#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s PHE 2 N 0.00 2.74 -0.25 2.03 2.99 -1.26 -4.78 117.98 119.45 2gya s PHE 2 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 56.93 57.66 2gya s PHE 2 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 43.02 39.43 2gya s PHE 2 CO 0.00 -1.95 0.50 0.99 -0.00 0.00 0.00 175.22 174.76 2gya s THR 3 N 3.58 5.09 0.04 0.64 2.01 -1.26 -1.30 115.64 124.43 2gya s THR 3 Ca 0.57 0.86 0.05 0.00 0.31 0.00 0.00 61.69 63.49 2gya s THR 3 Cb -0.23 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2gya s THR 3 CO 0.16 0.11 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.42 2gya s ILE 4 N 2.15 1.26 0.22 1.82 1.01 -0.85 -5.00 121.20 121.80 2gya s ILE 4 Ca 0.21 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2gya s ILE 4 Cb -0.16 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 2gya s ILE 4 CO 0.09 0.08 0.44 0.20 0.00 0.00 0.00 174.94 175.75 2gya s ASN 5 N -1.09 6.42 0.20 3.58 0.01 -1.26 0.21 114.94 123.01 2gya s ASN 5 Ca 0.03 0.53 -0.22 0.00 -0.71 0.00 0.00 52.86 52.49 2gya s ASN 5 Cb -0.08 -2.07 0.07 0.00 0.41 0.00 0.00 41.25 39.58 2gya s ASN 5 CO 0.01 -0.08 0.98 0.00 -1.51 0.00 0.00 177.10 176.50 2gya s ALA 6 N -1.91 -1.52 0.00 0.60 0.00 -0.52 -4.04 121.76 114.38 2gya s ALA 6 Ca 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2gya s ALA 6 Cb -0.11 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2gya s ALA 6 CO 0.29 -1.05 0.00 0.39 0.00 0.00 0.00 175.76 175.39 2gya n GLU 7 N -0.59 1.22 -4.97 0.00 -0.58 -0.71 0.08 120.64 115.09 2gya n GLU 7 Ca -0.05 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.37 2gya n GLU 7 Cb 0.60 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.33 2gya n GLU 7 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2gya s VAL 8 N -0.66 2.85 -0.71 2.62 1.01 -1.26 -1.66 120.40 122.59 2gya s VAL 8 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2gya s VAL 8 Cb 0.00 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2gya s VAL 8 CO 0.00 0.59 1.44 -0.13 0.00 0.00 0.00 175.10 176.99 2gya s ARG 9 N -0.64 3.04 -0.20 2.72 1.81 -0.97 -4.74 118.95 119.98 2gya s ARG 9 Ca 0.10 -0.03 -0.21 0.00 -1.72 0.00 0.00 55.73 53.87 2gya s ARG 9 Cb -0.11 -4.25 -0.18 0.00 -0.45 0.00 0.00 34.95 29.96 2gya s ARG 9 CO 0.01 -2.31 0.20 0.87 -0.68 0.00 0.00 175.30 173.38 2gya h LYS 10 N 11.34 0.00 -4.02 3.54 1.57 -1.98 -3.41 116.57 123.61 2gya h LYS 10 Ca -0.27 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 57.75 2gya h LYS 10 Cb 1.08 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.17 2gya h LYS 10 CO 1.27 0.89 1.10 0.39 -0.57 0.00 0.00 179.45 182.52 2gya n GLU 11 N -4.46 3.57 -2.14 3.15 1.02 -1.26 -4.98 120.64 115.54 2gya n GLU 11 Ca -0.28 -4.08 -0.39 0.00 -0.02 0.00 0.00 57.16 52.39 2gya n GLU 11 Cb 0.63 -2.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.20 2gya n GLU 11 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2gya s GLN 12 N 0.05 2.73 0.16 3.49 -0.21 -1.26 -4.67 119.66 119.95 2gya s GLN 12 Ca 0.37 0.43 -0.25 0.00 0.02 0.00 0.00 55.36 55.94 2gya s GLN 12 Cb -0.03 -4.36 0.06 0.00 1.00 0.00 0.00 33.01 29.68 2gya s GLN 12 CO -0.01 -2.64 0.93 0.20 -2.12 0.00 0.00 175.29 171.65 2gya s GLY 13 N 7.28 -0.23 0.12 3.09 0.00 -1.26 -5.04 107.32 111.29 2gya s GLY 13 Ca 0.61 0.