#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyk n LYS 4 N 0.00 0.00 0.04 1.47 4.81 -1.26 -4.72 118.16 118.50 2gyk n LYS 4 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 2gyk n LYS 4 Cb 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 35.03 34.70 2gyk n LYS 4 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2gyk h HIS 5 N 0.00 0.00 -3.17 5.64 3.86 -2.03 -3.48 115.15 115.97 2gyk h HIS 5 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2gyk h HIS 5 Cb 0.26 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.64 2gyk h HIS 5 CO 0.00 0.90 0.12 -1.54 0.86 0.00 0.00 177.93 178.27 2gyk s SER 6 N -6.37 -0.32 0.44 2.45 1.04 -1.26 -4.96 113.70 104.71 2gyk s SER 6 Ca -0.01 -0.44 0.12 0.00 0.48 0.00 0.00 55.95 56.10 2gyk s SER 6 Cb 0.09 0.63 0.97 0.00 0.10 0.00 0.00 66.02 67.80 2gyk s SER 6 CO 0.81 -1.13 2.01 -0.29 0.98 0.00 0.00 173.24 175.63 2gyk h ILE 7 N 2.10 1.11 0.00 -1.02 2.10 -1.93 -1.04 117.51 118.83 2gyk h ILE 7 Ca -0.27 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.21 2gyk h ILE 7 Cb 1.27 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2gyk h ILE 7 CO 0.33 0.15 0.00 -1.54 -1.08 0.00 0.00 178.15 176.01 2gyk n SER 8 N -4.38 0.19 0.01 2.19 3.41 -1.25 -1.50 113.62 112.28 2gyk n SER 8 Ca -0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 2gyk n SER 8 Cb 0.19 -0.60 0.50 0.00 -0.26 0.00 0.00 64.21 64.04 2gyk n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gyk n ASP 9 N -1.73 0.19 -4.66 4.04 10.43 -0.39 -3.49 116.55 120.94 2gyk n ASP 9 Ca 0.02 0.28 -0.35 0.00 2.57 0.00 0.00 54.79 57.31 2gyk n ASP 9 Cb 0.12 -0.29 -0.09 0.00 1.84 0.00 0.00 41.12 42.70 2gyk n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2gyk s TYR 10 N -3.01 3.25 0.90 1.24 1.51 -0.56 -4.79 117.35 115.89 2gyk s TYR 10 Ca 0.13 0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 2gyk s TYR 10 Cb 0.18 -1.97 0.13 0.00 -0.11 0.00 0.00 41.96 40.20 2gyk s TYR 10 CO 0.59 0.30 1.09 0.95 -1.11 0.00 0.00 175.55 177.36 2gyk s THR 11 N -0.16 2.65 0.22 -0.71 -4.23 -1.26 -1.11 115.64 111.04 2gyk s THR 11 Ca 0.07 0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2gyk s THR 11 Cb -0.12 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.25 2gyk s THR 11 CO 0.01 -0.27 1.82 -0.08 -0.54 0.00 0.00 174.62 175.56 2gyk h GLU 12 N -1.59 0.75 -0.79 3.99 4.81 -1.91 -0.90 114.58 118.92 2gyk h GLU 12 Ca -0.49 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 2gyk h GLU 12 Cb 1.28 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2gyk h GLU 12 CO 0.53 0.49 0.40 0.00 -0.73 0.00 0.00 179.01 179.70 2gyk h ALA 13 N 1.36 1.02 -0.83 2.92 0.00 -1.94 0.30 119.26 122.09 2gyk h ALA 13 Ca 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2gyk h ALA 13 Cb 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2gyk h ALA 13 CO -0.18 0.56 0.39 0.93 0.00 0.00 0.00 179.25 180.96 2gyk h GLU 14 N 1.11 1.19 -0.32 0.00 5.08 -1.79 -1.70 114.58 118.14 2gyk h GLU 14 Ca 0.27 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 2gyk h GLU 14 Cb 0.09 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2gyk h GLU 14 CO -0.04 0.91 -0.44 0.35 -1.00 0.00 0.00 179.01 178.80 2gyk h PHE 15 N 1.18 1.01 -0.78 4.33 3.57 -0.73 -2.24 116.94 123.27 2gyk h PHE 15 Ca 0.28 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2gyk h PHE 15 Cb 0.