#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0g s SER 22 N 0.00 2.22 -0.50 6.43 0.01 -1.26 -3.81 113.70 116.78 1d0g s SER 22 Ca 0.00 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.60 1d0g s SER 22 Cb 0.00 -0.80 0.03 0.00 0.21 0.00 0.00 66.02 65.46 1d0g s SER 22 CO 0.00 0.12 1.14 -2.84 0.41 0.00 0.00 173.24 172.07 1d0g s PRO 23 N 0.26 3.66 -0.57 12.44 0.02 -1.26 -4.85 135.00 144.70 1d0g s PRO 23 Ca -0.09 0.46 -0.28 0.00 0.02 0.00 0.00 61.00 61.11 1d0g s PRO 23 Cb -0.14 -3.94 0.03 0.00 0.02 0.00 0.00 34.50 30.47 1d0g s PRO 23 CO 0.04 -1.45 1.24 0.45 -0.33 0.00 0.00 177.00 176.95 1d0g s SER 24 N 2.58 6.38 -0.61 2.53 0.15 -0.24 -3.89 113.70 120.59 1d0g s SER 24 Ca 0.46 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1d0g s SER 24 Cb -0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1d0g s SER 24 CO 0.30 -1.53 0.00 -0.62 1.20 0.00 0.00 173.24 172.59 1d0g n GLU 25 N 8.48 -0.52 -0.18 5.44 -0.58 -1.26 -2.59 120.64 129.43 1d0g n GLU 25 Ca 0.10 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1d0g n GLU 25 Cb 0.49 -4.39 0.00 0.00 -0.57 0.00 0.00 31.44 26.97 1d0g n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d0g n GLY 26 N -2.04 0.91 3.08 0.62 0.00 -1.25 -5.08 105.19 101.43 1d0g n GLY 26 Ca -0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1d0g n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d0g s LEU 27 N 0.00 2.20 0.10 0.99 1.43 -1.07 -4.61 118.68 117.73 1d0g s LEU 27 Ca 0.00 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1d0g s LEU 27 Cb 0.00 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 1d0g s LEU 27 CO 0.00 -0.09 0.06 0.00 0.23 0.00 0.00 176.35 176.55 1d0g s PRO 29 N -2.48 1.85 0.36 0.00 0.04 -1.26 -0.52 135.00 132.99 1d0g s PRO 29 Ca 0.28 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 1d0g s PRO 29 Cb -0.12 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1d0g s PRO 29 CO 0.21 -1.77 0.94 -2.30 0.04 0.00 0.00 177.00 174.12 1d0g n PRO 30 N -3.52 1.23 -0.60 0.56 -0.02 -1.25 -2.09 135.00 129.30 1d0g n PRO 30 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1d0g n PRO 30 Cb 0.57 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1d0g n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d0g n GLY 31 N 1.29 0.71 3.44 -1.23 0.00 -0.10 -4.93 105.19 104.38 1d0g n GLY 31 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1d0g n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d0g s HIS 32 N -2.12 1.02 0.10 1.61 3.76 -0.89 -0.18 115.29 118.59 1d0g s HIS 32 Ca 0.00 -1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 1d0g s HIS 32 Cb 0.00 -0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.53 1d0g s HIS 32 CO 0.00 -1.01 0.24 -3.38 -0.85 0.00 0.00 174.74 169.75 1d0g s HIS 33 N -3.44 0.07 0.52 1.40 -3.43 -0.54 -4.80 115.29 105.07 1d0g s HIS 33 Ca 0.31 -0.47 -0.06 0.00 -0.80 0.00 0.00 55.06 54.04 1d0g s HIS 33 Cb 0.01 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.15 1d0g s HIS 33 CO 0.18 -0.59 0.84 0.96 -2.00 0.00 0.00 174.74 174.13 1d0g s ILE 34 N -3.85 4.82 0.65 -5.38 -4.36 -0.30 -0.90 121.20 111.88 1d0g s ILE 34 Ca 0.05 0.34 -0.08 0.00 -0.26 0.00 0.00 60.65 60.69 1d0g s ILE 34 Cb 0.04 -3.85 0.02 0.00 1.25 0.00 0.00 42.46 39.92 1d0g s ILE 34 CO -0.11 -0.90 