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.38 2gya s GLY 13 CO 0.19 0.01 1.31 1.70 0.00 0.00 0.00 173.10 176.31 2gya h LYS 14 N 2.00 0.53 -0.36 2.90 3.64 -1.99 -2.36 116.57 120.93 2gya h LYS 14 Ca -0.23 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 58.60 2gya h LYS 14 Cb 1.23 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2gya h LYS 14 CO 0.25 1.15 0.10 0.78 -2.27 0.00 0.00 179.45 179.46 2gya h GLY 15 N 0.97 0.61 1.75 5.01 0.00 -1.96 -1.25 103.07 108.20 2gya h GLY 15 Ca -0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2gya h GLY 15 CO 0.16 0.35 -0.33 0.00 0.00 0.00 0.00 176.54 176.72 2gya h ALA 16 N 0.94 1.17 -0.51 3.60 0.00 -1.83 -2.81 119.26 119.82 2gya h ALA 16 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2gya h ALA 16 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2gya h ALA 16 CO -0.00 0.54 -0.04 1.03 0.00 0.00 0.00 179.25 180.78 2gya h SER 17 N 0.25 0.91 0.45 0.00 0.87 -1.13 -2.68 113.55 112.22 2gya h SER 17 Ca 0.03 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 2gya h SER 17 Cb 0.71 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2gya h SER 17 CO 0.05 1.02 -0.20 0.03 -0.53 0.00 0.00 176.83 177.20 2gya h ARG 18 N 0.79 0.00 0.00 2.24 3.08 -1.03 0.21 114.38 119.67 2gya h ARG 18 Ca 0.14 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 2gya h ARG 18 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2gya h ARG 18 CO 0.03 0.20 -0.67 0.00 -1.07 0.00 0.00 179.97 178.47 2gya h ARG 19 N 0.00 0.00 0.13 0.04 3.08 -1.24 -2.59 114.38 113.80 2gya h ARG 19 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2gya h ARG 19 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.55 2gya h ARG 19 CO 0.03 0.67 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.63 2gya h LEU 20 N 0.00 0.43 -2.12 3.04 3.38 -1.06 -3.18 115.31 115.80 2gya h LEU 20 Ca -0.01 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 2gya h LEU 20 Cb 1.33 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2gya h LEU 20 CO 0.09 1.42 -0.00 0.03 0.09 0.00 0.00 178.44 180.06 2gya h ARG 21 N -0.39 0.00 0.00 1.13 3.08 0.35 0.26 114.38 118.81 2gya h ARG 21 Ca -0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2gya h ARG 21 Cb 1.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 2gya h ARG 21 CO 0.13 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 178.61 2gya h ALA 22 N 2.00 0.92 -0.66 0.04 0.00 -1.52 -2.59 119.26 117.44 2gya h ALA 22 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gya h ALA 22 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2gya h ALA 22 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2gya n ALA 23 N -2.28 2.68 -2.30 0.00 0.00 0.65 -4.96 120.51 114.30 2gya n ALA 23 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 53.44 51.93 2gya n ALA 23 Cb 0.56 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.12 2gya n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gya n ASN 24 N 1.29 -3.86 -3.71 0.00 5.03 0.04 -4.95 115.26 109.10 2gya n ASN 24 Ca 0.24 -0.31 -0.14 0.00 0.87 0.00 0.00 54.58 55.25 2gya n ASN 24 Cb 0.73 -2.57 -0.09 0.00 -1.02 0.00 0.00 39.78 36.83 2gya n ASN 24 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2gya