#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 -1.21 -0.29 0.00 1.47 -1.26 -5.00 116.67 110.38 1dgn s ASP 3 Ca 0.00 -1.26 0.15 0.00 1.18 0.00 0.00 52.55 52.62 1dgn s ASP 3 Cb 0.00 1.58 0.41 0.00 -0.34 0.00 0.00 42.92 44.57 1dgn s ASP 3 CO 0.00 -0.06 1.40 0.00 0.68 0.00 0.00 175.17 177.19 1dgn n GLN 4 N 3.17 1.36 0.03 2.11 1.13 -1.26 -4.95 117.38 118.97 1dgn n GLN 4 Ca 0.15 -1.80 -0.03 0.00 -1.94 0.00 0.00 57.00 53.38 1dgn n GLN 4 Cb 0.58 -0.09 -0.02 0.00 0.11 0.00 0.00 30.24 30.82 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 1.35 -0.24 -0.83 1.08 6.46 -2.00 -2.79 115.31 118.34 1dgn h LEU 5 Ca -0.37 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.55 1dgn h LEU 5 Cb 1.31 0.09 -0.14 0.00 -0.73 0.00 0.00 40.66 41.18 1dgn h LEU 5 CO -0.10 -0.10 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.22 1dgn h LEU 6 N -0.14 -1.24 -0.97 2.25 -0.00 -1.95 0.19 115.31 113.45 1dgn h LEU 6 Ca -0.00 0.27 0.11 0.00 -0.00 0.00 0.00 57.88 58.26 1dgn h LEU 6 Cb 0.13 0.66 -0.13 0.00 -0.00 0.00 0.00 40.66 41.32 1dgn h LEU 6 CO -0.03 -0.29 -0.50 -1.14 -0.00 0.00 0.00 178.44 176.47 1dgn n ARG 7 N -5.47 -0.36 -0.06 1.13 0.00 -1.10 0.24 116.66 111.04 1dgn n ARG 7 Ca 0.08 1.48 -0.16 0.00 -0.00 0.00 0.00 57.85 59.25 1dgn n ARG 7 Cb 0.39 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.62 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 -0.55 -0.14 1.57 -0.92 -2.98 116.57 114.41 1dgn h LYS 8 Ca 0.22 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1dgn h LYS 8 Cb 0.46 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1dgn h LYS 8 CO -0.93 1.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.80 1dgn n LYS 9 N -3.99 1.56 -0.19 3.15 4.76 0.54 -4.01 118.16 119.98 1dgn n LYS 9 Ca -0.05 -0.58 -0.08 0.00 -2.87 0.00 0.00 58.31 54.73 1dgn n LYS 9 Cb 0.67 -1.39 0.05 0.00 -1.84 0.00 0.00 35.03 32.51 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 0.82 1.02 0.00 1.97 2.43 0.32 -1.68 114.38 119.27 1dgn h ARG 10 Ca 0.00 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1dgn h ARG 10 Cb 0.51 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1dgn h ARG 10 CO 0.05 1.01 -0.47 0.07 -1.51 0.00 0.00 179.97 179.13 1dgn h ARG 11 N 0.93 0.00 0.02 0.20 0.11 -1.82 -2.93 114.38 110.90 1dgn h ARG 11 Ca 0.16 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.24 1dgn h ARG 11 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1dgn h ARG 11 CO 0.03 0.47 -0.01 0.82 0.10 0.00 0.00 179.97 181.38 1dgn h ILE 12 N 0.00 0.00 -0.40 0.08 2.04 -1.75 -2.96 117.51 114.52 1dgn h ILE 12 Ca -0.00 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1dgn h ILE 12 Cb 1.13 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.12 1dgn h ILE 12 CO 0.06 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 178.05 1dgn h PHE 13 N -0.10 -0.87 -0.44 1.37 3.57 -1.47 -1.76 116.94 117.24 1dgn h PHE 13 Ca -0.00 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1dgn h PHE 13 Cb 0.02 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 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 -0.24 0.56 -1.17 1.41 2.10 -1.69 0.19 117.51 118.65 1dgn h ILE 14 Ca 0.17 0.00 -0.59 0.00 1.08 0.00 0.00 64.86 65.53 1dgn h ILE 14 