#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 1.52 0.02 1.96 2.85 -1.26 -4.59 118.16 118.65 2gyk n LYS 4 Ca 0.00 -3.16 -0.04 0.00 -1.05 0.00 0.00 58.31 54.07 2gyk n LYS 4 Cb 0.00 -1.27 -0.10 0.00 -0.65 0.00 0.00 35.03 33.01 2gyk n LYS 4 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2gyk h HIS 5 N 2.30 0.00 -3.54 5.58 2.76 -2.02 -3.49 115.15 116.74 2gyk h HIS 5 Ca -0.18 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.93 2gyk h HIS 5 Cb 1.33 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.17 2gyk h HIS 5 CO 0.42 0.77 -0.16 -1.12 -1.30 0.00 0.00 177.93 176.54 2gyk s SER 6 N -6.01 -0.12 0.28 3.26 0.01 -1.26 -4.95 113.70 104.91 2gyk s SER 6 Ca -0.03 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.74 2gyk s SER 6 Cb 0.08 0.46 0.65 0.00 0.21 0.00 0.00 66.02 67.43 2gyk s SER 6 CO 0.81 -0.87 1.69 0.40 0.41 0.00 0.00 173.24 175.68 2gyk h ILE 7 N 2.44 0.48 0.00 1.44 1.08 -1.92 -1.18 117.51 119.86 2gyk h ILE 7 Ca -0.33 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2gyk h ILE 7 Cb 1.24 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2gyk h ILE 7 CO 0.47 0.07 0.00 0.77 -0.69 0.00 0.00 178.15 178.77 2gyk h SER 8 N 0.37 0.00 1.06 1.72 4.64 -1.88 -1.10 113.55 118.36 2gyk h SER 8 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2gyk h SER 8 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2gyk h SER 8 CO -0.53 0.00 -0.26 0.47 -0.87 0.00 0.00 176.83 175.65 2gyk n ASP 9 N -2.29 0.57 -4.63 4.97 10.43 -0.44 -3.44 116.55 121.71 2gyk n ASP 9 Ca -0.00 0.31 -0.34 0.00 2.57 0.00 0.00 54.79 57.32 2gyk n ASP 9 Cb 0.10 -0.30 -0.10 0.00 1.84 0.00 0.00 41.12 42.66 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 -3.08 3.22 0.84 1.24 1.51 -0.42 -4.76 117.35 115.90 2gyk s TYR 10 Ca 0.10 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 2gyk s TYR 10 Cb 0.15 -2.03 0.10 0.00 -0.11 0.00 0.00 41.96 40.07 2gyk s TYR 10 CO 0.63 0.17 1.09 0.95 -1.11 0.00 0.00 175.55 177.29 2gyk s THR 11 N 0.19 2.96 0.22 -0.71 -4.23 -1.26 -0.99 115.64 111.82 2gyk s THR 11 Ca 0.03 0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 2gyk s THR 11 Cb -0.13 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.12 2gyk s THR 11 CO 0.01 -0.41 1.86 -0.08 -0.54 0.00 0.00 174.62 175.46 2gyk h GLU 12 N -1.37 0.93 -0.76 3.99 4.81 -1.93 -0.87 114.58 119.38 2gyk h GLU 12 Ca -0.46 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2gyk h GLU 12 Cb 1.26 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 2gyk h GLU 12 CO 0.52 0.61 0.49 0.00 -0.73 0.00 0.00 179.01 179.91 2gyk h ALA 13 N 1.33 0.99 -0.65 2.92 0.00 -1.95 0.43 119.26 122.33 2gyk h ALA 13 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2gyk h ALA 13 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2gyk h ALA 13 CO -0.12 0.31 0.11 0.93 0.00 0.00 0.00 179.25 180.48 2gyk h GLU 14 N 0.96 1.07 -0.51 0.00 5.08 -1.79 -1.70 114.58 117.69 2gyk h GLU 14 Ca 0.30 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2gyk h GLU 14 Cb -0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2gyk h GLU 14 CO -0.10 0.97 -0.09 0.35 -1.00 0.00 0.00 179.01 