#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya n HIS 2 N 0.00 -0.01 -3.88 0.00 1.44 -1.26 -5.11 115.22 106.40 2gya n HIS 2 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 2gya n HIS 2 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2gya n HIS 2 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2gya s LYS 3 N 0.00 0.04 0.00 -1.40 0.00 -1.26 -5.17 119.74 111.96 2gya s LYS 3 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 55.97 55.90 2gya s LYS 3 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.84 2gya s LYS 3 CO 0.00 -0.01 0.00 0.36 0.00 0.00 0.00 175.35 175.70 2gya n LYS 4 N 2.90 0.00 -2.98 1.78 -0.00 -1.26 -5.02 118.16 113.58 2gya n LYS 4 Ca -0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.05 2gya n LYS 4 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.64 2gya n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya n ALA 5 N -3.00 -2.90 -0.84 0.58 0.00 -1.26 -4.38 120.51 108.71 2gya n ALA 5 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 53.44 54.19 2gya n ALA 5 Cb 0.00 -2.75 -0.07 0.00 0.00 0.00 0.00 19.45 16.63 2gya n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 6 N 0.02 -0.15 3.43 0.00 0.00 -1.26 -4.80 105.19 102.43 2gya n GLY 6 Ca 0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2gya n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gya s GLY 7 N 0.00 1.84 0.00 -0.02 0.00 -1.26 -5.15 107.32 102.73 2gya s GLY 7 Ca 0.40 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2gya s GLY 7 CO 0.17 -1.85 0.00 1.44 0.00 0.00 0.00 173.10 172.86 2gya n SER 8 N -0.59 0.00 -4.42 1.64 7.64 -1.26 -5.07 113.62 111.56 2gya n SER 8 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 2gya n SER 8 Cb 0.63 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 64.04 2gya n SER 8 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2gya n THR 9 N 0.00 0.00 -5.15 0.44 -1.04 -1.26 -5.04 114.28 102.23 2gya n THR 9 Ca 0.00 -0.34 -0.31 0.00 -2.04 0.00 0.00 64.05 61.36 2gya n THR 9 Cb 0.00 -0.84 -0.17 0.00 -1.82 0.00 0.00 70.33 67.50 2gya n THR 9 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2gya s ARG 10 N -4.05 2.77 0.33 -2.82 3.52 -1.26 -5.14 118.95 112.30 2gya s ARG 10 Ca 0.63 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 55.48 2gya s ARG 10 Cb -0.21 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 2gya s ARG 10 CO 0.65 0.21 0.21 0.54 -0.81 0.00 0.00 175.30 176.10 2gya s ASN 11 N 0.26 4.99 0.00 -2.12 4.22 -1.26 -5.09 114.94 115.94 2gya s ASN 11 Ca -0.15 -0.62 0.00 0.00 -2.14 0.00 0.00 52.86 49.95 2gya s ASN 11 Cb -0.17 -0.87 0.00 0.00 1.28 0.00 0.00 41.25 41.50 2gya s ASN 11 CO 0.07 -0.31 0.00 0.61 -2.04 0.00 0.00 177.10 175.43 2gya n GLY 12 N -1.25 -0.00 0.00 0.45 0.00 -1.26 -5.18 105.19 97.94 2gya n GLY 12 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2gya n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2gya n ARG 13 N 0.00 3.02 -3.95 1.61 0.00 -1.26 -5.15 116.66 110.93 2gya n ARG 13 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2gya n ARG 13 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 2gya n ARG 13 