0.94 112.91 114.43 1dgn h THR 62 Ca -0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.00 1dgn h THR 62 Cb 0.77 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1dgn h THR 62 CO -0.26 0.00 -0.54 1.23 0.37 0.00 0.00 175.52 176.32 1dgn h GLY 63 N 0.00 0.80 -1.91 2.16 0.00 0.87 -3.06 103.07 101.93 1dgn h GLY 63 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1dgn h GLY 63 CO 0.00 0.83 0.00 0.28 0.00 0.00 0.00 176.54 177.65 1dgn n LYS 64 N -3.99 0.87 -0.04 4.80 4.76 -0.36 -4.94 118.16 119.26 1dgn n LYS 64 Ca -0.04 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.41 1dgn n LYS 64 Cb 0.61 -1.10 -0.00 0.00 -1.84 0.00 0.00 35.03 32.70 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 0.52 -1.87 0.00 0.72 0.00 -1.15 -4.32 105.19 99.09 1dgn n GLY 65 Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.35 0.52 0.19 1.61 -0.04 -1.26 -2.97 135.00 130.69 1dgn n PRO 66 Ca -0.00 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1dgn n PRO 66 Cb 0.02 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.06 0.54 3.11 -1.94 -2.89 116.57 115.44 1dgn h LYS 67 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1dgn h LYS 67 Cb 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1dgn h LYS 67 CO 0.00 0.39 -1.21 1.03 -2.81 0.00 0.00 179.45 176.85 1dgn h SER 68 N 0.00 0.20 -1.09 4.20 0.87 -1.72 -3.31 113.55 112.69 1dgn h SER 68 Ca -0.00 -0.23 0.30 0.00 -1.23 0.00 0.00 61.79 60.62 1dgn h SER 68 Cb 0.76 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.55 1dgn h SER 68 CO 0.05 1.19 0.71 0.00 -0.53 0.00 0.00 176.83 178.25 1dgn h LYS 71 N 0.00 0.00 -0.26 0.00 1.57 -1.67 0.29 116.57 116.51 1dgn h LYS 71 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1dgn h LYS 71 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dgn h LYS 71 CO 0.00 0.00 -0.35 0.35 -0.57 0.00 0.00 179.45 178.88 1dgn h PHE 72 N 0.00 0.85 -0.24 -1.35 3.04 -1.07 -0.61 116.94 117.57 1dgn h PHE 72 Ca 0.37 -0.28 -0.12 0.00 3.98 0.00 0.00 57.97 61.92 1dgn h PHE 72 Cb 1.90 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.22 1dgn h PHE 72 CO 0.00 1.04 -0.34 0.82 -2.02 0.00 0.00 178.31 177.81 1dgn h ILE 73 N 0.42 1.29 -0.04 1.41 2.04 0.36 -1.26 117.51 121.73 1dgn h ILE 73 Ca 0.03 -1.46 -0.18 0.00 1.00 0.00 0.00 64.86 64.25 1dgn h ILE 73 Cb 0.94 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1dgn h ILE 73 CO 0.08 0.46 -0.69 0.11 0.00 0.00 0.00 178.15 178.11 1dgn h LYS 74 N 0.43 0.54 -0.65 2.37 6.56 -1.43 -2.69 116.57 121.70 1dgn h LYS 74 Ca 0.05 -0.52 -0.08 0.00 -1.06 0.00 0.00 60.65 59.04 1dgn h LYS 74 Cb 0.81 0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 32.58 1dgn h LYS 74 CO 0.07 1.15 0.10 0.45 -2.06 0.00 0.00 179.45 179.16 1dgn h HIS 75 N 0.12 1.14 -0.04 -1.35 3.86 -1.07 -2.66 115.15 115.15 1dgn h HIS 75 Ca -0.07 -0.16 -0.09 0.00 -1.16 0.00 0.00 60.37 58.89 1dgn h HIS 75 Cb 1.36 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 1dgn h HIS 75 CO 0.12 0.96 -0.38 1.25 0.86 0.00 0.00 177.93 180.74 1dgn h LEU 76 N 1.01 0.09 0.26 2.43 5.85 -1.28 -2.69 115.31 120.98 1dgn h LEU 76 Ca 0.20 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1dgn h LEU 76 Cb 0.