0.99 -0.94 0.24 0.00 0.00 174.94 174.22 1d0g s SER 35 N -4.13 5.44 0.17 4.36 1.04 -0.15 -4.42 113.70 116.01 1d0g s SER 35 Ca 0.49 0.83 -0.20 0.00 0.48 0.00 0.00 55.95 57.55 1d0g s SER 35 Cb -0.10 -1.71 0.09 0.00 0.10 0.00 0.00 66.02 64.39 1d0g s SER 35 CO 0.47 -1.23 1.62 -0.08 0.98 0.00 0.00 173.24 174.99 1d0g h GLU 36 N -0.40 -0.17 0.00 4.02 4.57 -1.93 -1.04 114.58 119.63 1d0g h GLU 36 Ca -0.45 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.68 1d0g h GLU 36 Cb 1.26 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1d0g h GLU 36 CO 0.62 -0.11 -0.31 0.38 -1.18 0.00 0.00 179.01 178.41 1d0g h ASP 37 N -0.18 0.00 0.00 1.04 2.03 -1.97 -3.47 116.42 113.88 1d0g h ASP 37 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1d0g h ASP 37 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1d0g h ASP 37 CO -0.51 0.31 0.00 0.61 -1.03 0.00 0.00 179.24 178.62 1d0g n GLY 38 N -0.61 0.93 0.00 7.15 0.00 -0.39 -4.97 105.19 107.29 1d0g n GLY 38 Ca -0.02 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.54 1d0g n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d0g n ARG 39 N -1.75 2.42 -4.18 1.61 0.63 -1.26 -4.91 116.66 109.22 1d0g n ARG 39 Ca 0.00 -0.04 -0.19 0.00 -0.92 0.00 0.00 57.85 56.71 1d0g n ARG 39 Cb 0.13 -1.08 -0.12 0.00 0.45 0.00 0.00 32.46 31.84 1d0g n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1d0g s ASP 40 N -2.42 1.72 -0.27 6.15 1.01 -1.26 -4.48 116.67 117.12 1d0g s ASP 40 Ca 0.01 -0.61 -0.05 0.00 0.71 0.00 0.00 52.55 52.61 1d0g s ASP 40 Cb 0.07 -0.06 0.01 0.00 1.01 0.00 0.00 42.92 43.96 1d0g s ASP 40 CO 0.42 -0.07 0.02 0.00 0.21 0.00 0.00 175.17 175.75 1d0g s ILE 42 N 1.45 5.35 0.51 0.00 1.01 -0.08 -3.59 121.20 125.86 1d0g s ILE 42 Ca 0.02 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.62 1d0g s ILE 42 Cb -0.17 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 1d0g s ILE 42 CO -0.00 0.46 1.34 -0.55 0.00 0.00 0.00 174.94 176.19 1d0g s SER 43 N 0.23 5.53 0.49 3.58 0.15 -1.26 -1.46 113.70 120.96 1d0g s SER 43 Ca 0.08 2.72 -0.19 0.00 0.70 0.00 0.00 55.95 59.26 1d0g s SER 43 Cb -0.11 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.48 1d0g s SER 43 CO -0.01 -1.39 1.01 0.00 1.20 0.00 0.00 173.24 174.05 1d0g s LYS 45 N -3.45 4.05 0.11 0.00 2.47 -1.26 -4.89 119.74 116.77 1d0g s LYS 45 Ca 0.64 0.88 -0.35 0.00 -1.56 0.00 0.00 55.97 55.59 1d0g s LYS 45 Cb -0.14 -3.71 -0.14 0.00 -1.46 0.00 0.00 37.83 32.37 1d0g s LYS 45 CO 0.22 -0.74 1.55 0.98 0.16 0.00 0.00 175.35 177.52 1d0g n TYR 46 N 6.44 2.09 0.00 4.03 4.19 -1.26 -1.40 117.16 131.25 1d0g n TYR 46 Ca 0.08 0.34 0.00 0.00 3.31 0.00 0.00 57.90 61.63 1d0g n TYR 46 Cb 0.47 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.80 1d0g n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1d0g n GLY 47 N 3.30 2.84 0.28 2.98 0.00 -1.22 -4.80 105.19 108.57 1d0g n GLY 47 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1d0g n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d0g n GLN 48 N -2.00 0.46 -4.32 1.61 7.27 -0.49 -4.88 117.38 115.03 1d0g n GLN 48 Ca 0.00 0.19 -0.20 0.00 0.07 0.00 0.00 57.00 57.06 1d0g n GLN 48 Cb 0.00 -1.28 -0.08 0.00 2.41 0.00 0.00 30.24 31.28 1d0g n GLN 48 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1d0g s ASP 49 N -6.45 1.71 