Cb 0.53 0.56 -0.17 0.00 -1.09 0.00 0.00 36.82 36.65 1dgn h ILE 14 CO -0.53 0.00 0.99 1.41 -1.08 0.00 0.00 178.15 178.94 1dgn n HIS 15 N -5.33 1.97 0.00 2.19 8.25 -0.68 -4.04 115.22 117.58 1dgn n HIS 15 Ca 0.03 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 1dgn n HIS 15 Cb 0.24 -1.49 0.00 0.00 1.12 0.00 0.00 29.99 29.86 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 1.01 0.00 -4.68 0.41 7.64 -0.86 -4.88 113.62 112.26 1dgn n SER 16 Ca 0.53 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.95 1dgn n SER 16 Cb 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.00 0.37 -2.97 0.44 3.14 0.60 -4.95 118.33 113.96 1dgn n VAL 17 Ca 0.00 -0.07 -0.36 0.00 -2.96 0.00 0.00 64.34 60.96 1dgn n VAL 17 Cb 0.00 -1.86 -0.06 0.00 -1.06 0.00 0.00 33.84 30.85 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 2.84 2.61 0.54 7.55 0.00 -1.26 -4.92 107.32 114.68 1dgn s GLY 18 Ca 0.86 0.29 0.42 0.00 0.00 0.00 0.00 44.72 46.30 1dgn s GLY 18 CO 0.44 0.65 1.68 0.00 0.00 0.00 0.00 173.10 175.86 1dgn h ALA 19 N 3.01 3.44 0.24 3.20 0.00 -1.99 -1.61 119.26 125.55 1dgn h ALA 19 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1dgn h ALA 19 Cb 1.19 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1dgn h ALA 19 CO 0.65 -1.91 -0.11 0.78 0.00 0.00 0.00 179.25 178.65 1dgn h GLY 20 N 0.02 -0.33 -1.08 0.00 0.00 -2.01 -3.29 103.07 96.37 1dgn h GLY 20 Ca 0.77 0.12 0.43 0.00 0.00 0.00 0.00 47.33 48.65 1dgn h GLY 20 CO -0.05 -0.12 0.83 -0.84 0.00 0.00 0.00 176.54 176.36 1dgn h THR 21 N -0.69 0.12 0.17 4.70 2.02 -1.67 0.66 112.91 118.22 1dgn h THR 21 Ca -0.03 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1dgn h THR 21 Cb 0.25 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 1dgn h THR 21 CO 0.05 0.02 -0.39 0.40 0.37 0.00 0.00 175.52 175.97 1dgn h ILE 22 N 0.09 0.21 -1.00 3.11 2.04 -1.54 0.73 117.51 121.15 1dgn h ILE 22 Ca 0.82 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.79 1dgn h ILE 22 Cb 2.53 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 38.74 1dgn h ILE 22 CO -0.44 0.00 0.63 -1.13 0.00 0.00 0.00 178.15 177.21 1dgn h ASN 23 N -0.65 0.93 1.00 1.72 -0.00 -0.95 0.66 115.58 118.28 1dgn h ASN 23 Ca 0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.24 1dgn h ASN 23 Cb 0.66 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.82 1dgn h ASN 23 CO -0.19 0.51 -0.58 0.00 -0.00 0.00 0.00 177.43 177.16 1dgn h ALA 24 N 1.53 0.78 0.16 1.57 0.00 -1.22 -2.84 119.26 119.23 1dgn h ALA 24 Ca 0.49 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dgn h ALA 24 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dgn h ALA 24 CO -0.25 0.73 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 1dgn h LEU 25 N 0.00 -0.18 -2.11 0.00 7.12 0.20 -3.04 115.31 117.30 1dgn h LEU 25 Ca -0.01 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 57.90 1dgn h LEU 25 Cb 1.24 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1dgn h LEU 25 CO 0.08 0.35 0.12 0.17 -0.13 0.00 0.00 178.44 179.03 1dgn h LEU 26 N -1.02 0.00 -0.12 2.25 8.10 -1.06 -1.51 115.31 121.95 1dgn h LEU 26 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1dgn h LEU 26 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1dgn h LEU 26 