179.15 2gyk h PHE 15 N 1.00 1.07 -0.88 4.33 3.57 -0.67 -2.20 116.94 123.15 2gyk h PHE 15 Ca 0.20 -0.22 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2gyk h PHE 15 Cb 0.42 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 2gyk h PHE 15 CO 0.03 1.01 0.55 1.25 -2.23 0.00 0.00 178.31 178.92 2gyk h LEU 16 N 0.82 0.86 -0.51 0.59 5.85 -0.76 -1.18 115.31 120.98 2gyk h LEU 16 Ca 0.13 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2gyk h LEU 16 Cb 0.64 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2gyk h LEU 16 CO 0.04 0.54 0.19 1.56 -0.34 0.00 0.00 178.44 180.43 2gyk h GLN 17 N 0.98 0.36 -0.29 1.25 4.20 -0.90 0.18 115.11 120.89 2gyk h GLN 17 Ca 0.39 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 2gyk h GLN 17 Cb 0.21 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2gyk h GLN 17 CO -0.19 0.24 0.16 1.25 -0.67 0.00 0.00 178.83 179.62 2gyk h LEU 18 N 0.38 0.37 -0.84 1.46 5.85 -0.77 -1.54 115.31 120.22 2gyk h LEU 18 Ca 0.25 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2gyk h LEU 18 Cb 0.26 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2gyk h LEU 18 CO -0.24 0.36 -0.11 0.58 -0.34 0.00 0.00 178.44 178.68 2gyk h VAL 19 N 0.36 1.25 -0.46 1.05 2.07 -0.99 -2.16 116.25 117.37 2gyk h VAL 19 Ca 0.10 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2gyk h VAL 19 Cb 0.07 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2gyk h VAL 19 CO -0.02 0.39 0.14 0.74 0.02 0.00 0.00 177.57 178.85 2gyk h THR 20 N 0.68 1.23 -0.80 2.57 2.02 -0.72 0.02 112.91 117.90 2gyk h THR 20 Ca 0.12 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2gyk h THR 20 Cb 0.58 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 2gyk h THR 20 CO 0.04 0.27 0.51 0.74 0.37 0.00 0.00 175.52 177.45 2gyk h THR 21 N 0.62 1.13 0.36 3.16 2.02 -1.00 -1.56 112.91 117.63 2gyk h THR 21 Ca 0.15 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2gyk h THR 21 Cb 0.28 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2gyk h THR 21 CO -0.00 0.18 -0.17 0.40 0.37 0.00 0.00 175.52 176.30 2gyk h ILE 22 N 1.00 0.66 -0.47 3.11 1.08 -1.09 -0.91 117.51 120.90 2gyk h ILE 22 Ca 0.32 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 2gyk h ILE 22 Cb 0.01 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 2gyk h ILE 22 CO -0.11 0.05 0.31 0.00 -0.69 0.00 0.00 178.15 177.71 2gyk n ASN 24 N -4.48 1.52 -4.02 0.00 3.02 -0.61 -4.94 115.26 105.76 2gyk n ASN 24 Ca 0.06 -1.53 -0.30 0.00 -0.03 0.00 0.00 54.58 52.77 2gyk n ASN 24 Cb 0.19 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.19 -1.60 -2.07 5.41 0.00 -0.31 -4.83 120.51 117.30 2gyk n ALA 25 Ca 0.19 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2gyk n ALA 25 Cb 0.35 -2.83 -0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 -2.85 5.47 -4.31 0.00 2.03 -0.39 -4.86 116.55 111.63 2gyk n ASP 26 Ca -0.11 -3.01 -0.16 0.00 0.52 0.00 0.00 54.79 52.03 2gyk n ASP 26 Cb 0.59 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 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 0.96 0.58 -1.58 5.18 -4.23 -1.26 -4.95 115.64 110.34 2gyk s THR 27 Ca 0.45 