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2gya s ASP 14 N 1.00 6.19 0.59 2.89 -4.77 -1.26 -5.08 116.67 116.23 2gya s ASP 14 Ca 0.00 0.22 -0.20 0.00 -3.30 0.00 0.00 52.55 49.27 2gya s ASP 14 Cb 0.00 -1.87 -0.03 0.00 -1.09 0.00 0.00 42.92 39.93 2gya s ASP 14 CO 0.00 0.18 1.33 -0.44 0.70 0.00 0.00 175.17 176.95 2gya s SER 15 N -2.40 4.94 -0.68 2.11 0.01 -1.26 -4.96 113.70 111.46 2gya s SER 15 Ca 0.33 2.71 0.04 0.00 1.31 0.00 0.00 55.95 60.34 2gya s SER 15 Cb -0.13 -2.63 0.29 0.00 0.21 0.00 0.00 66.02 63.76 2gya s SER 15 CO 0.25 -1.79 0.95 1.21 0.41 0.00 0.00 173.24 174.27 2gya n GLU 16 N -1.44 3.12 -4.23 12.44 0.00 -1.26 -5.04 120.64 124.23 2gya n GLU 16 Ca 0.13 -4.73 -0.16 0.00 0.00 0.00 0.00 57.16 52.40 2gya n GLU 16 Cb 0.46 -2.29 -0.11 0.00 0.00 0.00 0.00 31.44 29.51 2gya n GLU 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gya s ALA 17 N -2.96 1.39 0.00 4.31 0.00 -1.26 -4.73 121.76 118.51 2gya s ALA 17 Ca 0.42 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2gya s ALA 17 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2gya s ALA 17 CO -0.05 0.01 0.00 1.63 0.00 0.00 0.00 175.76 177.35 2gya n LYS 18 N 0.31 0.64 -2.52 0.00 4.76 -0.33 -4.97 118.16 116.05 2gya n LYS 18 Ca -0.14 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.15 2gya n LYS 18 Cb 0.58 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.80 2gya n LYS 18 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2gya n ARG 19 N 0.00 2.42 -2.21 1.97 5.12 -1.26 -3.59 116.66 119.11 2gya n ARG 19 Ca 0.00 -3.84 -0.42 0.00 -1.93 0.00 0.00 57.85 51.65 2gya n ARG 19 Cb 0.00 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 2gya n ARG 19 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2gya s LEU 20 N -3.49 4.36 0.00 0.55 2.34 -1.26 -4.23 118.68 116.95 2gya s LEU 20 Ca 0.38 2.26 0.00 0.00 0.06 0.00 0.00 54.13 56.83 2gya s LEU 20 Cb 0.40 -3.58 0.00 0.00 -0.56 0.00 0.00 46.19 42.45 2gya s LEU 20 CO -0.04 -0.64 0.00 0.61 -1.06 0.00 0.00 176.35 175.22 2gya n GLY 21 N 3.48 0.30 0.33 -3.48 0.00 -1.26 0.26 105.19 104.82 2gya n GLY 21 Ca 0.11 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.82 2gya n GLY 21 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gya h VAL 22 N 0.00 0.96 -3.71 1.61 2.07 -1.99 -3.43 116.25 111.76 2gya h VAL 22 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2gya h VAL 22 Cb 0.65 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2gya h VAL 22 CO 0.00 0.08 -0.66 0.29 0.02 0.00 0.00 177.57 177.30 2gya n LYS 23 N -4.47 -2.21 0.00 1.57 5.02 -1.26 -4.84 118.16 111.96 2gya n LYS 23 Ca 0.07 1.91 0.00 0.00 -2.02 0.00 0.00 58.31 58.27 2gya n LYS 23 Cb 0.26 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2gya n LYS 23 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2gya n ARG 24 N 0.80 0.00 -4.44 1.97 0.63 -1.26 -3.81 116.66 110.55 2gya n ARG 24 Ca -0.14 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.57 2gya n ARG 24 Cb 0.22 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.03 2gya n ARG 24 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2gya s PHE 25 N 0.00 1.81 0.95 -0.14 