#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad h SER 2 N 0.00 -0.30 -5.11 1.61 0.87 -2.08 -3.48 113.55 105.06 2dad h SER 2 Ca 0.00 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.28 2dad h SER 2 Cb 0.00 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 61.90 2dad h SER 2 CO 0.00 0.18 -0.20 -0.94 -0.53 0.00 0.00 176.83 175.35 2dad s SER 3 N -5.24 -0.09 -0.34 6.23 1.04 -1.26 -5.09 113.70 108.96 2dad s SER 3 Ca -0.12 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 55.89 2dad s SER 3 Cb 0.01 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.70 2dad s SER 3 CO 0.42 -0.80 1.15 0.61 0.98 0.00 0.00 173.24 175.60 2dad n GLY 4 N -0.15 -0.29 0.12 7.32 0.00 -1.26 -5.02 105.19 105.91 2dad n GLY 4 Ca -0.16 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2dad n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dad h SER 5 N 1.45 0.33 -1.08 1.61 0.02 -1.97 -3.34 113.55 110.56 2dad h SER 5 Ca -0.49 -0.83 0.31 0.00 -0.84 0.00 0.00 61.79 59.95 2dad h SER 5 Cb 1.25 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 2dad h SER 5 CO -0.16 1.61 0.94 -1.28 -1.14 0.00 0.00 176.83 176.79 2dad h SER 6 N -0.38 0.00 0.00 3.07 0.87 -1.89 -3.39 113.55 111.83 2dad h SER 6 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2dad h SER 6 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2dad h SER 6 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2dad n GLY 7 N -1.71 3.55 3.54 5.77 0.00 -1.10 -4.29 105.19 110.95 2dad n GLY 7 Ca 0.23 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2dad n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dad s GLN 8 N -0.73 0.70 -0.08 1.61 0.74 0.73 -4.79 119.66 117.83 2dad s GLN 8 Ca 0.00 0.98 0.01 0.00 0.05 0.00 0.00 55.36 56.40 2dad s GLN 8 Cb 0.00 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 2dad s GLN 8 CO 0.00 -0.11 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.04 2dad s ILE 9 N 0.84 3.50 -0.27 -2.34 2.07 -1.05 -1.62 121.20 122.33 2dad s ILE 9 Ca -0.04 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.68 2dad s ILE 9 Cb -0.05 -2.44 0.07 0.00 0.13 0.00 0.00 42.46 40.17 2dad s ILE 9 CO -0.07 0.57 -0.06 -2.28 -1.91 0.00 0.00 174.94 171.20 2dad s HIS 10 N -0.47 3.07 0.18 3.50 5.65 0.12 -1.47 115.29 125.88 2dad s HIS 10 Ca 0.07 -2.28 -0.04 0.00 0.25 0.00 0.00 55.06 53.05 2dad s HIS 10 Cb -0.12 -2.02 -0.05 0.00 -1.18 0.00 0.00 32.58 29.21 2dad s HIS 10 CO 0.02 -0.86 0.41 -0.51 -0.65 0.00 0.00 174.74 173.15 2dad s LEU 11 N 1.16 4.22 -0.10 8.88 2.01 0.12 0.13 118.68 135.10 2dad s LEU 11 Ca -0.04 0.60 -0.01 0.00 0.01 0.00 0.00 54.13 54.68 2dad s LEU 11 Cb -0.19 -3.34 0.03 0.00 0.01 0.00 0.00 46.19 42.70 2dad s LEU 11 CO -0.07 -0.01 -0.00 -0.36 1.01 0.00 0.00 176.35 176.92 2dad s PHE 12 N -1.76 0.85 0.42 0.29 0.40 0.43 -0.52 117.98 118.09 2dad s PHE 12 Ca 0.41 -0.38 0.21 0.00 -0.60 0.00 0.00 56.93 56.57 2dad s PHE 12 Cb -0.12 -0.91 1.17 0.00 0.51 0.00 0.00 43.02 43.68 2dad s PHE 12 CO 0.26 -0.41 1.80 0.66 0.70 0.00 0.00 175.22 178.23 2dad h SER 13 N 8.29 0.37 -2.46 1.36 4.64 -0.16 -2.40 113.55 123.18 2dad h SER 13 Ca -0.20 0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.62 2dad h SER 13 Cb 1.12 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 