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2gyk h PHE 15 CO 0.01 1.11 0.52 1.25 -2.23 0.00 0.00 178.31 178.98 2gyk h LEU 16 N 0.67 0.90 -0.42 0.59 5.85 -0.80 -0.76 115.31 121.34 2gyk h LEU 16 Ca 0.04 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2gyk h LEU 16 Cb 1.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2gyk h LEU 16 CO 0.10 0.65 0.21 -0.61 -0.34 0.00 0.00 178.44 178.45 2gyk h GLN 17 N 1.06 0.60 -0.16 1.25 -0.00 -0.98 -0.10 115.11 116.78 2gyk h GLN 17 Ca 0.29 -0.08 0.02 0.00 -0.00 0.00 0.00 58.65 58.88 2gyk h GLN 17 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.23 2gyk h GLN 17 CO -0.06 0.50 0.01 1.25 0.00 0.00 0.00 178.83 180.53 2gyk h LEU 18 N 0.54 -0.04 -0.82 -2.39 5.85 -0.89 -0.73 115.31 116.84 2gyk h LEU 18 Ca 0.15 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2gyk h LEU 18 Cb 0.10 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2gyk h LEU 18 CO -0.02 0.00 0.30 0.58 -0.34 0.00 0.00 178.44 178.96 2gyk h VAL 19 N 0.07 1.26 -0.47 1.05 2.07 -0.98 -2.07 116.25 117.18 2gyk h VAL 19 Ca 0.07 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2gyk h VAL 19 Cb 0.08 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2gyk h VAL 19 CO -0.12 0.34 0.23 0.74 0.02 0.00 0.00 177.57 178.78 2gyk h THR 20 N 1.14 1.18 -0.51 2.57 2.02 -0.80 0.19 112.91 118.70 2gyk h THR 20 Ca 0.26 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 66.99 2gyk h THR 20 Cb 0.24 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 2gyk h THR 20 CO -0.02 0.20 0.20 0.74 0.37 0.00 0.00 175.52 177.01 2gyk h THR 21 N 0.61 0.85 0.06 3.16 2.02 -0.86 -1.35 112.91 117.41 2gyk h THR 21 Ca 0.16 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2gyk h THR 21 Cb 0.11 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2gyk h THR 21 CO -0.02 0.07 -0.03 0.40 0.37 0.00 0.00 175.52 176.31 2gyk h ILE 22 N 0.39 1.13 -0.15 3.11 2.04 -0.96 -0.85 117.51 122.22 2gyk h ILE 22 Ca 0.24 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2gyk h ILE 22 Cb 0.24 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2gyk h ILE 22 CO -0.23 0.16 0.11 0.00 0.00 0.00 0.00 178.15 178.19 2gyk n ASN 24 N -4.40 1.35 -3.41 0.00 3.02 -0.53 -4.94 115.26 106.35 2gyk n ASN 24 Ca 0.01 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.15 2gyk n ASN 24 Cb 0.24 0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2gyk n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gyk n ALA 25 N -0.30 -1.10 -1.46 5.41 0.00 -0.32 -4.85 120.51 117.90 2gyk n ALA 25 Ca 0.13 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 2gyk n ALA 25 Cb 0.38 -3.62 -0.02 0.00 0.00 0.00 0.00 19.45 16.19 2gyk n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gyk n ASP 26 N -2.51 8.13 -4.23 0.00 2.03 -0.38 -4.85 116.55 114.74 2gyk n ASP 26 Ca -0.03 -2.68 -0.13 0.00 0.52 0.00 0.00 54.79 52.47 2gyk n ASP 26 Cb 0.56 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.32 2gyk n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gyk s THR 27 N 1.79 0.91 -0.17 5.18 -4.23 -1.26 -4.94 115.64 112.91 2gyk s THR 27 Ca 0.65 