0.26 1.69 1.47 -0.57 -1.28 116.67 113.51 1d0g s ASP 49 Ca -0.27 -1.70 -0.20 0.00 1.18 0.00 0.00 52.55 51.55 1d0g s ASP 49 Cb 0.07 0.53 0.06 0.00 -0.34 0.00 0.00 42.92 43.24 1d0g s ASP 49 CO 0.37 -1.01 0.89 -0.72 0.68 0.00 0.00 175.17 175.38 1d0g s TYR 50 N -3.48 0.01 -0.29 2.11 1.13 -0.21 -4.28 117.35 112.33 1d0g s TYR 50 Ca 0.37 -0.49 -0.15 0.00 -1.41 0.00 0.00 57.07 55.39 1d0g s TYR 50 Cb 0.03 0.74 0.12 0.00 -1.10 0.00 0.00 41.96 41.75 1d0g s TYR 50 CO 0.23 -1.18 0.79 -1.54 -2.51 0.00 0.00 175.55 171.35 1d0g s SER 51 N -3.12 -0.83 0.00 -0.18 1.04 -0.96 -0.26 113.70 109.40 1d0g s SER 51 Ca 0.16 1.26 0.23 0.00 0.48 0.00 0.00 55.95 58.08 1d0g s SER 51 Cb -0.04 1.55 0.15 0.00 0.10 0.00 0.00 66.02 67.78 1d0g s SER 51 CO 0.07 -0.19 1.19 0.35 0.98 0.00 0.00 173.24 175.64 1d0g n THR 52 N 4.45 0.00 -4.27 2.02 -2.24 -1.26 -0.92 114.28 112.06 1d0g n THR 52 Ca -0.17 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.22 1d0g n THR 52 Cb 0.56 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 1d0g n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1d0g s HIS 53 N -2.45 1.32 0.29 4.78 3.76 -1.26 -4.78 115.29 116.94 1d0g s HIS 53 Ca 0.20 -0.96 -0.30 0.00 -0.15 0.00 0.00 55.06 53.85 1d0g s HIS 53 Cb 0.18 -0.75 -0.11 0.00 1.11 0.00 0.00 32.58 33.02 1d0g s HIS 53 CO 0.55 -0.13 1.51 -1.58 -0.85 0.00 0.00 174.74 174.24 1d0g s TRP 54 N -3.55 2.83 0.31 1.40 0.52 -1.26 -3.76 118.94 115.43 1d0g s TRP 54 Ca 0.24 0.95 -0.13 0.00 0.02 0.00 0.00 56.10 57.19 1d0g s TRP 54 Cb 0.06 -3.96 0.02 0.00 -1.15 0.00 0.00 33.47 28.43 1d0g s TRP 54 CO 0.05 -3.12 0.60 0.54 0.02 0.00 0.00 176.95 175.04 1d0g s ASN 55 N 0.31 0.13 -0.11 2.95 2.20 0.32 -4.89 114.94 115.85 1d0g s ASN 55 Ca 0.60 -1.05 0.14 0.00 -0.94 0.00 0.00 52.86 51.61 1d0g s ASN 55 Cb -0.45 0.69 0.31 0.00 -2.00 0.00 0.00 41.25 39.80 1d0g s ASN 55 CO 0.49 -1.35 1.15 -0.90 -2.94 0.00 0.00 177.10 173.55 1d0g n ASP 56 N -0.88 1.53 -4.77 3.54 5.68 -1.26 -0.16 116.55 120.23 1d0g n ASP 56 Ca -0.03 -3.01 -0.38 0.00 -0.50 0.00 0.00 54.79 50.87 1d0g n ASP 56 Cb 0.61 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 1d0g n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1d0g s LEU 57 N -2.06 4.11 -0.01 -2.12 1.43 -1.26 -4.68 118.68 114.09 1d0g s LEU 57 Ca 0.29 2.45 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 1d0g s LEU 57 Cb 0.28 -4.09 0.18 0.00 0.03 0.00 0.00 46.19 42.59 1d0g s LEU 57 CO -0.04 -0.89 1.10 0.18 0.23 0.00 0.00 176.35 176.93 1d0g n LEU 58 N -0.21 1.23 -3.57 1.79 4.77 -1.26 -1.15 117.00 118.60 1d0g n LEU 58 Ca 0.06 -0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 1d0g n LEU 58 Cb 0.46 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1d0g n LEU 58 CO 0.51 0.28 0.79 0.72 -1.33 0.00 0.00 177.39 178.36 1d0g s PHE 59 N -1.70 -0.33 0.38 -1.77 -0.71 -1.26 -4.89 117.98 107.70 1d0g s PHE 59 Ca 0.13 0.49 -0.14 0.00 -1.04 0.00 0.00 56.93 56.37 1d0g s PHE 59 Cb 0.07 0.47 -0.08 0.00 -1.21 0.00 0.00 43.02 42.28 1d0g s PHE 59 CO 0.08 -0.36 0.79 0.00 -1.34 0.00 0.00 175.22 174.39 1d0g s LEU 61 N -3.40 4.55 0.28 0.00 1.43 0.64 -4.69 118.68 117.49 1d0g s LEU 61 Ca 0.54 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 1d0g s LEU 61 Cb -0.10 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1d0g