0.08 -1.26 -4.91 117.98 114.50 2gya s PHE 25 Ca 0.00 -1.13 -0.12 0.00 0.12 0.00 0.00 56.93 55.80 2gya s PHE 25 Cb 0.00 -1.15 0.06 0.00 -0.57 0.00 0.00 43.02 41.36 2gya s PHE 25 CO 0.00 -0.18 0.57 0.41 -0.10 0.00 0.00 175.22 175.92 2gya n GLY 26 N -0.71 -1.65 3.15 4.36 0.00 -1.26 -4.72 105.19 104.35 2gya n GLY 26 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.30 2gya n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gya s GLY 27 N -2.16 -0.39 0.52 -0.02 0.00 -1.26 -4.96 107.32 99.05 2gya s GLY 27 Ca 0.59 2.72 -0.22 0.00 0.00 0.00 0.00 44.72 47.81 2gya s GLY 27 CO 0.65 3.86 1.30 1.85 0.00 0.00 0.00 173.10 180.77 2gya s GLU 28 N 2.96 3.30 -0.65 2.90 2.56 -1.26 -4.81 118.70 123.70 2gya s GLU 28 Ca 0.01 2.10 -0.26 0.00 0.00 0.00 0.00 54.97 56.83 2gya s GLU 28 Cb -0.09 -2.29 -0.12 0.00 2.00 0.00 0.00 34.13 33.63 2gya s GLU 28 CO -0.12 -1.02 2.43 0.43 -0.56 0.00 0.00 175.26 176.42 2gya n SER 29 N -0.90 1.83 -3.06 -1.70 7.64 -1.26 -4.81 113.62 111.36 2gya n SER 29 Ca 0.10 -0.76 -0.11 0.00 1.01 0.00 0.00 58.87 59.11 2gya n SER 29 Cb 0.46 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2gya n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gya s VAL 30 N 12.28 0.00 -0.42 0.44 0.11 -1.26 -4.77 120.40 126.79 2gya s VAL 30 Ca 1.01 -1.21 -0.27 0.00 -2.93 0.00 0.00 61.98 58.58 2gya s VAL 30 Cb -0.28 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.74 2gya s VAL 30 CO 0.24 0.00 2.21 -1.48 -3.33 0.00 0.00 175.10 172.74 2gya s LEU 31 N -3.13 3.41 -0.51 2.54 2.34 -1.26 -4.45 118.68 117.62 2gya s LEU 31 Ca 0.21 1.21 -0.26 0.00 0.06 0.00 0.00 54.13 55.35 2gya s LEU 31 Cb -0.03 -2.89 0.03 0.00 -0.56 0.00 0.00 46.19 42.74 2gya s LEU 31 CO 0.14 -2.44 1.00 0.00 -1.06 0.00 0.00 176.35 174.00 2gya s ALA 32 N 10.14 3.16 0.00 1.48 0.00 -1.24 -4.82 121.76 130.49 2gya s ALA 32 Ca 0.92 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2gya s ALA 32 Cb -0.21 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2gya s ALA 32 CO 0.28 -2.28 0.00 0.41 0.00 0.00 0.00 175.76 174.18 2gya n GLY 33 N 5.00 0.26 3.11 0.00 0.00 0.14 -4.58 105.19 109.13 2gya n GLY 33 Ca 0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 2gya n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gya s SER 34 N -1.66 -0.27 0.00 1.61 0.15 -1.24 -4.69 113.70 107.61 2gya s SER 34 Ca 0.00 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2gya s SER 34 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2gya s SER 34 CO 0.00 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.33 2gya n ILE 35 N 3.39 0.00 -4.39 6.45 0.13 -1.26 -1.19 119.36 122.49 2gya n ILE 35 Ca -0.17 0.00 -0.26 0.00 -1.10 0.00 0.00 62.75 61.22 2gya n ILE 35 Cb 0.56 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 39.26 2gya n ILE 35 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 2gya s ILE 36 N -0.45 2.62 0.48 9.51 2.07 -1.26 -4.72 121.20 129.45 2gya s ILE 36 Ca 0.00 -2.01 0.04 0.00 -1.41 0.00 0.00 60.65 57.27 2gya s ILE 36 Cb 0.00 -2.30 0.02 0.00 0.13 0.00 0.00 42.46 40.31 2gya s ILE 36 CO 0.00 -0.18 0.67 0.54 -1.91 0.00 0.00 174.94 174.06 2gya s VAL 37 