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.21 2gyk s THR 27 Cb 0.13 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.47 2gyk s THR 27 CO -0.04 -0.04 1.35 -1.20 -0.54 0.00 0.00 174.62 174.16 2gyk n SER 28 N -0.45 1.14 -3.45 3.99 7.64 -1.26 -4.96 113.62 116.27 2gyk n SER 28 Ca -0.01 -0.91 -0.13 0.00 1.01 0.00 0.00 58.87 58.83 2gyk n SER 28 Cb 0.66 0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 64.16 2gyk n SER 28 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2gyk s SER 29 N -2.65 -0.58 0.22 6.43 1.04 -1.26 -5.02 113.70 111.87 2gyk s SER 29 Ca 0.18 0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 2gyk s SER 29 Cb 0.18 0.57 0.27 0.00 0.10 0.00 0.00 66.02 67.15 2gyk s SER 29 CO 0.61 -0.86 1.81 -0.08 0.98 0.00 0.00 173.24 175.70 2gyk h GLU 30 N 2.26 0.68 -0.59 4.02 4.81 -1.99 -2.34 114.58 121.42 2gyk h GLU 30 Ca -0.31 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 58.99 2gyk h GLU 30 Cb 1.26 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.40 2gyk h GLU 30 CO 0.38 0.45 0.12 1.49 -0.73 0.00 0.00 179.01 180.72 2gyk h GLU 31 N 0.70 0.24 -0.99 1.92 4.81 -1.99 -0.41 114.58 118.86 2gyk h GLU 31 Ca 0.32 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2gyk h GLU 31 Cb 0.23 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2gyk h GLU 31 CO -0.20 0.16 0.65 0.93 -0.73 0.00 0.00 179.01 179.82 2gyk h GLU 32 N 0.25 1.27 -0.17 1.92 5.08 -1.83 -1.33 114.58 119.78 2gyk h GLU 32 Ca 0.31 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2gyk h GLU 32 Cb 0.46 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2gyk h GLU 32 CO -0.40 0.84 -0.09 1.25 -1.00 0.00 0.00 179.01 179.61 2gyk h LEU 33 N 1.31 0.37 -0.81 1.33 5.85 -1.05 -2.25 115.31 120.06 2gyk h LEU 33 Ca 0.37 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2gyk h LEU 33 Cb -0.10 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2gyk h LEU 33 CO -0.09 0.71 0.47 0.58 -0.34 0.00 0.00 178.44 179.76 2gyk h VAL 34 N 0.03 0.92 -0.58 1.05 2.07 -0.94 -0.54 116.25 118.27 2gyk h VAL 34 Ca 0.04 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2gyk h VAL 34 Cb 0.57 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2gyk h VAL 34 CO 0.03 0.14 0.34 0.50 0.02 0.00 0.00 177.57 178.60 2gyk h LYS 35 N 0.79 0.63 -0.40 1.57 3.64 -1.14 -0.02 116.57 121.65 2gyk h LYS 35 Ca 0.39 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2gyk h LYS 35 Cb 0.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2gyk h LYS 35 CO -0.24 0.42 0.04 -0.07 -2.27 0.00 0.00 179.45 177.34 2gyk h LEU 36 N 0.65 0.65 -0.55 5.20 3.38 -0.78 -1.06 115.31 122.80 2gyk h LEU 36 Ca 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2gyk h LEU 36 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2gyk h LEU 36 CO -0.12 0.76 0.27 0.58 0.09 0.00 0.00 178.44 180.02 2gyk h VAL 37 N 0.51 1.20 -0.51 1.22 2.07 -0.82 -0.55 116.25 119.37 2gyk h VAL 37 Ca 0.12 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2gyk h VAL 37 Cb 0.41 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2gyk h VAL 37 CO 0.01 0.23 0.30 0.74 0.02 0.00 0.00 177.57 178.87 2gyk h THR 38 N 0.74 