s LYS 25 N -3.70 0.58 0.09 3.52 1.02 0.37 -1.24 119.74 120.38 2gya s LYS 25 Ca 0.18 0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.71 2gya s LYS 25 Cb -0.02 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2gya s LYS 25 CO 0.32 -0.09 -0.07 -0.59 -0.92 0.00 0.00 175.35 174.01 2gya s PHE 26 N -0.01 0.85 0.66 3.18 -0.71 -0.72 -1.32 117.98 119.91 2gya s PHE 26 Ca -0.02 -0.87 -0.10 0.00 -1.04 0.00 0.00 56.93 54.89 2gya s PHE 26 Cb -0.03 -0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 41.28 2gya s PHE 26 CO 0.02 -0.15 1.05 -1.25 -1.34 0.00 0.00 175.22 173.54 2gya s PRO 27 N -3.57 3.09 -0.03 1.99 0.04 -1.26 -0.40 135.00 134.86 2gya s PRO 27 Ca 0.09 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 2gya s PRO 27 Cb 0.04 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2gya s PRO 27 CO -0.04 -0.84 0.76 0.00 0.04 0.00 0.00 177.00 176.92 2gya s ALA 28 N -3.25 -1.78 -0.04 8.56 0.00 0.05 -3.79 121.76 121.50 2gya s ALA 28 Ca 0.56 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.75 2gya s ALA 28 Cb -0.11 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2gya s ALA 28 CO 0.51 -0.48 -0.20 -1.50 0.00 0.00 0.00 175.76 174.10 2gya s ILE 29 N -1.92 1.65 -0.11 0.00 -1.16 -1.10 -0.17 121.20 118.40 2gya s ILE 29 Ca -0.04 -0.85 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 2gya s ILE 29 Cb -0.00 -1.40 0.00 0.00 0.61 0.00 0.00 42.46 41.67 2gya s ILE 29 CO 0.01 0.47 -0.22 -0.63 -2.81 0.00 0.00 174.94 171.76 2gya s ILE 30 N -0.10 1.93 0.10 2.00 1.01 0.12 -0.91 121.20 125.35 2gya s ILE 30 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.74 2gya s ILE 30 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2gya s ILE 30 CO 0.02 0.53 -0.12 -0.72 0.00 0.00 0.00 174.94 174.65 2gya s TYR 31 N 0.52 1.19 -0.47 3.97 -0.85 -0.72 -0.14 117.35 120.84 2gya s TYR 31 Ca -0.15 -0.58 0.04 0.00 -0.52 0.00 0.00 57.07 55.85 2gya s TYR 31 Cb -0.17 -0.64 0.20 0.00 0.38 0.00 0.00 41.96 41.72 2gya s TYR 31 CO 0.05 0.06 0.82 0.20 -1.52 0.00 0.00 175.55 175.16 2gya s GLY 32 N -2.29 -1.42 0.00 5.49 0.00 -1.25 -1.27 107.32 106.57 2gya s GLY 32 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.64 2gya s GLY 32 CO 0.01 3.82 0.00 0.61 0.00 0.00 0.00 173.10 177.55 2gya n GLY 33 N 2.94 1.83 0.25 0.20 0.00 -1.26 -0.19 105.19 108.96 2gya n GLY 33 Ca 0.16 0.48 0.16 0.00 0.00 0.00 0.00 46.02 46.82 2gya n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gya h LYS 34 N 0.00 0.00 -6.67 1.61 -0.00 -2.04 -3.44 116.57 106.03 2gya h LYS 34 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 60.65 60.14 2gya h LYS 34 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2gya h LYS 34 CO 0.00 0.00 0.47 -1.21 -0.00 0.00 0.00 179.45 178.71 2gya s GLU 35 N -3.61 4.60 0.11 0.07 0.41 0.73 -4.99 118.70 116.03 2gya s GLU 35 Ca 0.02 1.72 -0.31 0.00 -0.41 0.00 0.00 54.97 55.99 2gya s GLU 35 Cb 0.09 -3.27 -0.08 0.00 -1.78 0.00 0.00 34.13 29.09 2gya s GLU 35 CO 0.51 0.09 1.42 0.00 -0.49 0.00 0.00 175.26 176.79 2gya s ALA 36 N -0.33 3.62 0.32 5.21 0.00 -1.26 -3.84 121.76 125.47 2gya s ALA 36 Ca 0.49 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 2gya s ALA 36 Cb -0.30 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 2gya s ALA 36 CO 0.35 -0.67 1.32 -2.30 0.00 0.00 0.00 175.76 174.47 2gya n PRO 37 N 4.10 2.11 -4.54 0.00 -0.02 -1.26 -4.85 135.00 130.54 2gya n PRO 37 Ca 0.12 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 62.13 2gya n PRO 37 Cb 0.42 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 2gya n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gya s LEU 38 N -0.73 1.89 -0.21 2.45 2.96 0.80 -4.95 118.68 120.89 2gya s LEU 38 Ca 0.58 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2gya s LEU 38 Cb -0.59 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 2gya s LEU 38 CO 0.59 0.11 0.10 0.00 -1.32 0.00 0.00 176.35 175.83 2gya s ALA 39 N 0.00 3.45 0.32 5.97 0.00 -1.26 0.12 121.76 130.36 2gya s ALA 39 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2gya s ALA 39 Cb -0.08 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2gya s ALA 39 CO 0.00 -0.06 0.09 0.96 0.00 0.00 0.00 175.76 176.75 2gya s ILE 40 N 0.81 0.87 -0.25 0.00 -4.36 0.76 -2.30 121.20 116.72 2gya s ILE 40 Ca 0.05 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2gya s ILE 40 Cb -0.13 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2gya s ILE 40 CO 0.02 0.00 -0.05 -1.61 0.24 0.00 0.00 174.94 173.54 2gya s GLU 41 N -3.91 2.85 0.26 0.37 2.02 -0.67 -0.77 118.70 118.85 2gya s GLU 41 Ca 0.35 -0.97 0.06 0.00 0.02 0.00 0.00 54.97 54.43 2gya s GLU 41 Cb 0.07 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 2gya s GLU 41 CO 0.15 -0.41 0.35 -0.51 0.02 0.00 0.00 175.26 174.87 2gya s LEU 42 N 1.34 4.19 0.01 1.80 1.43 0.46 -1.74 118.68 126.17 2gya s LEU 42 Ca 0.00 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2gya s LEU 42 Cb -0.17 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 2gya s LEU 42 CO -0.04 -0.12 1.03 -0.62 0.23 0.00 0.00 176.35 176.83 2gya s ASP 43 N -3.99 7.30 0.01 2.29 -1.08 -1.26 -1.76 116.67 118.18 2gya s ASP 43 Ca 0.36 1.73 -0.26 0.00 -0.52 0.00 0.00 52.55 53.85 2gya s ASP 43 Cb -0.09 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.66 2gya s ASP 43 CO 0.29 -0.32 1.10 -0.74 0.52 0.00 0.00 175.17 176.02 2gya h HIS 44 N 6.83 -0.88 -0.53 -5.34 -0.00 -1.51 -2.76 115.15 110.96 2gya h HIS 44 Ca -0.40 -0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.05 2gya h HIS 44 Cb 1.21 0.29 -0.09 0.00 -0.00 0.00 0.00 27.41 28.82 2gya h HIS 44 CO 0.68 -0.55 -0.03 -0.44 -0.00 0.00 0.00 177.93 177.60 2gya h ASP 45 N -1.23 -0.29 0.79 3.26 3.32 -1.94 -0.09 116.42 120.24 2gya h ASP 45 Ca -0.10 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2gya h ASP 45 Cb 0.73 0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.53 2gya h ASP 45 CO 0.16 -0.11 -0.38 0.11 -1.72 0.00 0.00 179.24 177.30 2gya h LYS 46 N 0.09 -1.03 -0.36 3.56 1.57 -1.94 -3.12 116.57 115.33 2gya h LYS 46 Ca 0.27 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2gya h LYS 46 Cb 0.42 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2gya h LYS 46 CO -0.47 -0.68 0.24 0.28 -0.57 0.00 0.00 179.45 178.25 2gya h VAL 47 N -1.11 1.09 -0.97 0.50 2.07 -1.33 -2.46 116.25 114.04 2gya h VAL 47 Ca -0.11 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.44 2gya h VAL 47 Cb 0.82 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 2gya h VAL 47 CO 0.18 0.09 0.57 -0.03 0.02 0.00 0.00 177.57 