N -1.86 3.02 -0.20 4.00 0.11 -1.26 -4.08 120.40 120.13 2gya s VAL 37 Ca 0.24 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.45 2gya s VAL 37 Cb -0.08 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 31.71 2gya s VAL 37 CO 0.12 -0.04 0.08 0.54 -3.33 0.00 0.00 175.10 172.47 2gya n ARG 38 N -2.08 -3.04 -3.63 1.54 5.12 -1.25 -4.83 116.66 108.49 2gya n ARG 38 Ca 0.07 2.47 -0.07 0.00 -1.93 0.00 0.00 57.85 58.40 2gya n ARG 38 Cb 0.59 -4.26 -0.06 0.00 -1.16 0.00 0.00 32.46 27.57 2gya n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2gya s GLN 39 N -1.04 0.33 0.25 5.56 2.00 -1.24 -4.77 119.66 120.74 2gya s GLN 39 Ca -0.09 0.24 0.04 0.00 -2.00 0.00 0.00 55.36 53.54 2gya s GLN 39 Cb 0.01 0.16 -0.01 0.00 0.80 0.00 0.00 33.01 33.96 2gya s GLN 39 CO 0.60 -0.07 0.26 0.54 -0.50 0.00 0.00 175.29 176.12 2gya n ARG 40 N 1.37 0.37 0.00 1.67 3.00 -1.26 -4.58 116.66 117.24 2gya n ARG 40 Ca -0.09 -2.35 0.00 0.00 -0.01 0.00 0.00 57.85 55.40 2gya n ARG 40 Cb 0.57 2.02 0.00 0.00 0.00 0.00 0.00 32.46 35.05 2gya n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2gya n GLY 41 N -0.46 2.27 3.66 -0.13 0.00 -1.26 -4.83 105.19 104.44 2gya n GLY 41 Ca 0.04 -0.66 -0.47 0.00 0.00 0.00 0.00 46.02 44.93 2gya n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gya n THR 42 N 0.00 0.04 0.04 2.61 -2.24 -1.26 -4.87 114.28 108.60 2gya n THR 42 Ca 0.00 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2gya n THR 42 Cb 0.00 -1.49 0.02 0.00 -2.10 0.00 0.00 70.33 66.76 2gya n THR 42 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2gya n LYS 43 N 3.55 1.04 0.00 -0.78 -0.00 -1.26 -0.42 118.16 120.29 2gya n LYS 43 Ca 0.17 -1.12 0.00 0.00 -0.00 0.00 0.00 58.31 57.37 2gya n LYS 43 Cb 0.28 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 2gya n LYS 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2gya n PHE 44 N -0.03 0.00 -2.73 5.58 3.72 -1.26 -1.38 117.46 121.36 2gya n PHE 44 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 2gya n PHE 44 Cb 0.17 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2gya n PHE 44 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2gya s HIS 45 N -0.32 3.03 -0.32 1.38 5.65 -1.26 -4.87 115.29 118.58 2gya s HIS 45 Ca 0.00 0.82 0.18 0.00 0.25 0.00 0.00 55.06 56.30 2gya s HIS 45 Cb 0.00 -3.84 0.46 0.00 -1.18 0.00 0.00 32.58 28.02 2gya s HIS 45 CO 0.00 -0.93 0.96 0.00 -0.65 0.00 0.00 174.74 174.12 2gya n ALA 46 N 7.04 3.38 -2.32 1.58 0.00 -1.26 -4.69 120.51 124.24 2gya n ALA 46 Ca 0.09 -3.10 -0.40 0.00 0.00 0.00 0.00 53.44 50.03 2gya n ALA 46 Cb 0.48 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2gya n ALA 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gya s GLY 47 N -3.09 0.59 -0.24 0.00 0.00 -1.26 -4.47 107.32 98.85 2gya s GLY 47 Ca 0.27 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 2gya s GLY 47 CO 0.04 3.00 0.24 0.00 0.00 0.00 0.00 173.10 176.38 2gya s ALA 48 N 7.24 -0.27 0.03 3.20 0.00 -1.26 -3.06 121.76 127.64 2gya s ALA 48 Ca 0.50 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2gya s ALA 48 Cb -0.10 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2gya