1.05 -0.27 2.57 2.02 -0.93 -1.04 112.91 117.05 2gyk h THR 38 Ca 0.19 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.21 2gyk h THR 38 Cb 0.11 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 2gyk h THR 38 CO -0.02 0.11 -0.01 -0.74 0.37 0.00 0.00 175.52 175.23 2gyk h HIS 39 N 0.60 -0.03 -0.51 3.16 6.17 -0.93 -1.38 115.15 122.23 2gyk h HIS 39 Ca 0.20 0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.40 2gyk h HIS 39 Cb 0.02 0.05 -0.08 0.00 2.52 0.00 0.00 27.41 29.93 2gyk h HIS 39 CO -0.07 -0.05 0.04 0.35 0.71 0.00 0.00 177.93 178.91 2gyk h PHE 40 N 0.07 0.03 -0.64 5.26 3.04 -0.72 0.16 116.94 124.14 2gyk h PHE 40 Ca 0.13 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2gyk h PHE 40 Cb 0.17 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 2gyk h PHE 40 CO -0.21 -0.08 0.41 0.93 -2.02 0.00 0.00 178.31 177.33 2gyk h GLU 41 N 0.16 0.86 -0.39 1.11 5.08 -0.82 -0.85 114.58 119.73 2gyk h GLU 41 Ca 0.26 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2gyk h GLU 41 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2gyk h GLU 41 CO -0.40 0.59 -0.25 0.93 -1.00 0.00 0.00 179.01 178.88 2gyk h GLU 42 N 0.87 0.80 0.12 2.33 5.08 -0.55 -2.55 114.58 120.67 2gyk h GLU 42 Ca 0.23 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2gyk h GLU 42 Cb -0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2gyk h GLU 42 CO -0.05 0.96 -0.06 0.52 -1.00 0.00 0.00 179.01 179.39 2gyk h MET 43 N 0.69 -0.15 -0.11 2.33 2.86 -0.72 -3.32 114.93 116.51 2gyk h MET 43 Ca 0.09 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 2gyk h MET 43 Cb 0.78 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2gyk h MET 43 CO 0.06 0.14 -0.55 1.79 1.06 0.00 0.00 176.91 179.41 2gyk h THR 44 N -0.45 1.35 -0.93 2.22 1.35 -1.17 -3.38 112.91 111.90 2gyk h THR 44 Ca -0.02 -1.85 -0.33 0.00 -0.55 0.00 0.00 66.41 63.66 2gyk h THR 44 Cb 0.36 1.88 -0.13 0.00 -1.73 0.00 0.00 68.15 68.53 2gyk h THR 44 CO 0.03 0.56 -0.30 -0.62 -0.25 0.00 0.00 175.52 174.93 2gyk n GLU 45 N -3.92 -1.50 -2.46 4.72 1.02 -0.96 -4.93 120.64 112.60 2gyk n GLU 45 Ca -0.02 1.03 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 2gyk n GLU 45 Cb 0.59 -5.37 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 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 -2.36 3.53 0.54 -0.32 2.46 -1.26 -4.92 115.29 112.95 2gyk s HIS 46 Ca 0.00 1.54 0.38 0.00 0.47 0.00 0.00 55.06 57.46 2gyk s HIS 46 Cb 0.00 -3.33 2.05 0.00 -0.13 0.00 0.00 32.58 31.17 2gyk s HIS 46 CO 0.00 -0.82 2.26 -1.00 -2.47 0.00 0.00 174.74 172.71 2gyk h PRO 47 N 5.07 0.00 0.00 2.88 0.13 -1.97 -2.05 132.00 136.06 2gyk h PRO 47 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gyk h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gyk h PRO 47 CO 0.73 0.02 0.00 0.77 -0.23 0.00 0.00 178.00 179.28 2gyk h SER 48 N 0.00 0.00 0.00 1.44 0.02 -2.00 -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 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2gyk h SER 48 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2gyk n GLY 49 N 0.60 2.93 0.08 -3.77 0.00 -0.77 -1.70 105.19 102.56 2gyk n