s LEU 61 CO 0.23 -0.14 1.37 -0.13 0.23 0.00 0.00 176.35 177.91 1d0g s ARG 62 N -1.22 4.32 0.46 1.70 0.52 -1.26 -1.04 118.95 122.43 1d0g s ARG 62 Ca 0.45 2.23 -0.23 0.00 -0.52 0.00 0.00 55.73 57.66 1d0g s ARG 62 Cb -0.31 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 1d0g s ARG 62 CO 0.39 -0.30 1.22 0.00 0.02 0.00 0.00 175.30 176.64 1d0g s THR 64 N -1.44 3.79 -0.19 0.00 2.01 -1.26 -5.01 115.64 113.55 1d0g s THR 64 Ca 0.63 0.84 0.01 0.00 0.31 0.00 0.00 61.69 63.48 1d0g s THR 64 Cb -0.33 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 68.85 1d0g s THR 64 CO 0.40 -0.51 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.57 1d0g s ARG 65 N -4.10 2.15 0.21 4.92 0.52 -1.26 -4.74 118.95 116.66 1d0g s ARG 65 Ca 0.64 -0.78 -0.32 0.00 -0.52 0.00 0.00 55.73 54.75 1d0g s ARG 65 Cb -0.16 -2.35 -0.12 0.00 0.52 0.00 0.00 34.95 32.84 1d0g s ARG 65 CO 0.37 -0.37 1.68 0.00 0.02 0.00 0.00 175.30 177.00 1d0g s ASP 67 N 1.01 6.65 0.31 0.00 -4.77 -1.26 -4.96 116.67 113.65 1d0g s ASP 67 Ca 0.74 1.07 -0.30 0.00 -3.30 0.00 0.00 52.55 50.76 1d0g s ASP 67 Cb -0.54 -2.29 -0.11 0.00 -1.09 0.00 0.00 42.92 38.90 1d0g s ASP 67 CO 0.36 -0.18 1.56 -0.94 0.70 0.00 0.00 175.17 176.67 1d0g s SER 68 N -2.51 6.38 0.00 2.11 1.04 -1.26 -1.00 113.70 118.46 1d0g s SER 68 Ca 0.50 2.96 0.00 0.00 0.48 0.00 0.00 55.95 59.89 1d0g s SER 68 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1d0g s SER 68 CO 0.22 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1d0g n GLY 69 N 1.79 1.29 3.02 7.32 0.00 -1.26 -5.07 105.19 112.27 1d0g n GLY 69 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1d0g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d0g s GLU 70 N -0.12 0.87 -0.13 1.61 2.02 -0.17 0.27 118.70 123.05 1d0g s GLU 70 Ca 0.00 -0.33 -0.07 0.00 0.02 0.00 0.00 54.97 54.59 1d0g s GLU 70 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1d0g s GLU 70 CO 0.00 0.16 0.12 0.14 0.02 0.00 0.00 175.26 175.71 1d0g s VAL 71 N -0.03 5.34 -0.71 2.63 -7.23 0.16 -4.63 120.40 115.93 1d0g s VAL 71 Ca 0.01 0.15 -0.26 0.00 -1.81 0.00 0.00 61.98 60.06 1d0g s VAL 71 Cb -0.06 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1d0g s VAL 71 CO 0.00 0.58 1.59 -0.70 -0.31 0.00 0.00 175.10 176.26 1d0g s GLU 72 N -0.73 2.93 0.45 4.82 2.12 -1.26 -1.28 118.70 125.75 1d0g s GLU 72 Ca 0.13 0.06 0.17 0.00 0.36 0.00 0.00 54.97 55.69 1d0g s GLU 72 Cb -0.12 -4.41 1.06 0.00 0.26 0.00 0.00 34.13 30.93 1d0g s GLU 72 CO 0.03 -2.49 1.99 1.25 -0.54 0.00 0.00 175.26 175.50 1d0g h LEU 73 N 14.81 0.00 -7.00 2.70 5.85 -1.11 -3.44 115.31 127.13 1d0g h LEU 73 Ca -0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1d0g h LEU 73 Cb 1.09 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.90 1d0g h LEU 73 CO 1.26 0.19 0.18 -0.94 -0.34 0.00 0.00 178.44 178.78 1d0g s SER 74 N -6.83 -0.72 0.82 1.25 1.04 -1.06 -4.96 113.70 103.23 1d0g s SER 74 Ca -0.04 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 1d0g s SER 74 Cb 0.15 1.34 0.09 0.00 0.10 0.00 0.00 66.02 67.70 1d0g s SER 74 CO 0.68 -0.23 1.09 -2.16 0.98 0.00 0.00 173.24 173.61 1d0g s PRO 75 N 0.64 1.86 -0.07 4.02 0.04 -1.26 -1.16 135.00 139.06 1d0g s PRO 75 Ca -0.02 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 1d0g s PRO 75 Cb -0.05 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1d0g s PRO 75 CO -0.05 -1.90 0.84 0.00 0.04 0.00 0.00 177.00 175.93 1d0g s THR 77 N 1.25 1.52 0.31 0.00 -4.23 0.15 -3.44 115.64 111.20 1d0g s THR 77 Ca 0.43 -1.59 0.38 0.00 -1.18 0.00 0.00 61.69 59.73 1d0g s THR 77 Cb -0.19 -2.11 0.41 0.00 1.34 0.00 0.00 72.50 71.95 1d0g s THR 77 CO 0.20 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.41 1d0g h THR 78 N 0.85 0.00 0.00 3.99 1.03 -1.88 -3.07 112.91 113.83 1d0g h THR 78 Ca -0.38 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 1d0g h THR 78 Cb 1.31 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1d0g h THR 78 CO 0.60 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 176.46 1d0g n THR 79 N -3.02 0.00 -4.22 0.00 -2.24 -1.26 -2.26 114.28 101.29 1d0g n THR 79 Ca -0.01 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1d0g n THR 79 Cb 0.19 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.29 1d0g n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1d0g s ARG 80 N -0.70 0.66 0.33 -0.78 3.52 -1.16 -4.04 118.95 116.78 1d0g s ARG 80 Ca 0.00 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.20 1d0g s ARG 80 Cb 0.00 -0.65 -0.10 0.00 -1.56 0.00 0.00 34.95 32.64 1d0g s ARG 80 CO 0.00 0.06 0.87 1.21 -0.81 0.00 0.00 175.30 176.63 1d0g s ASN 81 N 0.26 7.08 0.37 -2.12 2.47 -1.26 0.33 114.94 122.07 1d0g s ASN 81 Ca -0.03 1.62 -0.26 0.00 0.42 0.00 0.00 52.86 54.61 1d0g s ASN 81 Cb -0.07 -2.50 -0.12 0.00 -1.45 0.00 0.00 41.25 37.11 1d0g s ASN 81 CO -0.00 -0.15 1.17 1.07 -3.72 0.00 0.00 177.10 175.47 1d0g n THR 82 N 0.12 2.25 -3.88 -5.21 5.66 -1.26 -4.74 114.28 107.23 1d0g n THR 82 Ca 0.03 -0.50 -0.35 0.00 -3.05 0.00 0.00 64.05 60.17 1d0g n THR 82 Cb 0.52 -1.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.79 1d0g n THR 82 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1d0g s VAL 83 N -1.16 3.48 0.10 1.08 1.01 -0.31 -4.81 120.40 119.80 1d0g s VAL 83 Ca 0.59 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1d0g s VAL 83 Cb -0.57 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1d0g s VAL 83 CO 0.59 0.35 0.17 0.00 0.00 0.00 0.00 175.10 176.21 1d0g s GLN 85 N -2.73 0.35 0.45 0.00 0.74 -0.41 -4.83 119.66 113.23 1d0g s GLN 85 Ca 0.32 -0.56 -0.25 0.00 0.05 0.00 0.00 55.36 54.93 1d0g s GLN 85 Cb -0.12 -0.06 -0.08 0.00 1.10 0.00 0.00 33.01 33.86 1d0g s GLN 85 CO 0.25 -0.00 1.30 0.00 -0.55 0.00 0.00 175.29 176.29 1d0g s GLU 87 N -2.47 2.44 0.10 0.00 2.56 0.14 -4.62 118.70 116.85 1d0g s GLU 87 Ca 0.61 1.62 -0.35 0.00 0.00 0.00 0.00 54.97 56.84 1d0g s GLU 87 Cb -0.37 -1.88 -0.15 0.00 2.00 0.00 0.00 34.13 33.72 1d0g s GLU 87 CO 0.47 -1.58 1.49 0.39 -0.56 0.00 0.00 175.26 175.47 1d0g n GLU 88 N -2.55 1.66 0.00 4.30 4.71 -1.26 -1.07 120.64 126.43 1d0g n GLU 88 Ca 0.12 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 1d0g n GLU 88 Cb 0.51 -2.31 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 1d0g n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1d0g n GLY 89 N 3.07 1.94 3.48 0.62 0.00 -1.26 -5.05 105.19 107.99 1d0g n GLY 89 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1d0g n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d0g s THR 90 N -2.50 1.96 0.32 2.61 -4.23 -0.24 -1.45 115.64 112.12 