178.39 2gya h MET 48 N 0.49 0.68 0.01 1.57 1.85 -1.06 0.63 114.93 119.09 2gya h MET 48 Ca 0.13 -0.04 -0.21 0.00 -0.61 0.00 0.00 59.70 58.97 2gya h MET 48 Cb -0.05 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 31.80 2gya h MET 48 CO -0.03 0.45 -1.00 -0.91 -0.40 0.00 0.00 176.91 175.02 2gya h ASN 49 N 0.70 0.03 0.27 1.39 2.35 -1.46 -3.16 115.58 115.70 2gya h ASN 49 Ca 0.57 -0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 56.01 2gya h ASN 49 Cb 0.90 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 39.28 2gya h ASN 49 CO -0.40 1.01 -1.15 0.24 -1.65 0.00 0.00 177.43 175.48 2gya h MET 50 N 0.01 0.51 0.00 0.81 2.86 -0.67 -3.06 114.93 115.38 2gya h MET 50 Ca -0.02 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 2gya h MET 50 Cb 1.75 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.63 2gya h MET 50 CO 0.13 1.27 0.00 0.00 1.06 0.00 0.00 176.91 179.38 2gya n GLN 51 N -3.74 0.20 0.13 1.72 -0.00 0.21 -1.30 117.38 114.60 2gya n GLN 51 Ca -0.11 0.46 -0.00 0.00 -0.00 0.00 0.00 57.00 57.35 2gya n GLN 51 Cb 0.95 -1.91 0.09 0.00 -0.00 0.00 0.00 30.24 29.36 2gya n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gya h ALA 52 N 2.22 0.72 -1.58 2.61 0.00 -1.49 -3.40 119.26 118.32 2gya h ALA 52 Ca 0.00 -0.59 -0.62 0.00 0.00 0.00 0.00 54.91 53.70 2gya h ALA 52 Cb 0.32 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 2gya h ALA 52 CO 0.00 0.81 0.79 0.15 0.00 0.00 0.00 179.25 181.00 2gya s LYS 53 N -3.17 3.25 0.04 0.00 1.02 -0.42 -4.92 119.74 115.54 2gya s LYS 53 Ca 0.01 -0.89 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 2gya s LYS 53 Cb 0.10 -4.44 0.05 0.00 -0.52 0.00 0.00 37.83 33.02 2gya s LYS 53 CO 0.76 -1.92 0.27 0.00 -0.92 0.00 0.00 175.35 173.54 2gya n ALA 54 N 7.98 -0.00 0.12 5.17 0.00 -1.26 0.12 120.51 132.64 2gya n ALA 54 Ca 0.06 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.72 2gya n ALA 54 Cb 0.47 -0.09 0.23 0.00 0.00 0.00 0.00 19.45 20.06 2gya n ALA 54 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gya n GLU 55 N -4.26 0.06 -0.30 0.00 0.00 -1.26 -2.30 120.64 112.58 2gya n GLU 55 Ca 0.02 0.47 0.05 0.00 0.00 0.00 0.00 57.16 57.71 2gya n GLU 55 Cb 0.07 -2.01 0.20 0.00 0.00 0.00 0.00 31.44 29.70 2gya n GLU 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2gya h PHE 56 N 0.00 0.82 0.00 -1.84 3.57 0.76 -1.19 116.94 119.05 2gya h PHE 56 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gya h PHE 56 Cb 0.65 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2gya h PHE 56 CO 0.00 0.26 0.00 1.88 -2.23 0.00 0.00 178.31 178.22 2gya h TYR 57 N 0.71 0.00 0.00 0.41 -1.99 -1.70 -3.28 116.97 111.11 2gya h TYR 57 Ca 0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.17 2gya h TYR 57 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2gya h TYR 57 CO -0.07 0.00 -1.32 -1.13 -0.00 0.00 0.00 178.16 175.64 2gya n SER 58 N -2.46 0.69 -4.89 3.88 3.41 -0.76 -3.90 113.62 109.59 2gya n SER 58 Ca 0.05 -0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 57.75 2gya n SER 58 Cb 0.44 1.35 0.06 0.00 -0.26 0.00 0.00 64.21 65.80 2gya n SER 58 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2gya s GLU 59 N -3.10 2.62 -1.01 4.33 2.02 -0.53 -4.98 118.70 118.06 2gya s GLU 59 Ca 0.02 