s ALA 48 CO 0.16 -1.43 -0.07 1.21 0.00 0.00 0.00 175.76 175.63 2gya s ASN 49 N 2.32 0.80 -0.34 0.00 2.47 -1.26 -4.03 114.94 114.90 2gya s ASN 49 Ca 0.08 -0.46 -0.40 0.00 0.42 0.00 0.00 52.86 52.50 2gya s ASN 49 Cb -0.15 0.02 -0.15 0.00 -1.45 0.00 0.00 41.25 39.51 2gya s ASN 49 CO -0.22 -0.15 1.90 1.33 -3.72 0.00 0.00 177.10 176.24 2gya n VAL 50 N 1.76 0.22 0.00 -5.21 0.24 -1.26 -4.23 118.33 109.85 2gya n VAL 50 Ca -0.21 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2gya n VAL 50 Cb 0.55 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 2gya n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gya n GLY 51 N 5.21 -0.22 0.00 7.63 0.00 -1.26 -4.87 105.19 111.68 2gya n GLY 51 Ca 0.34 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.54 2gya n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya n GLY 53 N 0.11 -2.48 3.81 0.00 0.00 -1.26 -5.11 105.19 100.26 2gya n GLY 53 Ca 0.13 -2.15 -0.07 0.00 0.00 0.00 0.00 46.02 43.93 2gya n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gya s ARG 54 N -0.66 1.65 0.26 1.61 6.06 -1.24 -4.76 118.95 121.87 2gya s ARG 54 Ca 0.00 -0.89 -0.10 0.00 -2.50 0.00 0.00 55.73 52.24 2gya s ARG 54 Cb 0.00 0.58 0.04 0.00 0.06 0.00 0.00 34.95 35.63 2gya s ARG 54 CO 0.00 -0.75 0.54 -0.40 -2.50 0.00 0.00 175.30 172.19 2gya n ASP 55 N -0.45 -1.53 -3.35 -2.12 5.75 -1.17 -4.62 116.55 109.05 2gya n ASP 55 Ca -0.05 -2.05 0.01 0.00 -0.01 0.00 0.00 54.79 52.69 2gya n ASP 55 Cb 0.60 2.55 0.01 0.00 -1.03 0.00 0.00 41.12 43.25 2gya n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2gya n HIS 56 N -0.37 -0.62 -3.99 2.11 8.25 -1.26 -4.53 115.22 114.82 2gya n HIS 56 Ca -0.06 -0.77 0.02 0.00 -0.26 0.00 0.00 57.72 56.65 2gya n HIS 56 Cb 0.40 0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.88 2gya n HIS 56 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2gya n THR 57 N -0.76 0.00 -0.06 1.59 5.66 -1.25 -4.97 114.28 114.48 2gya n THR 57 Ca 0.02 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2gya n THR 57 Cb 0.51 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 2gya n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gya n LEU 58 N 0.00 0.00 0.00 1.09 -0.00 -1.18 -4.00 117.00 112.91 2gya n LEU 58 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2gya n LEU 58 Cb 0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2gya n LEU 58 CO 0.07 -0.04 0.00 2.22 -0.00 0.00 0.00 177.39 179.64 2gya n PHE 59 N 1.20 0.00 -2.72 1.47 -1.74 -1.26 -4.27 117.46 110.14 2gya n PHE 59 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2gya n PHE 59 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 2gya n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2gya s ALA 60 N 0.00 3.12 -0.28 1.98 0.00 -1.26 -4.50 121.76 120.81 2gya s ALA 60 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 2gya s ALA 60 Cb 0.00 -3.84 0.12 0.00 0.00 0.00 0.00 23.12 19.40 2gya s ALA 60 CO 0.00 -2.41 0.62 0.21 0.00 0.00 0.00 175.76 174.19 2gya s LYS 61 N 4.32 0.56 0.01 0.00 2.47 -1.26 -5.00 119.74 120.84 2gya s LYS 61 Ca 0.38 1.37 -0.30 0.00 -1.56 0.00 0.00 55.97 55.87 2gya s LYS 61 Cb -0.10 0.72 -0.08 0.00 -1.46 0.00 0.00 37.83 36.91 2gya s LYS 61 CO 0.24 -0.20 1.94 0.00 0.16 0.00 0.00 175.35 177.49 2gya s ALA 62 N 2.71 3.53 0.07 3.13 0.00 -1.26 -4.71 121.76 125.23 2gya s ALA 62 Ca -0.06 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2gya s ALA 62 Cb -0.11 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2gya s ALA 62 CO -0.18 -1.63 0.00 -3.47 0.00 0.00 0.00 175.76 170.48 2gya n ASP 63 N 7.75 -1.53 0.00 0.00 -0.08 -0.48 -4.72 116.55 117.49 2gya n ASP 63 Ca 0.20 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 2gya n ASP 63 Cb 0.42 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.08 2gya n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2gya n GLY 64 N -2.14 -0.17 3.24 0.27 0.00 -1.20 -4.29 105.19 100.90 2gya n GLY 64 Ca -0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2gya n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gya n LYS 65 N 0.00 -4.68 -0.43 1.61 4.01 0.44 -4.05 118.16 115.05 2gya n LYS 65 Ca 0.00 -1.39 0.00 0.00 -0.51 0.00 0.00 58.31 56.41 2gya n LYS 65 Cb 0.00 -1.94 0.00 0.00 -0.51 0.00 0.00 35.03 32.58 2gya n LYS 65 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 2gya n VAL 66 N -5.78 0.00 -0.08 -0.18 3.14 -1.26 -3.71 118.33 110.46 2gya n VAL 66 Ca 0.13 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.36 2gya n VAL 66 Cb 0.60 -0.92 -0.09 0.00 -1.06 0.00 0.00 33.84 32.36 2gya n VAL 66 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2gya h LYS 67 N 0.00 0.00 0.00 1.45 6.56 -1.83 -3.44 116.57 119.31 2gya h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2gya h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2gya h LYS 67 CO 0.00 0.74 0.00 0.34 -2.06 0.00 0.00 179.45 178.47 2gya n PHE 68 N -4.56 0.00 -1.53 -1.35 7.35 -1.26 -3.67 117.46 112.44 2gya n PHE 68 Ca -0.17 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.25 2gya n PHE 68 Cb 0.47 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.21 2gya n PHE 68 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2gya n GLU 69 N 0.00 0.72 0.00 -4.13 -0.00 -1.26 -4.05 120.64 111.92 2gya n GLU 69 Ca 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 57.16 55.30 2gya n GLU 69 Cb 0.00 -3.55 0.00 0.00 -0.00 0.00 0.00 31.44 27.89 2gya n GLU 69 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2gya n VAL 70 N 8.05 0.00 -2.02 3.84 0.24 -1.26 -4.94 118.33 122.23 2gya n VAL 70 Ca 0.44 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.47 2gya n VAL 70 Cb 0.45 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.76 2gya n VAL 70 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2gya s LYS 71 N 2.50 2.39 -0.73 7.34 3.01 -1.26 -3.90 119.74 129.09 2gya s LYS 71 Ca 0.00 -0.92 -0.04 0.00 -1.01 0.00 0.00 55.97 54.00 2gya s LYS 71 Cb 0.00 -5.18 -0.05 0.00 -1.01 0.00 0.00 37.83 31.59 2gya s LYS 71 CO 0.00 -3.99 0.64 0.41 0.51 0.00 0.00 175.35 172.93 2gya n GLY 72 N 6.05 -0.56 0.26 -3.33 0.00 -1.26 -4.65 105.19 101.69 2gya n GLY 72 Ca 0.44 0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.91 2gya n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gya h PRO 73 N -0.73 0.00 -6.85 1.61 0.13 -1.70 -3.36 132.00 121.09 2gya h PRO 73 Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 2gya h PRO 73 Cb 1.21 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.51 2gya h PRO 73 CO 0.31 0.14 0.12 1.63 -0.23 0.00 0.00 178.00 179.96 2gya n LYS 74 N -3.65 0.83 -3.55 0.86 5.02 -1.26 -4.68 118.16 111.73 2gya n LYS 74 Ca -0.02 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 2gya n LYS 74 Cb 0.26 -2.