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 2gyk s THR 27 Cb 0.18 -1.87 0.36 0.00 1.34 0.00 0.00 72.50 72.51 2gyk s THR 27 CO -0.07 -0.71 1.81 0.28 -0.54 0.00 0.00 174.62 175.39 2gyk h SER 28 N 2.81 0.00 -5.10 3.99 0.02 -1.99 -3.46 113.55 109.82 2gyk h SER 28 Ca -0.36 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 2gyk h SER 28 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.56 2gyk h SER 28 CO 0.64 0.00 -0.41 -0.94 -1.14 0.00 0.00 176.83 174.98 2gyk s SER 29 N -5.83 0.09 0.17 3.07 1.04 -1.26 -5.05 113.70 105.93 2gyk s SER 29 Ca 0.04 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2gyk s SER 29 Cb 0.07 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2gyk s SER 29 CO 0.59 -0.60 1.79 -0.08 0.98 0.00 0.00 173.24 175.92 2gyk h GLU 30 N 3.29 0.75 -0.56 4.02 4.81 -1.99 -2.89 114.58 122.01 2gyk h GLU 30 Ca -0.33 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2gyk h GLU 30 Cb 1.19 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2gyk h GLU 30 CO 0.51 0.56 0.37 1.49 -0.73 0.00 0.00 179.01 181.22 2gyk h GLU 31 N 0.73 0.73 -0.54 1.92 4.57 -1.99 -0.15 114.58 119.84 2gyk h GLU 31 Ca 0.19 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 2gyk h GLU 31 Cb 0.03 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2gyk h GLU 31 CO -0.03 0.48 -0.08 0.93 -1.18 0.00 0.00 179.01 179.13 2gyk h GLU 32 N 0.75 1.00 -0.39 1.92 5.08 -1.95 -1.40 114.58 119.60 2gyk h GLU 32 Ca 0.21 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2gyk h GLU 32 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2gyk h GLU 32 CO -0.05 1.03 0.22 1.25 -1.00 0.00 0.00 179.01 180.46 2gyk h LEU 33 N 0.90 0.48 -0.77 1.33 5.85 -1.05 -1.59 115.31 120.46 2gyk h LEU 33 Ca 0.15 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2gyk h LEU 33 Cb 0.64 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2gyk h LEU 33 CO 0.04 0.42 0.48 0.58 -0.34 0.00 0.00 178.44 179.62 2gyk h VAL 34 N 0.50 1.08 -0.87 1.05 2.07 -0.91 -1.63 116.25 117.53 2gyk h VAL 34 Ca 0.14 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2gyk h VAL 34 Cb 0.05 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 2gyk h VAL 34 CO -0.02 0.17 0.44 0.11 0.02 0.00 0.00 177.57 178.28 2gyk h LYS 35 N 0.92 1.24 -0.71 1.57 1.57 -1.00 -0.58 116.57 119.58 2gyk h LYS 35 Ca 0.32 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2gyk h LYS 35 Cb 0.06 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2gyk h LYS 35 CO -0.13 0.94 0.23 -0.07 -0.57 0.00 0.00 179.45 179.85 2gyk h LEU 36 N 1.24 1.02 -0.48 2.94 3.38 -0.86 -0.98 115.31 121.56 2gyk h LEU 36 Ca 0.30 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2gyk h LEU 36 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2gyk h LEU 36 CO -0.04 0.94 -0.03 0.58 0.09 0.00 0.00 178.44 179.98 2gyk h VAL 37 N 1.06 1.27 -0.60 1.22 2.07 -0.76 0.87 116.25 121.37 2gyk h VAL 37 Ca 0.23 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2gyk h VAL 37 Cb 0.28 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2gyk h VAL 37 CO -0.01 0.39 0.36 0.74 0.02 0.00 0.00 177.57 179.07 2gyk h THR 38 N 0.72 1.05 -0.45 2.57 2.02 -0.99 -1.10 112.91 116.74 2gyk h THR 38 Ca 0.13 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2gyk