0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.32 2gya s GLU 59 Cb 0.15 -2.03 0.32 0.00 0.10 0.00 0.00 34.13 32.67 2gya s GLU 59 CO 0.84 -1.16 1.85 1.55 0.02 0.00 0.00 175.26 178.36 2gya n VAL 60 N -3.05 5.82 -0.80 2.63 3.14 -1.26 -4.36 118.33 120.45 2gya n VAL 60 Ca 0.07 -5.80 -0.30 0.00 -2.96 0.00 0.00 64.34 55.36 2gya n VAL 60 Cb 0.58 -1.51 -0.03 0.00 -1.06 0.00 0.00 33.84 31.82 2gya n VAL 60 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2gya n LEU 61 N -0.12 -0.28 -4.26 6.55 4.77 -0.40 -4.32 117.00 118.94 2gya n LEU 61 Ca 0.48 0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 56.66 2gya n LEU 61 Cb 0.26 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2gya n LEU 61 CO 0.52 -1.29 0.47 -0.89 -1.33 0.00 0.00 177.39 174.87 2gya s THR 62 N -0.22 5.24 -0.32 -5.08 2.01 -0.42 -1.34 115.64 115.51 2gya s THR 62 Ca 0.44 -3.10 -0.25 0.00 0.31 0.00 0.00 61.69 59.09 2gya s THR 62 Cb -0.62 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 67.67 2gya s THR 62 CO 0.31 -1.07 0.88 -0.63 -0.69 0.00 0.00 174.62 173.42 2gya s ILE 63 N -0.59 4.70 -0.64 1.82 -1.09 -1.26 -2.01 121.20 122.12 2gya s ILE 63 Ca 0.24 1.32 -0.16 0.00 -2.23 0.00 0.00 60.65 59.81 2gya s ILE 63 Cb -0.11 -4.23 0.15 0.00 -1.58 0.00 0.00 42.46 36.68 2gya s ILE 63 CO -0.08 -0.34 0.65 -0.69 -1.23 0.00 0.00 174.94 173.25 2gya s VAL 64 N 3.18 5.18 -0.50 2.92 1.01 0.13 -1.35 120.40 130.98 2gya s VAL 64 Ca 0.36 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 2gya s VAL 64 Cb -0.13 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.85 2gya s VAL 64 CO 0.14 -1.01 0.90 0.54 0.00 0.00 0.00 175.10 175.66 2gya s VAL 65 N 1.59 4.48 0.00 2.92 0.11 -0.43 -1.43 120.40 127.63 2gya s VAL 65 Ca 0.10 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2gya s VAL 65 Cb -0.22 -4.46 0.00 0.00 -1.53 0.00 0.00 36.38 30.17 2gya s VAL 65 CO 0.00 -0.95 0.00 -0.67 -3.33 0.00 0.00 175.10 170.16 2gya n ASP 66 N 7.19 0.00 -0.23 3.54 2.03 0.11 -2.97 116.55 126.23 2gya n ASP 66 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2gya n ASP 66 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2gya n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gya n GLY 67 N 0.00 0.95 3.46 0.27 0.00 -1.26 -5.04 105.19 103.57 2gya n GLY 67 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2gya n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gya s LYS 68 N 0.00 0.64 0.79 1.61 0.00 -1.16 -5.12 119.74 116.51 2gya s LYS 68 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 55.97 56.66 2gya s LYS 68 Cb 0.00 0.29 0.07 0.00 0.00 0.00 0.00 37.83 38.19 2gya s LYS 68 CO 0.00 -0.09 1.09 -1.83 0.00 0.00 0.00 175.35 174.52 2gya s GLU 69 N 0.41 2.10 0.00 1.78 -1.05 -1.25 -1.31 118.70 119.38 2gya s GLU 69 Ca -0.01 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.56 2gya s GLU 69 Cb -0.04 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 2gya s GLU 69 CO -0.01 -1.63 0.00 -0.89 0.95 0.00 0.00 175.26 173.68 2gya n ILE 70 N -3.46 0.00 -2.01 1.83 5.41 -0.45 -4.89 119.36 115.78 2gya n ILE 70 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.81 2gya n ILE 70 Cb 0.55 -0.34 -0.01 0.00 -0.71 0.00 0.00 39.64 39.14 2gya n ILE 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2gya n LYS 71 