1d0g s THR 90 Ca 0.00 -2.19 0.04 0.00 -1.18 0.00 0.00 61.69 58.36 1d0g s THR 90 Cb 0.00 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1d0g s THR 90 CO 0.00 -0.28 0.32 0.72 -0.54 0.00 0.00 174.62 174.84 1d0g s PHE 91 N -2.80 1.50 0.05 3.99 -0.71 -0.48 -4.17 117.98 115.36 1d0g s PHE 91 Ca 0.30 -1.53 -0.11 0.00 -1.04 0.00 0.00 56.93 54.56 1d0g s PHE 91 Cb 0.02 -0.52 0.01 0.00 -1.21 0.00 0.00 43.02 41.32 1d0g s PHE 91 CO 0.14 -0.92 0.24 0.50 -1.34 0.00 0.00 175.22 173.83 1d0g s ARG 92 N -3.41 0.78 0.28 1.99 3.52 -0.21 -0.56 118.95 121.33 1d0g s ARG 92 Ca 0.38 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 1d0g s ARG 92 Cb 0.02 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1d0g s ARG 92 CO 0.24 -0.24 0.36 -2.00 -0.81 0.00 0.00 175.30 172.85 1d0g s GLU 93 N -2.84 1.61 0.25 5.12 -6.30 -1.26 -4.17 118.70 111.12 1d0g s GLU 93 Ca -0.03 -1.62 -0.04 0.00 -2.50 0.00 0.00 54.97 50.78 1d0g s GLU 93 Cb 0.00 0.39 0.49 0.00 0.00 0.00 0.00 34.13 35.01 1d0g s GLU 93 CO -0.05 -0.63 1.68 1.49 0.02 0.00 0.00 175.26 177.77 1d0g h GLU 94 N 2.28 0.27 -0.01 4.30 4.81 -2.02 -1.05 114.58 123.17 1d0g h GLU 94 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1d0g h GLU 94 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1d0g h GLU 94 CO 0.41 0.18 0.00 -0.25 -0.73 0.00 0.00 179.01 178.62 1d0g n ASP 95 N -5.15 0.34 -2.94 1.04 8.00 -1.26 -4.12 116.55 112.45 1d0g n ASP 95 Ca 0.15 -1.14 -0.17 0.00 0.71 0.00 0.00 54.79 54.34 1d0g n ASP 95 Cb 0.48 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1d0g n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1d0g n SER 96 N -0.72 1.87 0.00 -2.24 3.41 -0.40 -4.89 113.62 110.63 1d0g n SER 96 Ca 0.22 -3.08 0.14 0.00 -0.26 0.00 0.00 58.87 55.89 1d0g n SER 96 Cb 0.16 -0.57 0.69 0.00 -0.26 0.00 0.00 64.21 64.23 1d0g n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1d0g n PRO 97 N 0.04 0.31 -0.02 4.33 -0.04 -1.21 -3.84 135.00 134.57 1d0g n PRO 97 Ca 0.22 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1d0g n PRO 97 Cb 0.67 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1d0g n PRO 97 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1d0g h GLU 98 N 0.00 0.01 -3.13 0.54 4.57 -1.91 -3.48 114.58 111.18 1d0g h GLU 98 Ca 0.00 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.98 1d0g h GLU 98 Cb 0.32 0.01 -0.27 0.00 -0.16 0.00 0.00 28.75 28.64 1d0g h GLU 98 CO 0.00 0.55 -0.47 -1.64 -1.18 0.00 0.00 179.01 176.27 1d0g s MET 99 N -2.60 0.24 0.40 1.92 -1.94 -1.25 -5.13 119.30 110.93 1d0g s MET 99 Ca -0.05 0.39 -0.25 0.00 -1.71 0.00 0.00 55.69 54.07 1d0g s MET 99 Cb 0.08 0.03 -0.08 0.00 2.01 0.00 0.00 34.83 36.87 1d0g s MET 99 CO 0.82 -0.08 1.17 0.00 -0.01 0.00 0.00 175.02 176.92 1d0g s ARG 101 N -2.30 2.65 0.02 0.00 0.52 0.28 -4.87 118.95 115.25 1d0g s ARG 101 Ca 0.57 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1d0g s ARG 101 Cb -0.31 -2.58 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 1d0g s ARG 101 CO 0.39 0.53 1.21 0.15 0.02 0.00 0.00 175.30 177.59 1d0g s LYS 102 N -2.48 4.40 0.33 3.54 1.02 -1.26 -1.38 119.74 123.91 1d0g s LYS 102 Ca 0.27 1.74 -0.29 0.00 0.02 0.00 0.00 55.97 57.72 1d0g s LYS 102 Cb -0.11 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.66 1d0g s LYS 102 CO 0.20 -0.33 1.33 0.00 -0.92 0.00 0.00 175.35 175.62 1d0g s ARG 104 N -1.78 3.07 0.07 0.00 0.52 -1.26 -4.93 118.95 114.63 1d0g s ARG 104 Ca 0.49 1.89 0.22 0.00 -0.52 0.00 0.00 55.73 57.82 1d0g s ARG 104 Cb -0.40 -2.