h THR 38 Cb 0.55 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2gyk h THR 38 CO 0.03 0.13 0.24 -0.74 0.37 0.00 0.00 175.52 175.54 2gyk h HIS 39 N 0.70 0.62 -0.55 3.16 6.17 -0.89 -1.74 115.15 122.62 2gyk h HIS 39 Ca 0.25 -0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.41 2gyk h HIS 39 Cb 0.05 -0.20 -0.09 0.00 2.52 0.00 0.00 27.41 29.70 2gyk h HIS 39 CO -0.06 0.48 0.06 0.35 0.71 0.00 0.00 177.93 179.47 2gyk h PHE 40 N 0.58 0.07 -0.75 5.26 3.04 -0.44 0.66 116.94 125.36 2gyk h PHE 40 Ca 0.16 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 2gyk h PHE 40 Cb 0.07 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 2gyk h PHE 40 CO -0.02 -0.08 0.25 0.93 -2.02 0.00 0.00 178.31 177.38 2gyk h GLU 41 N 0.18 1.15 -0.11 1.11 5.08 -0.64 -1.72 114.58 119.62 2gyk h GLU 41 Ca 0.28 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 2gyk h GLU 41 Cb 0.43 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2gyk h GLU 41 CO -0.42 0.96 -0.81 0.93 -1.00 0.00 0.00 179.01 178.68 2gyk h GLU 42 N 1.11 0.68 -0.17 2.33 5.08 -0.82 -2.76 114.58 120.04 2gyk h GLU 42 Ca 0.25 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2gyk h GLU 42 Cb 0.28 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2gyk h GLU 42 CO -0.01 1.19 0.02 0.52 -1.00 0.00 0.00 179.01 179.73 2gyk h MET 43 N 0.45 0.29 -0.09 2.33 2.86 -0.77 -3.33 114.93 116.66 2gyk h MET 43 Ca -0.06 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.30 2gyk h MET 43 Cb 1.43 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 2gyk h MET 43 CO 0.16 0.48 -0.75 1.79 1.06 0.00 0.00 176.91 179.65 2gyk h THR 44 N 0.06 1.35 -0.47 2.22 1.35 -1.35 -3.39 112.91 112.68 2gyk h THR 44 Ca 0.05 -2.11 -0.20 0.00 -0.55 0.00 0.00 66.41 63.60 2gyk h THR 44 Cb 0.34 2.09 -0.08 0.00 -1.73 0.00 0.00 68.15 68.76 2gyk h THR 44 CO 0.01 0.64 -0.18 -0.62 -0.25 0.00 0.00 175.52 175.11 2gyk n GLU 45 N -3.86 -1.52 -2.50 4.72 1.02 -1.04 -4.93 120.64 112.53 2gyk n GLU 45 Ca -0.05 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.50 2gyk n GLU 45 Cb 0.72 -5.13 -0.03 0.00 -0.02 0.00 0.00 31.44 26.98 2gyk n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2gyk s HIS 46 N -1.95 3.54 0.45 -0.32 2.46 -1.26 -4.92 115.29 113.28 2gyk s HIS 46 Ca 0.00 1.49 0.40 0.00 0.47 0.00 0.00 55.06 57.42 2gyk s HIS 46 Cb 0.00 -3.31 2.00 0.00 -0.13 0.00 0.00 32.58 31.14 2gyk s HIS 46 CO 0.00 -0.80 2.22 -1.00 -2.47 0.00 0.00 174.74 172.69 2gyk h PRO 47 N 6.00 0.00 0.00 2.88 0.13 -1.97 -1.61 132.00 137.43 2gyk h PRO 47 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2gyk h PRO 47 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2gyk h PRO 47 CO 0.76 0.00 -0.36 0.77 -0.23 0.00 0.00 178.00 178.95 2gyk h SER 48 N 0.00 0.00 0.00 1.44 0.02 -2.01 -3.49 113.55 109.52 2gyk h SER 48 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gyk h SER 48 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2gyk h SER 48 CO 0.00 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 2gyk n GLY 49 N 0.64 3.11 0.13 -3.77 0.00 -0.61 -1.79 105.19 102.89 2gyk n GLY 49 Ca 0.01 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2gyk n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gyk n