N -1.84 -3.26 -4.05 0.38 5.02 -1.20 -4.75 118.16 108.46 2gya n LYS 71 Ca 0.00 2.57 -0.12 0.00 -2.02 0.00 0.00 58.31 58.74 2gya n LYS 71 Cb 0.27 -3.42 -0.05 0.00 -0.02 0.00 0.00 35.03 31.80 2gya n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gya s VAL 72 N -0.41 0.00 0.00 -0.18 -7.23 -0.45 -1.92 120.40 110.22 2gya s VAL 72 Ca -0.08 -1.54 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2gya s VAL 72 Cb 0.01 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2gya s VAL 72 CO 0.20 0.00 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.23 2gya s LYS 73 N -3.61 1.69 0.34 4.82 1.02 0.96 -1.27 119.74 123.69 2gya s LYS 73 Ca 0.27 -0.86 -0.28 0.00 0.02 0.00 0.00 55.97 55.12 2gya s LYS 73 Cb 0.00 -1.70 -0.10 0.00 -0.52 0.00 0.00 37.83 35.51 2gya s LYS 73 CO 0.14 0.46 1.24 0.00 -0.92 0.00 0.00 175.35 176.26 2gya s ALA 74 N -0.61 3.41 0.00 5.17 0.00 -1.25 -1.49 121.76 126.97 2gya s ALA 74 Ca 0.09 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2gya s ALA 74 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2gya s ALA 74 CO 0.00 -0.53 0.00 1.04 0.00 0.00 0.00 175.76 176.27 2gya n GLN 75 N 0.72 0.00 -4.16 0.00 1.13 -0.75 -4.82 117.38 109.49 2gya n GLN 75 Ca 0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 2gya n GLN 75 Cb 0.43 -0.13 -0.10 0.00 0.11 0.00 0.00 30.24 30.55 2gya n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2gya s ASP 76 N -2.33 1.17 -0.13 1.08 -1.08 -1.25 -5.00 116.67 109.13 2gya s ASP 76 Ca 0.00 -0.94 -0.01 0.00 -0.52 0.00 0.00 52.55 51.08 2gya s ASP 76 Cb 0.00 0.07 0.04 0.00 -1.46 0.00 0.00 42.92 41.57 2gya s ASP 76 CO 0.00 -0.41 -0.03 -0.69 0.52 0.00 0.00 175.17 174.55 2gya s VAL 77 N -3.26 0.84 -0.27 1.11 1.01 -1.26 -1.52 120.40 117.05 2gya s VAL 77 Ca 0.09 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 2gya s VAL 77 Cb 0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2gya s VAL 77 CO -0.03 0.18 0.79 -1.10 0.00 0.00 0.00 175.10 174.93 2gya s GLN 78 N 1.76 4.08 0.29 2.72 1.11 0.20 -4.98 119.66 124.85 2gya s GLN 78 Ca 0.03 0.75 -0.02 0.00 0.01 0.00 0.00 55.36 56.12 2gya s GLN 78 Cb -0.14 -3.68 -0.04 0.00 -1.01 0.00 0.00 33.01 28.14 2gya s GLN 78 CO -0.07 -0.57 0.51 1.03 0.01 0.00 0.00 175.29 176.20 2gya s ARG 79 N 2.85 3.56 0.29 2.91 0.52 -1.26 -0.66 118.95 127.16 2gya s ARG 79 Ca 0.33 -0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 55.14 2gya s ARG 79 Cb -0.15 -2.70 -0.09 0.00 0.52 0.00 0.00 34.95 32.53 2gya s ARG 79 CO 0.10 0.24 0.82 -1.58 0.02 0.00 0.00 175.30 174.89 2gya s HIS 80 N -2.11 3.57 0.00 -0.53 2.46 0.52 -4.72 115.29 114.49 2gya s HIS 80 Ca 0.41 1.50 0.00 0.00 0.47 0.00 0.00 55.06 57.44 2gya s HIS 80 Cb -0.10 -2.72 0.00 0.00 -0.13 0.00 0.00 32.58 29.63 2gya s HIS 80 CO 0.32 0.20 0.00 -0.35 -2.47 0.00 0.00 174.74 172.44 2gya n PRO 81 N 0.31 0.00 -0.38 2.88 -0.04 -1.26 -4.07 135.00 132.44 2gya n PRO 81 Ca 0.01 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.77 2gya n PRO 81 Cb 0.52 -0.12 0.57 0.00 -0.04 0.00 0.00 33.50 34.43 2gya n PRO 81 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2gya h TYR 82 N 0.00 0.64 -3.43 0.54 -0.00 -2.02 -3.29 116.97 109.41 2gya h TYR 82 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 58.73 58.13 2gya h TYR 82 