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.93 1d0g s ARG 104 CO 0.54 -1.14 0.85 0.25 0.02 0.00 0.00 175.30 175.81 1d0g n THR 105 N -1.39 0.24 -3.98 0.02 -2.24 -1.26 -4.70 114.28 100.97 1d0g n THR 105 Ca 0.13 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1d0g n THR 105 Cb 0.49 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1d0g n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1d0g s GLY 106 N -4.11 0.83 0.40 3.38 0.00 -1.26 -5.12 107.32 101.44 1d0g s GLY 106 Ca -0.01 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1d0g s GLY 106 CO 0.84 -0.66 0.38 0.00 0.00 0.00 0.00 173.10 173.66 1d0g s PRO 108 N -4.13 1.42 0.08 0.00 0.02 -1.26 -4.90 135.00 126.22 1d0g s PRO 108 Ca 0.48 0.91 -0.31 0.00 0.02 0.00 0.00 61.00 62.10 1d0g s PRO 108 Cb -0.04 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1d0g s PRO 108 CO 0.28 -2.16 1.43 1.03 -0.33 0.00 0.00 177.00 177.25 1d0g s ARG 109 N -4.91 4.29 0.00 5.54 0.52 -1.26 -1.53 118.95 121.60 1d0g s ARG 109 Ca 0.63 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.92 1d0g s ARG 109 Cb -0.18 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1d0g s ARG 109 CO 0.57 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1d0g n GLY 110 N 3.60 0.98 3.01 -3.53 0.00 -1.26 -5.07 105.19 102.91 1d0g n GLY 110 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1d0g n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d0g s MET 111 N -0.93 0.42 0.03 1.61 -1.94 -0.58 -0.85 119.30 117.05 1d0g s MET 111 Ca 0.00 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1d0g s MET 111 Cb 0.00 -0.21 -0.02 0.00 2.01 0.00 0.00 34.83 36.61 1d0g s MET 111 CO 0.00 0.04 -0.18 0.54 -0.01 0.00 0.00 175.02 175.41 1d0g s VAL 112 N -1.04 1.43 0.09 -6.03 0.11 -0.22 -4.56 120.40 110.18 1d0g s VAL 112 Ca -0.08 -1.01 -0.31 0.00 -2.93 0.00 0.00 61.98 57.65 1d0g s VAL 112 Cb -0.08 -1.24 -0.07 0.00 -1.53 0.00 0.00 36.38 33.47 1d0g s VAL 112 CO -0.00 0.20 1.30 -0.75 -3.33 0.00 0.00 175.10 172.52 1d0g s LYS 113 N -0.95 4.37 0.00 1.54 2.20 -1.26 -1.73 119.74 123.90 1d0g s LYS 113 Ca 0.06 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1d0g s LYS 113 Cb -0.08 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1d0g s LYS 113 CO 0.01 -0.35 0.14 1.33 -0.36 0.00 0.00 175.35 176.11 1d0g n VAL 114 N 3.91 0.00 -3.84 4.02 0.24 0.02 -4.95 118.33 117.72 1d0g n VAL 114 Ca 0.10 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1d0g n VAL 114 Cb 0.44 1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 33.87 1d0g n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d0g s GLY 115 N -0.35 -0.02 0.72 7.63 0.00 -1.11 -4.93 107.32 109.27 1d0g s GLY 115 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 1d0g s GLY 115 CO 0.00 -0.07 1.00 0.99 0.00 0.00 0.00 173.10 175.03 1d0g s ASP 116 N -1.05 4.41 0.33 1.64 1.01 -1.26 -1.40 116.67 120.34 1d0g s ASP 116 Ca -0.11 -0.10 -0.19 0.00 0.71 0.00 0.00 52.55 52.85 1d0g s ASP 116 Cb -0.06 -0.35 -0.09 0.00 1.01 0.00 0.00 42.92 43.42 1d0g s ASP 116 CO 0.02 -1.82 0.82 