GLY 49 Ca 0.04 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 2.43 0.35 0.25 1.61 3.41 -1.26 -2.35 113.62 118.06 2gyk n SER 50 Ca 0.00 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 2gyk n SER 50 Cb 0.00 -0.68 0.65 0.00 -0.26 0.00 0.00 64.21 63.92 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 2.19 1.53 -0.53 7.33 0.00 -1.65 -1.04 119.26 127.09 2gyk h ALA 51 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2gyk h ALA 51 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2gyk h ALA 51 CO 0.00 0.16 0.36 -0.07 0.00 0.00 0.00 179.25 179.69 2gyk h LEU 52 N 0.00 0.29 0.07 0.00 3.38 -1.64 0.43 115.31 117.83 2gyk h LEU 52 Ca -0.00 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 2gyk h LEU 52 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2gyk h LEU 52 CO 0.02 0.18 -1.62 0.40 0.09 0.00 0.00 178.44 177.50 2gyk h ILE 53 N 0.33 0.78 0.00 1.22 1.08 -1.46 -3.43 117.51 116.04 2gyk h ILE 53 Ca 0.24 -2.27 -0.05 0.00 -0.39 0.00 0.00 64.86 62.39 2gyk h ILE 53 Cb 0.53 2.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 2gyk h ILE 53 CO -0.06 0.61 -1.76 -1.22 -0.69 0.00 0.00 178.15 175.04 2gyk n TYR 54 N -3.96 0.00 -3.18 1.37 4.02 -0.73 -4.77 117.16 109.92 2gyk n TYR 54 Ca -0.32 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.36 2gyk n TYR 54 Cb 0.87 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 39.71 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 -2.13 -0.27 -1.88 -0.72 4.02 0.12 -5.03 117.16 111.27 2gyk n TYR 55 Ca -0.07 -3.60 -0.39 0.00 -0.01 0.00 0.00 57.90 53.84 2gyk n TYR 55 Cb 0.52 -0.31 0.02 0.00 -0.02 0.00 0.00 39.34 39.54 2gyk n TYR 55 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2gyk s PRO 56 N -1.55 3.46 0.40 -0.72 0.02 -1.11 -4.62 135.00 130.87 2gyk s PRO 56 Ca 0.37 2.21 -0.26 0.00 0.02 0.00 0.00 61.00 63.33 2gyk s PRO 56 Cb 0.23 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 2gyk s PRO 56 CO -0.10 -0.93 1.33 0.21 -0.33 0.00 0.00 177.00 177.18 2gyk s LYS 57 N -2.68 4.00 -0.04 5.54 2.20 -1.26 -4.92 119.74 122.58 2gyk s LYS 57 Ca 0.66 2.22 -0.38 0.00 -0.36 0.00 0.00 55.97 58.11 2gyk s LYS 57 Cb -0.39 -2.81 -0.16 0.00 -1.51 0.00 0.00 37.83 32.96 2gyk s LYS 57 CO 0.48 -0.49 1.49 0.39 -0.36 0.00 0.00 175.35 176.87 2gyk n GLU 58 N 0.21 1.18 0.00 4.03 1.02 -1.26 -1.27 120.64 124.55 2gyk n GLU 58 Ca 0.03 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2gyk n GLU 58 Cb 0.43 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2gyk n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gyk n GLY 59 N 3.14 2.93 3.78 0.62 0.00 -1.26 -5.06 105.19 109.32 2gyk n GLY 59 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 0.14 7.03 -0.47 1.61 -0.00 -0.40 -5.00 116.67 119.58 2gyk s ASP 60 Ca 0.00 2.04 -0.25 0.00 -0.00 0.00 0.00 52.55 54.34 2gyk s ASP 60 Cb 0.00 -2.59 0.03 0.00 -0.00 0.00 0.00 42.92 40.35 2gyk s ASP 60 CO 0.00 -0.30 0.92 -0.62 -0.00 0.00 0.00 175.17 175.17 2gyk s ASP 61 N -1.41 6.47 -0.24 0.27 -1.08 -1.26 -4.89 116.67 114.53 2gyk s ASP 61 Ca 0.53 0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.71 2gyk s ASP 61 Cb -0.24 -2.45 0.67 0.00 -1.46 0.00 0.00 42.92 39.44 2gyk s ASP 61 CO 0.30 -1.06 1.61 -0.90 0.52 0.00 0.00 175.17 175.63 2gyk n ASP 62 N 7.18 4.70 -4.76 -0.34 5.75 -1.26 -2.93 116.55 124.89 2gyk n ASP 62 Ca 0.05 -2.92 -0.31 0.00 -0.01 0.00 0.00 54.79 51.61 2gyk n ASP 62 Cb 0.48 -0.69 0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2gyk n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2gyk s SER 63 N -0.72 4.31 0.22 -1.12 1.04 -1.26 -4.82 113.70 111.36 2gyk s SER 63 Ca 0.46 1.77 -0.07 0.00 0.48 0.00 0.00 55.95 58.59 2gyk s SER 63 Cb 0.36 -2.46 0.35 0.00 0.10 0.00 0.00 66.02 64.37 2gyk s SER 63 CO 0.12 -2.15 1.73 -0.65 0.98 0.00 0.00 173.24 173.27 2gyk h PRO 64 N -1.21 0.40 -0.68 4.02 0.11 -1.91 -0.49 132.00 132.24 2gyk h PRO 64 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gyk h PRO 64 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2gyk h PRO 64 CO 0.52 0.26 0.42 0.77 -0.21 0.00 0.00 178.00 179.75 2gyk h SER 65 N 0.41 0.82 -0.52 -2.05 0.02 -1.92 -1.74 113.55 108.57 2gyk h SER 65 Ca 0.35 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2gyk h SER 65 Cb 0.48 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2gyk h SER 65 CO -0.36 0.64 0.29 1.23 -1.14 0.00 0.00 176.83 177.49 2gyk h GLY 66 N 0.93 0.73 0.93 -3.77 0.00 -1.53 -1.99 103.07 98.36 2gyk h GLY 66 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2gyk h GLY 66 CO -0.05 0.16 0.13 -2.22 0.00 0.00 0.00 176.54 174.56 2gyk h ILE 67 N 0.57 1.16 -0.59 2.60 2.04 -0.81 -1.41 117.51 121.05 2gyk h ILE 67 Ca 0.22 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.69 2gyk h ILE 67 Cb 0.07 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2gyk h ILE 67 CO -0.12 0.16 0.28 0.58 0.00 0.00 0.00 178.15 179.05 2gyk h VAL 68 N 0.32 0.89 -0.49 1.67 2.07 -1.20 -1.36 116.25 118.14 2gyk h VAL 68 Ca 0.10 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2gyk h VAL 68 Cb 0.13 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2gyk h VAL 68 CO -0.01 0.09 -0.07 -1.13 0.02 0.00 0.00 177.57 176.47 2gyk h ASN 69 N 0.52 0.86 -0.57 0.57 -0.73 -1.12 0.56 115.58 115.68 2gyk h ASN 69 Ca 0.28 -0.25 0.02 0.00 1.87 0.00 0.00 56.30 58.22 2gyk h ASN 69 Cb 0.25 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 2gyk h ASN 69 CO -0.22 0.97 0.35 0.74 -0.37 0.00 0.00 177.43 178.90 2gyk h THR 70 N 0.80 1.08 -0.09 -3.57 2.02 -0.92 0.58 112.91 112.81 2gyk h THR 70 Ca 0.14 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2gyk h THR 70 Cb 0.57 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2gyk h THR 70 CO 0.03 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.68 2gyk h VAL 71 N 0.70 1.12 -0.47 3.16 2.07 -1.03 -1.43 116.25 120.37 2gyk h VAL 71 Ca 0.22 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2gyk h VAL 71 Cb -0.01 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2gyk h VAL 71 CO -0.08 0.11 0.31 0.50 0.02 0.00 0.00 177.57 178.42 2gyk h LYS 72 N 0.02 0.61 -0.48 1.57 3.64 -0.67 -0.88 116.57 120.37 2gyk h LYS 72 Ca 0.03 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2gyk h LYS 72 Cb 0.