SER 50 N 2.81 0.51 0.27 1.61 3.41 -1.26 -1.99 113.62 118.98 2gyk n SER 50 Ca 0.00 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 2gyk n SER 50 Cb 0.00 -0.77 0.71 0.00 -0.26 0.00 0.00 64.21 63.89 2gyk n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gyk h ALA 51 N 2.12 1.68 -0.63 7.33 0.00 -1.68 -1.42 119.26 126.66 2gyk h ALA 51 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2gyk h ALA 51 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2gyk h ALA 51 CO 0.00 0.07 0.42 -0.07 0.00 0.00 0.00 179.25 179.67 2gyk h LEU 52 N 0.00 0.53 0.17 0.00 3.38 -1.56 0.17 115.31 118.00 2gyk h LEU 52 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2gyk h LEU 52 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2gyk h LEU 52 CO 0.01 0.34 -1.80 0.40 0.09 0.00 0.00 178.44 177.48 2gyk h ILE 53 N 0.60 0.87 0.00 1.22 2.04 -1.49 -3.42 117.51 117.33 2gyk h ILE 53 Ca 0.27 -2.49 -0.09 0.00 1.00 0.00 0.00 64.86 63.56 2gyk h ILE 53 Cb 0.30 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 2gyk h ILE 53 CO -0.08 0.86 -1.52 -1.22 0.00 0.00 0.00 178.15 176.19 2gyk n TYR 54 N -3.55 0.00 -3.21 1.37 4.02 -0.79 -4.83 117.16 110.17 2gyk n TYR 54 Ca -0.26 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.40 2gyk n TYR 54 Cb 1.07 -0.33 -0.06 0.00 -0.02 0.00 0.00 39.34 39.99 2gyk n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2gyk n TYR 55 N -2.10 0.53 -1.97 -0.72 4.02 0.59 -5.04 117.16 112.47 2gyk n TYR 55 Ca -0.09 -3.72 -0.40 0.00 -0.01 0.00 0.00 57.90 53.69 2gyk n TYR 55 Cb 0.54 -0.40 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2gyk n TYR 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2gyk s PRO 56 N -1.74 3.93 0.65 -0.72 0.04 -1.12 -4.62 135.00 131.43 2gyk s PRO 56 Ca 0.37 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 2gyk s PRO 56 Cb 0.21 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 2gyk s PRO 56 CO -0.09 -0.56 1.10 0.15 0.04 0.00 0.00 177.00 177.64 2gyk s LYS 57 N -2.25 2.90 0.09 4.56 1.02 -1.26 -4.93 119.74 119.87 2gyk s LYS 57 Ca 0.57 1.36 -0.36 0.00 0.02 0.00 0.00 55.97 57.56 2gyk s LYS 57 Cb -0.40 -1.97 -0.16 0.00 -0.52 0.00 0.00 37.83 34.78 2gyk s LYS 57 CO 0.52 -1.17 1.42 0.39 -0.92 0.00 0.00 175.35 175.59 2gyk n GLU 58 N -2.33 1.42 0.00 1.68 -0.58 -1.26 -1.38 120.64 118.19 2gyk n GLU 58 Ca 0.10 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 2gyk n GLU 58 Cb 0.52 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 2gyk n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gyk n GLY 59 N 2.81 2.75 3.76 0.62 0.00 -1.26 -5.04 105.19 108.84 2gyk n GLY 59 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2gyk n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gyk s ASP 60 N -1.57 7.37 -0.42 1.61 -0.00 -0.48 -5.01 116.67 118.18 2gyk s ASP 60 Ca 0.00 2.06 -0.20 0.00 -0.00 0.00 0.00 52.55 54.41 2gyk s ASP 60 Cb 0.00 -2.61 0.02 0.00 -0.00 0.00 0.00 42.92 40.33 2gyk s ASP 60 CO 0.00 -0.05 0.61 -0.62 -0.00 0.00 0.00 175.17 175.11 2gyk s ASP 61 N -1.17 6.33 -0.15 0.27 -1.08 -1.26 -4.86 116.67 114.74 2gyk s ASP 61 Ca 0.45 -0.27 0.16 0.00 -0.52 0.00 0.00 52.55 52.38 2gyk s ASP 61 Cb -0.27 -2.31 0.74 0.00 -1.46 0.00 0.00 42.92 39.63 2gyk s ASP 61 CO 