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.01 2gya n LYS 74 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2gya s ASN 75 N -1.31 5.71 0.00 4.39 0.01 -1.26 -4.66 114.94 117.82 2gya s ASN 75 Ca 0.77 -1.91 0.00 0.00 -0.71 0.00 0.00 52.86 51.00 2gya s ASN 75 Cb -0.40 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.24 2gya s ASN 75 CO 0.47 -0.70 0.00 0.54 -1.51 0.00 0.00 177.10 175.90 2gya n ARG 76 N 4.91 1.87 -3.83 -0.60 5.12 -1.26 -4.90 116.66 117.97 2gya n ARG 76 Ca -0.08 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.55 2gya n ARG 76 Cb 0.41 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.55 2gya n ARG 76 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2gya s LYS 77 N 0.00 1.11 0.03 5.56 1.02 -1.26 -4.88 119.74 121.33 2gya s LYS 77 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2gya s LYS 77 Cb 0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2gya s LYS 77 CO 0.00 -0.65 0.00 0.34 -0.92 0.00 0.00 175.35 174.12 2gya n PHE 78 N 4.85 -0.25 0.00 3.18 7.35 -1.26 -5.03 117.46 126.31 2gya n PHE 78 Ca -0.10 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 2gya n PHE 78 Cb 0.45 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 40.06 2gya n PHE 78 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 2gya n ILE 79 N -2.35 0.00 -3.57 -2.13 0.00 -1.26 -4.71 119.36 105.34 2gya n ILE 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 2gya n ILE 79 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.05 2gya n ILE 79 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2gya n SER 80 N 0.00 0.84 0.00 9.51 2.88 -1.26 -4.49 113.62 121.10 2gya n SER 80 Ca 0.00 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 2gya n SER 80 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2gya n SER 80 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2gya n ILE 81 N 0.00 0.00 0.00 2.46 2.08 -1.26 -3.08 119.36 119.56 2gya n ILE 81 Ca 0.00 0.72 0.00 0.00 0.56 0.00 0.00 62.75 64.03 2gya n ILE 81 Cb 0.00 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.29 2gya n ILE 81 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2gya n GLU 82 N -0.27 0.00 -3.16 0.38 1.02 -1.26 -4.33 120.64 113.02 2gya n GLU 82 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2gya n GLU 82 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2gya n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gya s ALA 83 N -0.96 -1.14 -2.00 0.62 0.00 -1.26 -5.22 121.76 111.80 2gya s ALA 83 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2gya s ALA 83 Cb 0.00 -2.35 0.22 0.00 0.00 0.00 0.00 23.12 20.99 2gya s ALA 83 CO 0.00 -2.17 0.70 -0.85 0.00 0.00 0.00 175.76 173.44