0.00 0.21 0.00 0.00 175.17 174.40 1d0g s THR 118 N -1.87 0.00 -1.74 0.00 -4.23 0.02 -4.99 115.64 102.83 1d0g s THR 118 Ca 0.53 -1.84 0.19 0.00 -1.18 0.00 0.00 61.69 59.38 1d0g s THR 118 Cb -0.13 -2.49 0.44 0.00 1.34 0.00 0.00 72.50 71.67 1d0g s THR 118 CO 0.18 0.00 1.55 -2.65 -0.54 0.00 0.00 174.62 173.16 1d0g n PRO 119 N -0.44 0.45 0.00 3.99 -0.02 -1.26 -2.65 135.00 135.07 1d0g n PRO 119 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1d0g n PRO 119 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1d0g n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1d0g n TRP 120 N -1.13 0.00 -3.53 6.00 8.01 -1.26 -1.05 117.44 124.48 1d0g n TRP 120 Ca 0.12 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.16 1d0g n TRP 120 Cb 0.10 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.35 1d0g n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1d0g s SER 121 N -0.02 -0.54 0.81 -0.99 1.04 -1.08 -4.63 113.70 108.29 1d0g s SER 121 Ca 0.00 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.85 1d0g s SER 121 Cb 0.00 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1d0g s SER 121 CO 0.00 -0.54 1.13 -0.62 0.98 0.00 0.00 173.24 174.19 1d0g s ASP 122 N -1.31 4.41 0.84 7.02 2.15 -1.26 -0.80 116.67 127.71 1d0g s ASP 122 Ca -0.06 1.04 -0.13 0.00 0.43 0.00 0.00 52.55 53.83 1d0g s ASP 122 Cb -0.00 -1.68 0.07 0.00 -0.30 0.00 0.00 42.92 41.01 1d0g s ASP 122 CO 0.05 -1.99 0.99 2.30 -0.17 0.00 0.00 175.17 176.35 1d0g n ILE 123 N -3.41 1.41 -4.05 4.11 -5.35 -1.26 -4.60 119.36 106.19 1d0g n ILE 123 Ca 0.07 -0.20 -0.34 0.00 -0.27 0.00 0.00 62.75 62.01 1d0g n ILE 123 Cb 0.58 -1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 37.36 1d0g n ILE 123 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1d0g s GLU 124 N -3.94 3.90 -0.11 6.28 2.02 -0.50 -4.96 118.70 121.40 1d0g s GLU 124 Ca 0.69 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.32 1d0g s GLU 124 Cb -0.28 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 30.79 1d0g s GLU 124 CO 0.55 0.23 -0.18 0.00 0.02 0.00 0.00 175.26 175.89 1d0g s VAL 126 N 0.79 2.07 0.33 0.00 -7.23 -0.71 -4.91 120.40 110.74 1d0g s VAL 126 Ca -0.10 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1d0g s VAL 126 Cb -0.16 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.05 1d0g s VAL 126 CO 0.01 0.00 0.69 -1.00 -0.31 0.00 0.00 175.10 174.49 1d0g s HIS 127 N -2.65 3.42 0.25 2.82 3.76 -1.26 -1.06 115.29 120.57 1d0g s HIS 127 Ca 0.37 1.04 -0.07 0.00 -0.15 0.00 0.00 55.06 56.26 1d0g s HIS 127 Cb 0.00 -2.41 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 1d0g s HIS 127 CO 0.22 0.07 0.53 -1.59 -0.85 0.00 0.00 174.74 173.11 1d0g s LYS 128 N -3.29 3.69 0.00 1.40 -2.85 -0.03 -4.71 119.74 113.95 1d0g s LYS 128 Ca 0.51 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 1d0g s LYS 128 Cb -0.10 -2.68 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 1d0g s LYS 128 CO 0.24 0.29 0.00 -1.91 0.10 0.00 0.00 175.35 174.06 1d0g n GLU 129 N -0.50 0.00 0.00 1.78 4.07 -1.26 -4.92 120.64 119.80 1d0g n GLU 129 Ca -0.01 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.13 1d0g n GLU 129 Cb 0.53 -0.25 0.03 0.00 -0.06 0.00 0.00 31.44 31.70 1d0g n GLU 129 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50