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1dgn h LEU 76 CO 0.01 0.47 -0.13 0.00 -0.34 0.00 0.00 178.44 178.46 1dgn h GLU 78 N -0.41 0.00 0.13 0.00 4.11 -1.52 -2.24 114.58 114.65 1dgn h GLU 78 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.06 1dgn h GLU 78 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1dgn h GLU 78 CO 0.06 0.00 -1.78 0.93 0.07 0.00 0.00 179.01 178.29 1dgn h GLU 79 N 0.00 0.27 -1.45 1.06 4.39 -1.16 -3.44 114.58 114.25 1dgn h GLU 79 Ca 0.00 -0.46 -0.36 0.00 0.34 0.00 0.00 59.36 58.88 1dgn h GLU 79 Cb 0.55 0.17 -0.26 0.00 -0.10 0.00 0.00 28.75 29.11 1dgn h GLU 79 CO 0.00 1.14 -0.74 -3.47 -1.16 0.00 0.00 179.01 174.78 1dgn n ASP 80 N -3.46 -1.91 0.18 1.42 -0.08 0.98 -4.94 116.55 108.75 1dgn n ASP 80 Ca -0.24 -2.76 0.18 0.00 -1.51 0.00 0.00 54.79 50.46 1dgn n ASP 80 Cb 1.06 0.67 0.70 0.00 2.34 0.00 0.00 41.12 45.89 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 4.95 0.00 0.00 -0.67 0.11 -1.57 -0.46 132.00 134.36 1dgn h PRO 81 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1dgn h PRO 81 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dgn h PRO 81 CO 0.24 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.97 1dgn n GLN 82 N -3.26 0.00 -0.22 1.05 0.00 -1.26 -3.28 117.38 110.40 1dgn n GLN 82 Ca 0.04 0.29 0.15 0.00 -0.00 0.00 0.00 57.00 57.48 1dgn n GLN 82 Cb 0.62 -1.07 0.45 0.00 0.00 0.00 0.00 30.24 30.25 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 0.51 -0.30 1.69 5.85 -1.90 0.27 115.31 121.43 1dgn h LEU 83 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dgn h LEU 83 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1dgn h LEU 83 CO 0.00 0.25 0.08 0.00 -0.34 0.00 0.00 178.44 178.43 1dgn n ALA 84 N -2.48 0.87 -0.02 1.25 0.00 -0.20 -1.67 120.51 118.26 1dgn n ALA 84 Ca 0.17 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1dgn n ALA 84 Cb 0.53 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 0.15 -0.13 0.00 0.87 -0.44 1.97 113.55 115.98 1dgn h SER 85 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1dgn h SER 85 Cb 0.16 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1dgn h SER 85 CO 0.00 0.33 0.00 0.29 -0.53 0.00 0.00 176.83 176.92 1dgn n LYS 86 N -4.88 1.43 -2.07 2.24 4.01 -0.67 -3.58 118.16 114.63 1dgn n LYS 86 Ca -0.06 -0.65 0.00 0.00 -0.51 0.00 0.00 58.31 57.09 1dgn n LYS 86 Cb 0.14 -1.28 0.03 0.00 -0.51 0.00 0.00 35.03 33.42 1dgn n LYS 86 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1dgn n MET 87 N -0.08 0.81 -2.85 1.97 2.81 -0.76 -4.95 117.12 114.08 1dgn n MET 87 Ca 0.12 -2.30 -0.11 0.00 -1.81 0.00 0.00 57.70 53.60 1dgn n MET 87 Cb 0.20 -0.45 0.05 0.00 -0.71 0.00 0.00 33.22 32.31 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 -0.25 1.25 0.36 3.03 0.00 0.66 -4.79 105.19 105.45 1dgn n GLY 88 Ca -0.02 -0.39 0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 0.55 0.20 0.00 0.99 7.99 -1.26 -4.84 117.00 120.63 1dgn n LEU 89 Ca 0.11 1.19 0.09 0.00 -0.01 0.00 0.00 56.01 57.39 1dgn n LEU 89 Cb 0.68 -0.58 0.56 0.00 -0.11 0.00 0.00 43.42 43.96 1dgn n LEU 89 CO 0.08 -1.30 0.76 1.57 -1.51 0.00 0.00 177.39 176.98