CO 0.04 0.00 0.04 -0.78 -4.11 0.00 0.00 178.44 173.63 1dgn h ASP 27 N 0.00 0.17 -0.59 0.17 1.82 -1.57 -2.94 116.42 113.48 1dgn h ASP 27 Ca 0.07 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1dgn h ASP 27 Cb 0.31 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 1dgn h ASP 27 CO -0.00 0.31 0.39 0.00 -1.61 0.00 0.00 179.24 178.33 1dgn h LEU 29 N 0.80 -0.33 -0.64 0.00 3.38 -1.30 0.23 115.31 117.46 1dgn h LEU 29 Ca 0.22 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.46 1dgn h LEU 29 Cb -0.09 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1dgn h LEU 29 CO -0.05 -0.15 0.26 -0.07 0.09 0.00 0.00 178.44 178.52 1dgn h LEU 30 N 0.11 0.28 -1.15 1.67 3.38 -1.29 0.08 115.31 118.38 1dgn h LEU 30 Ca 0.38 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.66 1dgn h LEU 30 Cb 0.64 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1dgn h LEU 30 CO -0.61 0.16 0.62 -0.08 0.09 0.00 0.00 178.44 178.62 1dgn h GLU 31 N 0.45 0.53 0.00 1.13 4.81 -0.45 0.97 114.58 122.01 1dgn h GLU 31 Ca 0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1dgn h GLU 31 Cb 0.39 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1dgn h GLU 31 CO -0.30 0.35 0.00 -0.44 -0.73 0.00 0.00 179.01 177.89 1dgn h ASP 32 N 0.55 0.00 -2.36 1.04 5.19 -0.75 -3.47 116.42 116.62 1dgn h ASP 32 Ca 0.61 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.73 1dgn h ASP 32 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1dgn h ASP 32 CO -0.39 0.00 -0.39 -0.62 -3.12 0.00 0.00 179.24 174.73 1dgn n GLU 33 N -3.05 -1.68 0.02 3.56 1.02 0.33 -4.92 120.64 115.92 1dgn n GLU 33 Ca 0.03 0.70 -0.19 0.00 -0.02 0.00 0.00 57.16 57.68 1dgn n GLU 33 Cb 0.47 -5.01 -0.11 0.00 -0.02 0.00 0.00 31.44 26.78 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 -0.22 1.34 -2.78 2.62 3.04 -1.79 -3.46 116.25 115.00 1dgn h VAL 34 Ca -0.35 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 63.18 1dgn h VAL 34 Cb 1.26 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.99 1dgn h VAL 34 CO 0.41 0.65 0.00 2.30 -1.01 0.00 0.00 177.57 179.92 1dgn n ILE 35 N -4.01 0.00 -3.89 3.17 -5.35 -1.26 -4.99 119.36 103.03 1dgn n ILE 35 Ca -0.11 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 1dgn n ILE 35 Cb 0.79 -1.53 -0.08 0.00 -1.74 0.00 0.00 39.64 37.08 1dgn n ILE 35 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1dgn s SER 36 N -1.00 0.16 0.58 7.28 0.01 -1.26 -5.00 113.70 114.47 1dgn s SER 36 Ca 0.00 -0.66 0.36 0.00 1.31 0.00 0.00 55.95 56.96 1dgn s SER 36 Cb 0.00 0.31 1.36 0.00 0.21 0.00 0.00 66.02 67.90 1dgn s SER 36 CO 0.00 -0.68 1.56 -0.61 0.41 0.00 0.00 173.24 173.91 1dgn h GLN 37 N 2.91 0.00 0.13 12.44 5.75 -2.00 0.52 115.11 134.87 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 1.