Cb 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 36.73 36.16 2gya h TYR 82 CO 0.00 -0.11 -0.73 -1.59 -0.00 0.00 0.00 178.16 175.72 2gya s LYS 83 N -5.43 1.14 -0.94 0.10 -2.85 -1.26 -5.06 119.74 105.44 2gya s LYS 83 Ca -0.08 -1.54 -0.23 0.00 -1.00 0.00 0.00 55.97 53.12 2gya s LYS 83 Cb 0.28 -2.65 -0.24 0.00 -2.06 0.00 0.00 37.83 33.16 2gya s LYS 83 CO 0.81 -0.97 2.47 -2.30 0.10 0.00 0.00 175.35 175.46 2gya n PRO 84 N 4.48 0.14 -3.93 1.78 -0.02 -1.24 -4.58 135.00 131.63 2gya n PRO 84 Ca 0.01 -0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.31 2gya n PRO 84 Cb 0.42 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 2gya n PRO 84 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2gya n LYS 85 N 7.58 0.89 -3.01 -0.52 5.02 -1.26 -4.96 118.16 121.89 2gya n LYS 85 Ca 0.63 -2.61 -0.40 0.00 -2.02 0.00 0.00 58.31 53.91 2gya n LYS 85 Cb 0.14 2.77 -0.05 0.00 -0.02 0.00 0.00 35.03 37.87 2gya n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gya s LEU 86 N 0.00 4.33 -0.21 -0.35 1.43 -1.26 -0.35 118.68 122.27 2gya s LEU 86 Ca 0.24 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 2gya s LEU 86 Cb -0.03 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 2gya s LEU 86 CO 0.18 -0.12 -0.27 1.67 0.23 0.00 0.00 176.35 178.03 2gya n GLN 87 N 3.72 0.44 -3.64 1.70 7.27 0.16 -4.77 117.38 122.27 2gya n GLN 87 Ca -0.01 0.20 -0.10 0.00 0.07 0.00 0.00 57.00 57.16 2gya n GLN 87 Cb 0.51 -1.25 -0.07 0.00 2.41 0.00 0.00 30.24 31.85 2gya n GLN 87 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2gya s HIS 88 N -2.39 -0.79 0.01 3.69 5.04 -0.90 -4.32 115.29 115.64 2gya s HIS 88 Ca -0.29 1.76 0.05 0.00 -1.54 0.00 0.00 55.06 55.04 2gya s HIS 88 Cb 0.11 0.40 -0.02 0.00 0.04 0.00 0.00 32.58 33.12 2gya s HIS 88 CO 0.37 -0.38 -0.16 0.42 -2.34 0.00 0.00 174.74 172.64 2gya s ILE 89 N 0.82 1.31 0.02 0.89 1.09 -1.25 0.63 121.20 124.71 2gya s ILE 89 Ca -0.03 -0.86 -0.04 0.00 -1.10 0.00 0.00 60.65 58.62 2gya s ILE 89 Cb -0.05 -1.12 -0.05 0.00 -1.06 0.00 0.00 42.46 40.19 2gya s ILE 89 CO -0.08 0.25 0.25 -1.81 -0.10 0.00 0.00 174.94 173.44 2gya s ASP 90 N -0.71 6.44 0.05 3.58 1.11 -0.58 -2.69 116.67 123.87 2gya s ASP 90 Ca 0.05 0.46 0.02 0.00 0.18 0.00 0.00 52.55 53.26 2gya s ASP 90 Cb -0.07 -2.05 -0.03 0.00 1.07 0.00 0.00 42.92 41.84 2gya s ASP 90 CO 0.00 0.22 -0.07 -0.36 1.18 0.00 0.00 175.17 176.15 2gya s PHE 91 N -1.38 0.67 -0.07 4.23 0.08 -0.09 -1.81 117.98 119.61 2gya s PHE 91 Ca 0.30 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2gya s PHE 91 Cb -0.13 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 2gya s PHE 91 CO 0.19 -0.14 -0.06 0.54 -0.10 0.00 0.00 175.22 175.66 2gya s VAL 92 N -2.17 0.75 0.26 -0.44 0.11 -0.56 -1.76 120.40 116.59 2gya s VAL 92 Ca -0.04 -0.19 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2gya s VAL 92 Cb -0.05 -0.78 -0.13 0.00 -1.53 0.00 0.00 36.38 33.90 2gya s VAL 92 CO -0.02 0.30 1.44 0.54 -3.33 0.00 0.00 175.10 174.03 2gya n ARG 93 N 4.43 2.17 0.00 1.54 1.74 -0.40 -0.02 116.66 126.12 2gya n ARG 93 Ca -0.18 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2gya n ARG 93 Cb 0.51 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 2gya n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11