0.34 -0.71 1.65 -0.90 0.52 0.00 0.00 175.17 176.07 2gyk n ASP 62 N 6.12 4.99 -4.74 -0.34 3.85 -1.26 -2.94 116.55 122.23 2gyk n ASP 62 Ca -0.02 -2.59 -0.32 0.00 -0.71 0.00 0.00 54.79 51.15 2gyk n ASP 62 Cb 0.48 -0.61 0.10 0.00 -1.35 0.00 0.00 41.12 39.73 2gyk n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2gyk s SER 63 N -0.84 4.30 0.22 -1.12 1.04 -1.26 -4.80 113.70 111.24 2gyk s SER 63 Ca 0.51 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.86 2gyk s SER 63 Cb 0.35 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 64.24 2gyk s SER 63 CO 0.21 -2.18 1.67 -0.65 0.98 0.00 0.00 173.24 173.28 2gyk h PRO 64 N -0.86 0.16 -0.41 4.02 0.11 -1.91 -0.21 132.00 132.90 2gyk h PRO 64 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 2gyk h PRO 64 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2gyk h PRO 64 CO 0.50 0.11 -0.06 0.66 -0.21 0.00 0.00 178.00 178.99 2gyk h SER 65 N 0.17 0.67 -0.50 -2.05 4.64 -1.93 -1.90 113.55 112.64 2gyk h SER 65 Ca 0.33 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2gyk h SER 65 Cb 0.54 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2gyk h SER 65 CO -0.50 0.78 0.26 1.23 -0.87 0.00 0.00 176.83 177.73 2gyk h GLY 66 N 0.96 0.77 0.95 -0.77 0.00 -1.50 -1.57 103.07 101.91 2gyk h GLY 66 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2gyk h GLY 66 CO 0.03 0.35 0.10 -2.22 0.00 0.00 0.00 176.54 174.80 2gyk h ILE 67 N 0.67 1.24 -0.87 2.60 2.04 -0.89 -1.76 117.51 120.53 2gyk h ILE 67 Ca 0.18 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2gyk h ILE 67 Cb 0.09 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2gyk h ILE 67 CO -0.02 0.29 0.47 0.58 0.00 0.00 0.00 178.15 179.47 2gyk h VAL 68 N 0.59 1.25 -0.40 1.67 2.07 -1.24 -1.20 116.25 118.99 2gyk h VAL 68 Ca 0.14 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2gyk h VAL 68 Cb 0.33 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2gyk h VAL 68 CO 0.00 0.29 0.24 -1.13 0.02 0.00 0.00 177.57 176.99 2gyk h ASN 69 N 1.22 0.48 -0.48 0.57 -0.73 -1.07 0.07 115.58 115.64 2gyk h ASN 69 Ca 0.31 -0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.44 2gyk h ASN 69 Cb 0.04 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 2gyk h ASN 69 CO -0.05 0.39 0.30 0.74 -0.37 0.00 0.00 177.43 178.43 2gyk h THR 70 N 0.52 1.08 -0.05 -3.57 2.02 -1.02 0.00 112.91 111.90 2gyk h THR 70 Ca 0.14 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2gyk h THR 70 Cb -0.01 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2gyk h THR 70 CO -0.03 0.11 0.02 0.58 0.37 0.00 0.00 175.52 176.57 2gyk h VAL 71 N 0.60 1.11 -0.10 3.16 2.07 -1.00 -1.28 116.25 120.81 2gyk h VAL 71 Ca 0.19 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2gyk h VAL 71 Cb -0.02 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2gyk h VAL 71 CO -0.07 0.09 -0.12 0.50 0.02 0.00 0.00 177.57 178.00 2gyk h LYS 72 N -0.06 -0.14 -0.62 1.57 3.64 -0.78 -0.26 116.57 119.93 2gyk h LYS 72 Ca 0.02 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2gyk h LYS 72 Cb 0.13 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2gyk h LYS 72 CO -0.00 -0.10 0.04 1.96 -2.27 0.00 0.00 179.45 179.08 2gyk h GLN 73 N -0.15 1.05 -0.31 1.90 1.08 -0.99 -1.75 