2dad h SER 13 CO 0.29 0.09 -0.61 -1.61 -0.87 0.00 0.00 176.83 174.12 2dad s GLU 14 N -5.39 2.57 0.83 4.77 0.41 -1.05 -3.67 118.70 117.16 2dad s GLU 14 Ca -0.08 -1.16 -0.11 0.00 -0.41 0.00 0.00 54.97 53.21 2dad s GLU 14 Cb 0.24 -2.38 0.09 0.00 -1.78 0.00 0.00 34.13 30.30 2dad s GLU 14 CO 0.79 0.42 1.09 -1.25 -0.49 0.00 0.00 175.26 175.82 2dad s PRO 15 N -3.43 1.79 -1.42 0.39 0.04 -1.26 -3.10 135.00 128.01 2dad s PRO 15 Ca 0.30 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 2dad s PRO 15 Cb -0.08 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dad s PRO 15 CO 0.21 -1.92 0.47 1.04 0.04 0.00 0.00 177.00 176.84 2dad n GLN 16 N -3.69 -3.97 -3.89 4.56 6.02 0.46 -2.36 117.38 114.50 2dad n GLN 16 Ca 0.08 0.83 -0.27 0.00 -0.01 0.00 0.00 57.00 57.62 2dad n GLN 16 Cb 0.54 -5.46 0.02 0.00 1.02 0.00 0.00 30.24 26.36 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2dad n PHE 17 N -4.33 -2.03 -4.21 1.08 3.72 -1.25 -4.97 117.46 105.46 2dad n PHE 17 Ca -0.12 0.85 -0.29 0.00 -0.05 0.00 0.00 57.45 57.85 2dad n PHE 17 Cb 0.62 -3.97 -0.03 0.00 -0.94 0.00 0.00 39.48 35.15 2dad n PHE 17 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2dad s GLN 18 N -6.45 2.23 3.27 -1.08 -0.21 -1.00 -5.04 119.66 111.39 2dad s GLN 18 Ca 0.37 -2.15 0.00 0.00 0.02 0.00 0.00 55.36 53.60 2dad s GLN 18 Cb -0.19 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 31.93 2dad s GLN 18 CO 0.84 -0.51 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 2dad n GLY 19 N -1.57 0.91 3.76 3.09 0.00 -1.26 -2.53 105.19 107.60 2dad n GLY 19 Ca -0.08 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2dad n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 20 N 0.00 2.48 0.01 1.61 3.76 -1.26 -4.79 115.29 117.10 2dad s HIS 20 Ca 0.00 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.27 2dad s HIS 20 Cb 0.00 -3.81 -0.01 0.00 1.11 0.00 0.00 32.58 29.87 2dad s HIS 20 CO 0.00 -2.71 -0.06 -1.54 -0.85 0.00 0.00 174.74 169.58 2dad s SER 21 N -0.75 0.63 -0.03 1.40 1.04 -1.26 0.42 113.70 115.15 2dad s SER 21 Ca 0.64 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 2dad s SER 21 Cb -0.41 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.71 2dad s SER 21 CO 0.51 -0.05 0.06 -1.10 0.98 0.00 0.00 173.24 173.64 2dad s GLN 22 N -0.65 0.03 0.11 4.02 -0.21 0.32 -4.99 119.66 118.29 2dad s GLN 22 Ca -0.03 0.15 0.09 0.00 0.02 0.00 0.00 55.36 55.60 2dad s GLN 22 Cb -0.05 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.83 2dad s GLN 22 CO -0.00 -0.08 -0.22 0.45 -2.12 0.00 0.00 175.29 173.32 2dad s SER 23 N 0.55 3.64 -0.01 5.90 0.15 -1.26 0.11 113.70 122.78 2dad s SER 23 Ca -0.04 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.02 2dad s SER 23 Cb -0.06 -0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2dad s SER 23 CO -0.02 0.19 -0.08 -0.36 1.20 0.00 0.00 173.24 174.17 2dad s PHE 24 N -1.07 0.80 -0.09 3.44 0.08 -0.54 -5.00 117.98 115.59 2dad s PHE 24 Ca 0.16 -0.16 0.10 0.00 0.12 0.00 0.00 56.93 57.15 2dad s PHE 24 Cb -0.10 -0.53 -0.15 0.00 -0.57 0.00 0.00 43.02 41.67 2dad s PHE 24 CO 0.08 -0.04 0.08 0.39 -0.10 0.00 0.00 175.22 175.63 2dad n GLU 25 N 3.00 1.84 -4.08 0.44 1.02 -1.26 -2.51 120.64 119.09 2dad n GLU 25 Ca -0.15 -0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.74 2dad n GLU 25 Cb 0.56 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dad s GLU 26 N -2.37 2.52 -0.44 3.49 0.41 -1.26 -4.91 118.70 116.14 2dad s GLU 26 Ca -0.05 -1.39 -0.27 0.00 -0.41 0.00 0.00 54.97 52.85 2dad s GLU 26 Cb 0.04 -2.30 -0.07 0.00 -1.78 0.00 0.00 34.13 30.02 2dad s GLU 26 CO 0.46 0.20 2.38 2.41 -0.49 0.00 0.00 175.26 180.23 2dad n THR 27 N -1.15 0.02 -3.23 3.63 -1.04 -1.26 -4.82 114.28 106.43 2dad n THR 27 Ca -0.04 -0.69 -0.34 0.00 -2.04 0.00 0.00 64.05 60.94 2dad n THR 27 Cb 0.60 -2.66 -0.06 0.00 -1.82 0.00 0.00 70.33 66.39 2dad n THR 27 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2dad s THR 28 N 11.13 4.73 -0.01 12.58 2.01 -1.12 -4.94 115.64 140.03 2dad s THR 28 Ca 1.00 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.98 2dad s THR 28 Cb -0.26 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2dad s THR 28 CO 0.30 0.09 0.03 -0.24 -0.69 0.00 0.00 174.62 174.11 2dad n SER 29 N 0.39 4.48 -4.03 3.53 2.88 -1.26 0.75 113.62 120.35 2dad n SER 29 Ca -0.02 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 2dad n SER 29 Cb 0.52 0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 64.73 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dad s GLN 30 N -2.12 0.93 -0.01 -1.46 0.74 -1.08 -3.55 119.66 113.12 2dad s GLN 30 Ca -0.01 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 2dad s GLN 30 Cb 0.01 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 2dad s GLN 30 CO 0.09 0.18 0.17 0.42 -0.55 0.00 0.00 175.29 175.60 2dad s ILE 31 N -0.04 5.36 -0.60 -2.34 -1.09 -0.86 -4.91 121.20 116.72 2dad s ILE 31 Ca 0.01 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 2dad s ILE 31 Cb -0.06 -3.51 -0.12 0.00 -1.58 0.00 0.00 42.46 37.19 2dad s ILE 31 CO 0.00 0.32 2.44 0.47 -1.23 0.00 0.00 174.94 176.94 2dad n ASP 32 N 0.94 1.71 -2.69 3.58 9.92 -1.26 -0.61 116.55 128.13 2dad n ASP 32 Ca -0.11 -0.07 -0.19 0.00 -0.53 0.00 0.00 54.79 53.89 2dad n ASP 32 Cb 0.52 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 2dad n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dad n ASP 33 N 12.81 -5.20 -3.91 -2.24 2.03 -1.26 -1.55 116.55 117.23 2dad n ASP 33 Ca 0.46 -0.08 -0.31 0.00 0.52 0.00 0.00 54.79 55.38 2dad n ASP 33 Cb 0.32 -4.30 -0.03 0.00 -0.72 0.00 0.00 41.12 36.39 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dad n SER 34 N -2.13 -3.08 -4.64 1.67 3.41 0.22 -4.79 113.62 104.28 2dad n SER 34 Ca -0.16 -0.76 -0.45 0.00 -0.26 0.00 0.00 58.87 57.24 2dad n SER 34 Cb 0.63 -2.56 -0.04 0.00 -0.26 0.00 0.00 64.21 61.98 2dad n SER 34 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2dad n PHE 35 N -4.08 2.27 -0.67 7.33 1.16 -0.60 -4.90 117.46 117.98 2dad n PHE 35 Ca 0.05 -0.17 -0.31 0.00 -1.87 0.00 0.00 57.45 55.15 2dad n PHE 35 Cb 0.50 -2.73 0.17 0.00 -1.61 0.00 0.00 39.48 35.81 2dad n PHE 35 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2dad n SER 36 N 8.48 -0.93 -3.65 5.98 7.64 -1.26 -4.76 113.62 125.12 2dad n SER 36 Ca 0.25 0.24 -0.19 0.00 1.01 0.00 0.00 58.87 60.18 2dad n SER 36 Cb 0.37 -1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 62.09 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dad s THR 37 N -2.50 -0.20 -0.08 0.44 2.01 -1.26 -3.97 115.64 110.08 2dad s THR 37 Ca 0.64 0.28 0.14 0.00 0.31 0.00 0.00 61.69 63.06 2dad s THR 37 Cb -0.22 -0.31 -0.16 0.00 0.01 0.00 0.00 72.50 71.82 2dad s THR 37 CO 0.63 0.08 0.87 0.11 -0.69 0.00 0.00 174.62 175.61 2dad h LYS 38 N 8.39 0.00 -4.30 4.92 1.57 -1.50 -3.46 116.57 122.18 2dad h LYS 38 Ca -0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 2dad h LYS 38 Cb 1.12 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.25 2dad h LYS 38 CO 0.17 0.44 -0.70 -1.54 -0.57 0.00 0.00 179.45 177.25 2dad s SER 39 N -6.03 0.61 0.19 0.86 1.04 -1.19 -1.78 113.70 107.39 2dad s SER 39 Ca -0.02 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 2dad s SER 39 Cb 0.08 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 2dad s SER 39 CO 0.81 -0.37 0.24 0.00 0.98 0.00 0.00 173.24 174.90 2dad s ARG 41 N -4.05 0.10 -0.10 0.00 3.52 0.35 -1.52 118.95 117.24 2dad s ARG 41 Ca 0.26 -0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.74 2dad s ARG 41 Cb 0.04 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 2dad s ARG 41 CO 0.06 -0.62 0.17 0.08 -0.81 0.00 0.00 175.30 174.18 2dad s VAL 42 N 2.12 5.46 -0.23 7.11 1.01 -0.82 0.14 120.40 135.19 2dad s VAL 42 Ca 0.02 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 2dad s VAL 42 Cb -0.16 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2dad s VAL 42 CO -0.08 0.61 0.42 -0.55 0.00 0.00 0.00 175.10 175.49 2dad s SER 43 N -1.07 -0.12 0.00 3.32 0.15 -0.64 -1.86 113.70 113.49 2dad s SER 43 Ca 0.16 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2dad s SER 43 Cb -0.12 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 2dad s SER 43 CO 0.05 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dad n GLY 44 N 5.38 0.87 0.00 9.45 0.00 -1.26 -0.19 105.19 119.44 2dad n GLY 44 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2dad n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dad n GLY 45 N -0.74 2.58 3.88 -0.02 0.00 -1.26 -2.69 105.19 106.93 2dad n GLY 45 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2dad n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad s SER 46 N 0.00 5.29 -0.03 1.61 0.01 -1.10 -4.58 113.70 114.90 2dad s SER 46 Ca 0.00 1.09 -0.02 0.00 1.31 0.00 0.00 55.95 58.34 2dad s SER 46 Cb 0.00 -1.85 0.02 0.00 0.21 0.00 0.00 66.02 64.40 2dad s SER 46 CO 0.00 -1.44 0.07 0.26 0.41 0.00 0.00 173.24 172.54 2dad s TRP 47 N -3.38 -0.06 -0.12 2.43 0.52 -0.98 -0.65 118.94 116.69 2dad s TRP 47 Ca 0.59 0.24 -0.05 0.00 0.02 0.00 0.00 56.10 56.90 2dad s TRP 47 Cb -0.11 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.08 2dad s TRP 47 CO 0.52 -0.09 0.06 0.08 0.02 0.00 0.00 176.95 177.54 2dad s VAL 48 N 0.67 4.78 -0.16 4.03 1.01 -0.81 -0.18 120.40 129.74 2dad s VAL 48 Ca -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2dad s VAL 48 Cb -0.07 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2dad s VAL 48 CO -0.03 0.57 -0.17 0.68 0.00 0.00 0.00 175.10 176.16 2dad s VAL 49 N -0.58 1.78 -0.15 2.92 -7.23 0.51 -1.31 120.40 116.34 2dad s VAL 49 Ca 0.11 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.43 2dad s VAL 49 Cb -0.12 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2dad s VAL 49 CO 0.02 0.49 0.13 -0.31 -0.31 0.00 0.00 175.10 175.13 2dad s TYR 50 N 1.35 3.51 -0.37 2.82 1.51 -0.38 -2.39 117.35 123.41 2dad s TYR 50 Ca 0.04 0.44 0.26 0.00 -1.01 0.00 0.00 57.07 56.79 2dad s TYR 50 Cb -0.13 -2.03 1.06 0.00 -0.11 0.00 0.00 41.96 40.75 2dad s TYR 50 CO -0.11 0.55 1.77 0.38 -1.11 0.00 0.00 175.55 177.03 2dad h ASP 51 N 5.67 0.00 -1.59 2.29 2.03 -1.73 0.16 116.42 123.25 2dad h ASP 51 Ca -0.49 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.31 2dad h ASP 51 Cb 1.20 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.66 2dad h ASP 51 CO 0.65 0.00 -0.41 -0.83 -1.03 0.00 0.00 179.24 177.62 2dad s GLY 52 N -3.67 2.09 0.40 7.15 0.00 -1.21 -4.41 107.32 107.68 2dad s GLY 52 Ca 0.04 -1.87 -0.12 0.00 0.00 0.00 0.00 44.72 42.76 2dad s GLY 52 CO 0.42 -1.70 0.79 -0.54 0.00 0.00 0.00 173.10 172.07 2dad s GLU 53 N -4.07 3.85 -1.22 2.90 0.41 -1.26 -3.83 118.70 115.47 2dad s GLU 53 Ca 0.46 0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 55.56 2dad s GLU 53 Cb -0.03 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 2dad s GLU 53 CO 0.27 -0.03 0.37 0.09 -0.49 0.00 0.00 175.26 175.47 2dad n ASN 54 N -1.16 -4.98 -3.70 -0.19 3.02 -1.23 -2.67 115.26 104.35 2dad n ASN 54 Ca 0.03 -0.18 -0.23 0.00 -0.03 0.00 0.00 54.58 54.17 2dad n ASN 54 Cb 0.54 -3.89 0.05 0.00 -0.61 0.00 0.00 39.78 35.87 2dad n ASN 54 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2dad n PHE 55 N -4.17 -2.20 -3.49 3.10 3.01 -1.26 -4.99 117.46 107.46 2dad n PHE 55 Ca -0.11 0.90 -0.23 0.00 1.01 0.00 0.00 57.45 59.03 2dad n PHE 55 Cb 0.60 -4.48 0.01 0.00 -0.01 0.00 0.00 39.48 35.61 2dad n PHE 55 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2dad s THR 56 N -3.47 2.06 0.00 4.37 -4.23 -1.09 -5.00 115.64 108.27 2dad s THR 56 Ca 0.26 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2dad s THR 56 Cb -0.13 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2dad s THR 56 CO 0.79 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 2dad n GLY 57 N -1.90 1.33 3.91 3.99 0.00 -1.26 -3.30 105.19 107.95 2dad n GLY 57 Ca 0.06 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 2dad n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dad s ASN 58 N -4.00 5.78 -0.02 1.61 0.01 -1.26 -4.98 114.94 112.08 2dad s ASN 58 Ca 0.00 0.87 0.03 0.00 -0.71 0.00 0.00 52.86 53.05 2dad s ASN 58 Cb 0.00 -1.92 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 2dad s ASN 58 CO 0.00 -0.97 -0.10 0.00 -1.51 0.00 0.00 177.10 174.52 2dad s GLN 59 N -4.99 0.99 -0.13 -0.60 -2.07 -1.26 -3.63 119.66 107.97 2dad s GLN 59 Ca 0.53 -0.35 -0.01 0.00 -1.82 0.00 0.00 55.36 53.71 2dad s GLN 59 Cb -0.11 -0.93 0.03 0.00 -1.09 0.00 0.00 33.01 30.92 2dad s GLN 59 CO 0.47 0.16 -0.04 0.71 -1.32 0.00 0.00 175.29 175.26 2dad s TYR 60 N 0.03 1.36 0.69 9.60 1.51 -1.00 -4.94 117.35 124.60 2dad s TYR 60 Ca -0.01 -0.75 -0.09 0.00 -1.01 0.00 0.00 57.07 55.21 2dad s TYR 60 Cb -0.07 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2dad s TYR 60 CO 0.00 -0.52 1.04 0.14 -1.11 0.00 0.00 175.55 175.10 2dad s VAL 61 N 1.75 3.09 -0.05 0.71 -7.23 -1.26 -0.37 120.40 117.04 2dad s VAL 61 Ca 0.03 0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 2dad s VAL 61 Cb -0.14 -3.31 0.04 0.00 0.56 0.00 0.00 36.38 