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1dgn h GLN 37 CO 0.56 0.00 -0.06 0.93 -2.65 0.00 0.00 178.83 177.61 1dgn h GLU 38 N 0.00 -0.17 0.07 1.69 5.08 -1.99 -2.67 114.58 116.59 1dgn h GLU 38 Ca 0.60 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1dgn h GLU 38 Cb 2.82 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.11 1dgn h GLU 38 CO -0.01 0.23 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.76 1dgn h ASP 39 N -0.63 -0.08 -1.34 1.42 5.19 -0.50 -2.92 116.42 117.56 1dgn h ASP 39 Ca -0.02 -0.40 0.39 0.00 -0.62 0.00 0.00 57.03 56.38 1dgn h ASP 39 Cb 0.48 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.95 1dgn h ASP 39 CO 0.03 0.37 0.95 -0.03 -3.12 0.00 0.00 179.24 177.44 1dgn h MET 40 N -0.56 0.05 -0.05 3.56 1.85 -0.85 0.58 114.93 119.51 1dgn h MET 40 Ca -0.01 -0.00 -0.25 0.00 -0.61 0.00 0.00 59.70 58.83 1dgn h MET 40 Cb 0.48 -0.01 0.02 0.00 0.43 0.00 0.00 31.60 32.51 1dgn h MET 40 CO 0.02 0.03 -0.95 -0.91 -0.40 0.00 0.00 176.91 174.70 1dgn h ASN 41 N 0.05 0.89 -0.52 1.39 -0.26 -1.30 -2.56 115.58 113.27 1dgn h ASN 41 Ca 0.66 -0.67 0.10 0.00 -0.56 0.00 0.00 56.30 55.83 1dgn h ASN 41 Cb 2.51 -0.27 -0.08 0.00 -1.06 0.00 0.00 38.32 39.42 1dgn h ASN 41 CO -0.07 1.47 0.04 0.50 -1.06 0.00 0.00 177.43 178.31 1dgn h LYS 42 N 0.43 0.16 -0.01 0.81 3.64 0.35 0.33 116.57 122.28 1dgn h LYS 42 Ca -0.10 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1dgn h LYS 42 Cb 1.59 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1dgn h LYS 42 CO 0.19 0.10 -0.03 0.28 -2.27 0.00 0.00 179.45 177.72 1dgn h VAL 43 N 0.16 1.48 0.00 2.00 2.07 -1.61 -3.06 116.25 117.29 1dgn h VAL 43 Ca 0.26 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1dgn h VAL 43 Cb 0.39 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1dgn h VAL 43 CO -0.40 0.38 0.00 -0.09 0.02 0.00 0.00 177.57 177.48 1dgn h ARG 44 N -0.56 0.00 0.00 1.57 1.12 -1.14 -0.83 114.38 114.55 1dgn h ARG 44 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1dgn h ARG 44 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1dgn h ARG 44 CO 0.01 0.00 0.00 0.22 -3.11 0.00 0.00 179.97 177.09 1dgn h ASP 45 N 0.00 0.00 -5.40 -3.80 3.58 -0.24 -3.47 116.42 107.09 1dgn h ASP 45 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1dgn h ASP 45 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1dgn h ASP 45 CO 0.00 0.00 -0.93 -0.62 -2.88 0.00 0.00 179.24 174.81 1dgn n GLU 46 N -2.66 -2.81 0.06 0.28 1.02 -0.32 -4.98 120.64 111.23 1dgn n GLU 46 Ca -0.01 2.35 -0.04 0.00 -0.02 0.00 0.00 57.16 59.45 1dgn n GLU 46 Cb 0.11 -4.66 -0.02 0.00 -0.02 0.00 0.00 31.44 26.85 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 2.96 -0.20 0.00 1.62 2.35 -1.85 -3.50 115.58 116.95 1dgn h ASN 47 Ca -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1dgn h ASN 47 Cb 0.35 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1dgn h ASN 47 CO 0.10 0.20 0.00 0.47 -1.65 0.00 0.00 177.43 176.55 1dgn n ASP 48 N -4.58 4.20 -4.62 5.81 9.92 -1.26 -5.06 116.55 120.96 1dgn n ASP 48 Ca -0.03 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.94 1dgn n ASP 48 Cb 0.10 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 40.77 1dgn n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1dgn s THR 49 N -0.15 2.18 0.29 -3.53 2.01 -1.26 -4.52 115.64 110.67 1dgn s THR 49 Ca 0.00 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1dgn s THR 49 Cb 0.00 -2.35 0.37 0.00 0.01 0.00 0.00 72.50 70.53 1dgn s THR 49 CO 0.00 -0.08 1.59 0.58 -0.69 0.00 0.00 174.62 176.03 1dgn h VAL 50 N -2.10 0.13 -1.12 3.82 2.07 -1.97 0.52 116.25 117.60 1dgn h VAL 50 Ca -0.55 -0.02 0.37 0.00 0.82 0.00 0.00 66.70 67.32 1dgn h VAL 50 Cb 1.32 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 31.02 1dgn h VAL 50 CO 0.53 0.01 0.68 0.24 0.02 0.00 0.00 177.57 179.05 1dgn h MET 51 N 0.05 0.20 0.09 1.57 2.07 -1.90 0.47 114.93 117.49 1dgn h MET 51 Ca 0.54 -0.01 -0.21 0.00 -2.07 0.00 0.00 59.70 57.95 1dgn h MET 51 Cb 1.