115.11 115.94 2gyk h GLN 73 Ca 0.08 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 2gyk h GLN 73 Cb 0.26 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2gyk h GLN 73 CO -0.19 1.00 0.03 2.35 -0.95 0.00 0.00 178.83 181.07 2gyk h TRP 74 N 0.97 0.57 -0.88 2.96 7.01 -0.95 -1.31 115.95 124.32 2gyk h TRP 74 Ca 0.18 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2gyk h TRP 74 Cb 0.50 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 2gyk h TRP 74 CO 0.03 0.63 0.52 0.00 -2.79 0.00 0.00 178.44 176.83 2gyk h ARG 75 N 0.34 1.20 -0.53 2.65 3.08 -0.95 -0.92 114.38 119.24 2gyk h ARG 75 Ca 0.09 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2gyk h ARG 75 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2gyk h ARG 75 CO 0.01 0.85 0.33 0.00 -1.07 0.00 0.00 179.97 180.09 2gyk h ALA 76 N 1.28 0.67 0.00 0.04 0.00 -1.12 -1.63 119.26 118.49 2gyk h ALA 76 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2gyk h ALA 76 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2gyk h ALA 76 CO -0.06 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2gyk h ALA 77 N 1.17 1.00 -0.14 0.00 0.00 -0.86 -3.34 119.26 117.10 2gyk h ALA 77 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2gyk h ALA 77 Cb -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2gyk h ALA 77 CO -0.04 0.00 -0.46 0.09 0.00 0.00 0.00 179.25 178.85 2gyk n ASN 78 N -2.37 2.18 -1.01 0.00 3.02 -0.39 -4.98 115.26 111.70 2gyk n ASN 78 Ca 0.05 -3.88 -0.12 0.00 -0.03 0.00 0.00 54.58 50.60 2gyk n ASN 78 Cb 0.42 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 2gyk n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gyk n GLY 79 N -1.08 1.07 3.91 7.41 0.00 -1.18 -4.98 105.19 110.35 2gyk n GLY 79 Ca 0.24 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2gyk n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gyk s LYS 80 N -3.30 3.46 0.59 1.61 -0.14 -0.63 -5.08 119.74 116.24 2gyk s LYS 80 Ca 0.00 -0.36 -0.19 0.00 -1.36 0.00 0.00 55.97 54.06 2gyk s LYS 80 Cb 0.00 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 2gyk s LYS 80 CO 0.00 0.63 1.26 -1.54 -0.76 0.00 0.00 175.35 174.95 2gyk s SER 81 N -2.23 5.08 0.05 2.83 1.04 -1.26 -4.50 113.70 114.70 2gyk s SER 81 Ca 0.32 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.29 2gyk s SER 81 Cb -0.13 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2gyk s SER 81 CO 0.23 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.38 2gyk n GLY 82 N 0.68 1.63 3.78 7.32 0.00 -1.26 -4.84 105.19 112.50 2gyk n GLY 82 Ca 0.13 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 2gyk n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gyk s PHE 83 N 1.33 2.76 0.30 1.61 0.40 -1.26 -3.94 117.98 119.17 2gyk s PHE 83 Ca 0.00 1.54 -0.29 0.00 -0.60 0.00 0.00 56.93 57.58 2gyk s PHE 83 Cb 0.00 -3.16 -0.13 0.00 0.51 0.00 0.00 43.02 40.24 2gyk s PHE 83 CO 0.00 -1.42 1.36 1.17 0.70 0.00 0.00 175.22 177.03 2gyk n LYS 84 N -1.79 2.14 -0.90 0.44 4.81 -0.27 -4.91 118.16 117.68 2gyk n LYS 84 Ca 0.10 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2gyk n LYS 84 Cb 0.52 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2gyk n LYS 84 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61