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2gyk h LYS 72 CO -0.00 0.40 -0.21 1.96 -2.27 0.00 0.00 179.45 179.33 2gyk h GLN 73 N 0.63 0.99 -0.14 1.90 4.20 -0.86 -1.73 115.11 120.11 2gyk h GLN 73 Ca 0.18 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2gyk h GLN 73 Cb -0.05 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2gyk h GLN 73 CO -0.05 1.10 0.03 2.35 -0.67 0.00 0.00 178.83 181.59 2gyk h TRP 74 N 0.85 0.23 -0.58 2.96 7.01 -1.02 -1.50 115.95 123.90 2gyk h TRP 74 Ca 0.11 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2gyk h TRP 74 Cb 0.79 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 2gyk h TRP 74 CO 0.05 0.37 0.31 0.00 -2.79 0.00 0.00 178.44 176.38 2gyk h ARG 75 N 0.03 0.81 -0.79 2.65 3.08 -1.11 -2.10 114.38 116.94 2gyk h ARG 75 Ca 0.04 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.06 2gyk h ARG 75 Cb 0.26 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2gyk h ARG 75 CO 0.00 0.63 0.52 0.00 -1.07 0.00 0.00 179.97 180.05 2gyk h ALA 76 N 1.13 1.65 0.00 0.04 0.00 -1.16 -2.31 119.26 118.61 2gyk h ALA 76 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2gyk h ALA 76 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2gyk h ALA 76 CO -0.03 0.23 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 2gyk n ALA 77 N -2.43 2.60 -1.62 0.00 0.00 -0.58 -4.23 120.51 114.25 2gyk n ALA 77 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2gyk n ALA 77 Cb 0.23 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.50 2gyk n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gyk n ASN 78 N -1.96 1.69 -0.27 0.00 3.02 -0.84 -4.98 115.26 111.92 2gyk n ASN 78 Ca 0.05 -3.49 -0.03 0.00 -0.03 0.00 0.00 54.58 51.08 2gyk n ASN 78 Cb 0.40 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.95 0.64 3.93 7.41 0.00 -1.21 -5.01 105.19 110.00 2gyk n GLY 79 Ca 0.16 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.73 3.52 0.68 1.61 -0.14 -0.89 -5.08 119.74 117.70 2gyk s LYS 80 Ca 0.00 -0.35 -0.14 0.00 -1.36 0.00 0.00 55.97 54.12 2gyk s LYS 80 Cb 0.00 -2.85 0.01 0.00 -1.68 0.00 0.00 37.83 33.31 2gyk s LYS 80 CO 0.00 0.41 1.11 -1.54 -0.76 0.00 0.00 175.35 174.57 2gyk s SER 81 N -3.14 4.96 0.00 2.83 1.04 -1.26 -4.54 113.70 113.59 2gyk s SER 81 Ca 0.38 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.79 2gyk s SER 81 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2gyk s SER 81 CO 0.29 -1.73 0.00 0.61 0.98 0.00 0.00 173.24 173.39 2gyk n GLY 82 N -0.61 3.22 3.75 7.32 0.00 -1.26 -4.82 105.19 112.80 2gyk n GLY 82 Ca 0.10 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 0.56 2.43 0.64 1.61 0.40 -1.26 -3.59 117.98 118.77 2gyk s PHE 83 Ca 0.00 1.58 -0.15 0.00 -0.60 0.00 0.00 56.93 57.76 2gyk s PHE 83 Cb 0.00 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.32 2gyk s PHE 83 CO 0.00 -1.96 1.09 0.21 0.70 0.00 0.00 175.22 175.26 2gyk s LYS 84 N -4.34 2.99 0.00 0.44 2.20 -0.16 -4.93 119.74 115.94 2gyk s LYS 84 Ca 0.66 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 2gyk s LYS 84 Cb -0.21 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 2gyk s LYS 84 CO 0.48 -1.09 0.00 0.94 -0.36 0.00 0.00 175.35 175.32