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.75 1dgn h MET 51 CO -0.84 0.13 -1.04 0.22 1.07 0.00 0.00 176.91 176.46 1dgn h ASP 52 N 0.21 0.30 0.28 1.22 1.82 -0.27 -3.02 116.42 116.95 1dgn h ASP 52 Ca 0.76 -0.86 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1dgn h ASP 52 Cb 2.04 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.95 1dgn h ASP 52 CO -0.52 1.45 -0.06 0.11 -1.61 0.00 0.00 179.24 178.62 1dgn h LYS 53 N -0.51 0.00 0.00 0.28 1.57 -0.46 -2.94 116.57 114.51 1dgn h LYS 53 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1dgn h LYS 53 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1dgn h LYS 53 CO 0.04 0.06 -0.27 0.00 -0.57 0.00 0.00 179.45 178.70 1dgn h ALA 54 N 1.94 0.04 -0.99 3.86 0.00 -0.26 -2.91 119.26 120.94 1dgn h ALA 54 Ca -0.00 -0.44 0.31 0.00 0.00 0.00 0.00 54.91 54.78 1dgn h ALA 54 Cb 0.21 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 1dgn h ALA 54 CO 0.01 0.19 0.52 -0.09 0.00 0.00 0.00 179.25 179.88 1dgn h ARG 55 N -1.00 0.29 0.04 0.00 2.43 -1.45 0.25 114.38 114.94 1dgn h ARG 55 Ca -0.05 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 1dgn h ARG 55 Cb 0.63 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1dgn h ARG 55 CO -0.03 0.20 -1.05 -0.39 -1.51 0.00 0.00 179.97 177.19 1dgn h VAL 56 N 0.30 1.30 -0.25 0.20 -1.51 -1.66 -2.69 116.25 111.94 1dgn h VAL 56 Ca 0.71 -2.29 -0.00 0.00 -1.23 0.00 0.00 66.70 63.89 1dgn h VAL 56 Cb 1.61 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 33.27 1dgn h VAL 56 CO -0.62 0.70 0.14 0.25 -1.23 0.00 0.00 177.57 176.81 1dgn h LEU 57 N 0.29 0.32 -1.28 4.19 5.85 -0.45 0.20 115.31 124.42 1dgn h LEU 57 Ca -0.14 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1dgn h LEU 57 Cb 1.71 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1dgn h LEU 57 CO 0.20 0.31 -0.32 -0.29 -0.34 0.00 0.00 178.44 178.00 1dgn h ILE 58 N 0.30 0.95 0.08 4.05 2.10 -0.89 -2.83 117.51 121.28 1dgn h ILE 58 Ca 0.09 -1.20 -0.19 0.00 1.08 0.00 0.00 64.86 64.64 1dgn h ILE 58 Cb 0.06 1.70 0.02 0.00 -1.09 0.00 0.00 36.82 37.51 1dgn h ILE 58 CO -0.01 0.31 -0.77 -0.78 -1.08 0.00 0.00 178.15 175.81 1dgn h ASP 59 N 0.00 0.54 -0.81 2.19 1.82 -1.09 -3.11 116.42 115.97 1dgn h ASP 59 Ca -0.00 -0.86 0.05 0.00 -0.39 0.00 0.00 57.03 55.83 1dgn h ASP 59 Cb 0.68 -0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 1dgn h ASP 59 CO 0.04 1.34 0.50 -0.07 -1.61 0.00 0.00 179.24 179.44 1dgn h LEU 60 N -0.18 0.80 0.68 2.28 3.38 -0.55 -2.38 115.31 119.34 1dgn h LEU 60 Ca -0.12 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1dgn h LEU 60 Cb 1.53 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.13 1dgn h LEU 60 CO 0.15 0.52 -0.33 0.58 0.09 0.00 0.00 178.44 179.45 1dgn h VAL 61 N 0.93 0.30 0.00 1.22 2.07 -1.59 -2.07 116.25 117.10 1dgn h VAL 61 Ca 0.34 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1dgn h VAL 61 Cb 0.11 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1dgn