33.53 2dad s VAL 61 CO -0.07 -0.37 0.10 -0.76 -0.31 0.00 0.00 175.10 173.69 2dad s LEU 62 N -5.27 0.42 0.79 1.32 1.43 0.75 -4.90 118.68 113.22 2dad s LEU 62 Ca 0.58 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2dad s LEU 62 Cb -0.11 0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.30 2dad s LEU 62 CO 0.48 -0.20 1.09 -1.61 0.23 0.00 0.00 176.35 176.34 2dad s GLU 63 N 1.73 2.10 -0.06 1.70 2.02 -1.26 -2.31 118.70 122.61 2dad s GLU 63 Ca -0.02 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 2dad s GLU 63 Cb -0.12 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 2dad s GLU 63 CO -0.05 -1.66 1.56 -2.00 0.02 0.00 0.00 175.26 173.13 2dad s GLU 64 N -5.03 4.20 0.00 1.61 2.12 -1.26 -4.61 118.70 115.73 2dad s GLU 64 Ca 0.61 2.08 0.00 0.00 0.36 0.00 0.00 54.97 58.02 2dad s GLU 64 Cb -0.16 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2dad s GLU 64 CO 0.55 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 2dad n GLY 65 N 3.98 -2.09 3.53 -1.50 0.00 -0.78 -5.00 105.19 103.33 2dad n GLY 65 Ca 0.16 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 2dad n GLY 65 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dad s HIS 66 N -2.49 3.16 -0.42 1.61 -3.43 -1.26 -1.94 115.29 110.51 2dad s HIS 66 Ca 0.00 -0.15 -0.06 0.00 -0.80 0.00 0.00 55.06 54.05 2dad s HIS 66 Cb 0.00 -2.27 0.10 0.00 -1.43 0.00 0.00 32.58 28.98 2dad s HIS 66 CO 0.00 -0.21 0.24 0.71 -2.00 0.00 0.00 174.74 173.49 2dad s TYR 67 N 1.48 3.45 0.30 0.38 2.02 -0.58 -4.94 117.35 119.47 2dad s TYR 67 Ca 0.06 -1.98 0.15 0.00 -0.37 0.00 0.00 57.07 54.92 2dad s TYR 67 Cb -0.15 -3.15 0.66 0.00 -0.40 0.00 0.00 41.96 38.92 2dad s TYR 67 CO 0.06 -0.93 1.76 -1.00 -1.57 0.00 0.00 175.55 173.87 2dad h PRO 68 N 8.26 0.00 -4.83 -1.71 0.13 -1.93 -2.58 132.00 129.34 2dad h PRO 68 Ca -0.19 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.54 2dad h PRO 68 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 2dad h PRO 68 CO 0.75 0.43 -0.54 0.00 -0.23 0.00 0.00 178.00 178.40 2dad h LEU 70 N 2.25 0.20 -0.96 0.00 3.38 -1.68 -3.32 115.31 115.18 2dad h LEU 70 Ca -0.31 -0.72 0.12 0.00 0.09 0.00 0.00 57.88 57.06 2dad h LEU 70 Cb 1.24 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 2dad h LEU 70 CO 0.47 0.89 -0.48 -0.24 0.09 0.00 0.00 178.44 179.17 2dad n SER 71 N -4.56 -0.83 -0.33 -0.43 2.88 -1.26 0.15 113.62 109.24 2dad n SER 71 Ca -0.09 1.70 0.19 0.00 -1.33 0.00 0.00 58.87 59.34 2dad n SER 71 Cb 0.45 -0.30 0.44 0.00 -0.75 0.00 0.00 64.21 64.05 2dad n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dad h ALA 72 N 0.90 2.00 0.00 -1.46 0.00 -1.92 0.41 119.26 119.18 2dad h ALA 72 Ca 0.24 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2dad h ALA 72 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2dad h ALA 72 CO -0.93 -0.39 -0.71 0.52 0.00 0.00 0.00 179.25 177.73 2dad h MET 73 N 0.53 0.00 0.00 0.00 2.07 0.12 -3.48 114.93 114.17 2dad h MET 73 Ca 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.22 2dad h MET 73 Cb 1.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.99 2dad h MET 73 CO -0.34 0.71 0.00 0.41 1.07 0.00 0.00 176.91 178.76 2dad n GLY 74 N 0.59 2.12 3.55 8.32 0.00 0.14 -4.95 105.19 114.96 2dad n GLY 74 Ca -0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2dad n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s PRO 76 N -2.40 1.31 -1.00 0.00 0.04 -1.26 -4.15 135.00 127.55 2dad s PRO 76 Ca 0.72 0.