h VAL 61 CO -0.15 0.01 0.15 0.41 0.02 0.00 0.00 177.57 178.01 1dgn n THR 62 N -5.46 1.08 -0.04 2.57 -1.04 -1.11 -1.77 114.28 108.51 1dgn n THR 62 Ca -0.13 0.65 -0.12 0.00 -2.04 0.00 0.00 64.05 62.41 1dgn n THR 62 Cb 0.38 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 1dgn n THR 62 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1dgn h GLY 63 N 0.00 0.25 -1.83 3.41 0.00 -0.84 -2.82 103.07 101.24 1dgn h GLY 63 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1dgn h GLY 63 CO 0.00 0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.99 1dgn n LYS 64 N -4.78 0.82 -0.14 4.80 4.01 -0.73 -4.95 118.16 117.20 1dgn n LYS 64 Ca -0.06 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.76 1dgn n LYS 64 Cb 0.21 -1.15 -0.01 0.00 -0.51 0.00 0.00 35.03 33.58 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dgn n GLY 65 N 0.50 -1.48 0.00 0.72 0.00 -1.06 -4.25 105.19 99.62 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 -1.61 0.34 -0.24 1.61 -0.04 -1.26 -3.24 135.00 130.56 1dgn n PRO 66 Ca -0.00 0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1dgn n PRO 66 Cb 0.06 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.92 -0.44 0.54 3.11 -1.95 -2.31 116.57 116.45 1dgn h LYS 67 Ca 0.00 -0.10 -0.06 0.00 -2.81 0.00 0.00 60.65 57.68 1dgn h LYS 67 Cb 0.18 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1dgn h LYS 67 CO 0.00 0.68 0.02 1.03 -2.81 0.00 0.00 179.45 178.37 1dgn h SER 68 N 0.91 0.66 -1.16 4.20 0.87 -1.73 -2.96 113.55 114.33 1dgn h SER 68 Ca 0.24 -0.14 0.41 0.00 -1.23 0.00 0.00 61.79 61.06 1dgn h SER 68 Cb 0.01 -0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 61.65 1dgn h SER 68 CO -0.04 0.72 0.70 0.00 -0.53 0.00 0.00 176.83 177.68 1dgn h LYS 71 N -0.72 0.00 0.19 0.00 1.79 -1.32 -1.69 116.57 114.83 1dgn h LYS 71 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1dgn h LYS 71 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1dgn h LYS 71 CO -0.07 0.00 -0.09 0.35 -1.08 0.00 0.00 179.45 178.56 1dgn h PHE 72 N 0.00 -0.24 -0.83 -1.35 3.04 -0.64 -0.76 116.94 116.17 1dgn h PHE 72 Ca 0.04 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1dgn h PHE 72 Cb 0.20 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 1dgn h PHE 72 CO 0.00 0.17 0.49 0.82 -2.02 0.00 0.00 178.31 177.77 1dgn h ILE 73 N -0.79 1.23 0.40 1.41 2.04 -0.43 -1.08 117.51 120.29 1dgn h ILE 73 Ca -0.03 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1dgn h ILE 73 Cb 0.52 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1dgn h ILE 73 CO 0.04 0.25 -0.19 0.11 0.00 0.00 0.00 178.15 178.36 1dgn h LYS 74 N 1.14 -0.51 -0.58 2.37 1.57 -1.39 -2.31 116.57 116.85 1dgn h LYS 74 Ca 0.30 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.28 1dgn h LYS 74 Cb -0.03 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1dgn h LYS 74 CO -0.05 -0.20 0.42 0.45 -0.57 0.00 0.00 179.45 179.50 1dgn h HIS 75 N -0.94 0.00 -0.03 -1.35 3.86 -1.10 0.18 115.15 115.76 1dgn h HIS 75 Ca -0.05 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.98 1dgn h HIS 75 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1dgn h HIS 75 CO 0.02 0.00 -0.75 1.25 0.86 0.00 0.00 177.93 179.31 1dgn h LEU 76 N 0.00 0.27 -0.31 2.43 5.85 -1.11 -2.79 115.31 119.66 1dgn h LEU 76 Ca 0.28 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1dgn h LEU 76 Cb 1.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1dgn h LEU 76 CO -0.00 0.93 0.16 0.00 -0.34 0.00 0.00 178.44 179.18 1dgn h GLU 78 N 0.33 0.00 0.10 0.00 -0.00 -1.59 -3.28 114.58 110.14 1dgn h GLU 78 Ca 0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.20 1dgn h GLU 78 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 1dgn h GLU 78 CO -0.08 0.34 -1.42 0.93 -0.00 0.00 0.00 179.01 178.78 1dgn h GLU 79 N 0.00 0.21 -2.33 1.06 4.39 -1.18 -3.45 114.58 113.29 1dgn h GLU 79 Ca -0.00 -0.36 -0.32 0.00 0.34 0.00 0.00 59.36 59.01 1dgn h GLU 79 Cb 1.13 0.13 -0.34 0.00 -0.10 0.00 0.00 28.75 29.57 1dgn h GLU 79 CO 0.04 1.09 -0.63 0.34 -1.16 0.00 0.00 179.01 178.70 1dgn s ASP 80 N -6.93 1.53 0.30 1.42 -1.08 0.95 -4.95 116.67 107.91 1dgn s ASP 80 Ca -0.06 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.75 1dgn s ASP 80 Cb 0.07 0.45 0.55 0.00 -1.46 0.00 0.00 42.92 42.54 1dgn s ASP 80 CO 0.86 -0.36 1.64 1.55 0.52 0.00 0.00 175.17 179.38 1dgn h PRO 81 N 8.29 0.00 0.00 4.34 0.13 -1.79 -2.88 132.00 140.09 1dgn h PRO 81 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1dgn h PRO 81 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1dgn h PRO 81 CO 0.31 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.02 1dgn n GLN 82 N -2.61 0.00 -0.31 0.86 0.00 -1.26 -3.63 117.38 110.43 1dgn n GLN 82 Ca 0.05 0.38 0.07 0.00 -0.00 0.00 0.00 57.00 57.50 1dgn n GLN 82 Cb 0.48 -1.04 0.22 0.00 0.00 0.00 0.00 30.24 29.90 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 0.64 0.00 1.69 5.85 -1.97 0.35 115.31 121.87 1dgn h LEU 83 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1dgn h LEU 83 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1dgn h LEU 83 CO 0.00 0.29 0.20 0.00 -0.34 0.00 0.00 178.44 178.60 1dgn n ALA 84 N -2.39 0.59 -0.04 1.25 0.00 -1.09 -0.60 120.51 118.23 1dgn n ALA 84 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 1dgn n ALA 84 Cb 0.41 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 0.20 -0.06 0.00 0.87 -0.35 2.18 113.55 116.39 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 0.41 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1dgn h SER 85 CO 0.00 0.45 0.00 0.29 -0.53 0.00 0.00 176.83 177.04 1dgn n LYS 86 N -4.81 1.21 -0.09 2.24 5.02 0.23 -2.82 118.16 119.14 1dgn n LYS 86 Ca -0.06 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1dgn n LYS 86 Cb 0.20 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.19 0.00 -1.52 1.97 2.81 -0.82 -4.90 117.12 114.47 1dgn n MET 87 Ca 0.02 -0.43 -0.36 0.00 -1.81 0.00 0.00 57.70 55.12 1dgn n MET 87 Cb 0.15 -0.36 0.07 0.00 -0.71 0.00 0.00 33.22 32.37 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 5.78 0.36 3.03 0.00 0.73 -4.79 105.19 110.30 1dgn n GLY 88 Ca 0.00 -2.37 0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.80 0.10 0.00 0.99 7.99 -1.26 -5.00 117.00 119.01 1dgn n LEU 89 Ca 0.60 0.85 0.00 0.00 -0.01 0.00 0.00 56.01 57.45 1dgn n LEU 89 Cb 0.53 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1dgn n LEU 89 CO 0.71 -0.91 0.05 1.57 -1.51 0.00 0.00 177.39 177.29