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2dad s PRO 76 Cb -0.44 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2dad s PRO 76 CO 0.51 -2.21 1.94 -1.25 0.04 0.00 0.00 177.00 176.03 2dad s PRO 77 N -4.93 2.53 0.00 0.56 0.04 -1.26 -3.06 135.00 128.88 2dad s PRO 77 Ca 0.63 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2dad s PRO 77 Cb -0.18 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2dad s PRO 77 CO 0.57 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 174.42 2dad n GLY 78 N 6.48 0.72 3.65 0.56 0.00 -1.26 -5.13 105.19 110.21 2dad n GLY 78 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 2dad n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s ALA 79 N -1.25 3.59 -0.25 4.61 0.00 -1.17 -5.07 121.76 122.22 2dad s ALA 79 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2dad s ALA 79 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2dad s ALA 79 CO 0.00 -0.27 0.04 0.99 0.00 0.00 0.00 175.76 176.51 2dad s THR 80 N 1.22 3.94 0.17 0.00 2.01 -1.26 -4.37 115.64 117.35 2dad s THR 80 Ca 0.08 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 2dad s THR 80 Cb -0.14 -2.88 -0.07 0.00 0.01 0.00 0.00 72.50 69.41 2dad s THR 80 CO 0.06 0.29 0.91 -0.36 -0.69 0.00 0.00 174.62 174.83 2dad s PHE 81 N 1.54 3.90 -0.02 4.92 0.08 -1.26 -4.21 117.98 122.93 2dad s PHE 81 Ca 0.05 1.81 0.02 0.00 0.12 0.00 0.00 56.93 58.93 2dad s PHE 81 Cb -0.15 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 2dad s PHE 81 CO 0.01 0.37 0.02 1.63 -0.10 0.00 0.00 175.22 177.15 2dad n LYS 82 N 2.04 2.74 -3.89 0.44 5.02 0.55 -4.74 118.16 120.31 2dad n LYS 82 Ca -0.01 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 2dad n LYS 82 Cb 0.48 -1.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 2dad n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 83 N -3.01 0.04 0.29 4.39 1.04 -1.11 -2.03 113.70 113.31 2dad s SER 83 Ca -0.01 -0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.40 2dad s SER 83 Cb 0.01 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2dad s SER 83 CO 0.09 -0.18 -0.15 -0.76 0.98 0.00 0.00 173.24 173.21 2dad s LEU 84 N -0.72 2.69 -0.23 2.42 1.43 0.23 -1.24 118.68 123.25 2dad s LEU 84 Ca -0.08 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2dad s LEU 84 Cb -0.05 -1.16 0.11 0.00 0.03 0.00 0.00 46.19 45.13 2dad s LEU 84 CO 0.00 -0.02 0.30 -0.60 0.23 0.00 0.00 176.35 176.26 2dad s ARG 85 N -3.55 0.27 -0.27 1.70 3.52 -0.43 -2.77 118.95 117.42 2dad s ARG 85 Ca 0.31 0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.94 2dad s ARG 85 Cb -0.04 -0.84 -0.02 0.00 -1.56 0.00 0.00 34.95 32.49 2dad s ARG 85 CO 0.16 -0.68 1.71 0.12 -0.81 0.00 0.00 175.30 175.80 2dad s PHE 86 N 2.43 1.94 -0.56 5.12 5.36 -1.26 -1.93 117.98 129.08 2dad s PHE 86 Ca 0.10 0.56 -0.20 0.00 -0.96 0.00 0.00 56.93 56.42 2dad s PHE 86 Cb -0.15 -4.08 0.07 0.00 -0.34 0.00 0.00 43.02 38.52 2dad s PHE 86 CO -0.15 -2.99 0.75 0.42 -1.46 0.00 0.00 175.22 171.79 2dad s ILE 87 N 6.05 4.69 -0.43 3.12 1.01 0.17 -5.00 121.20 130.82 2dad s ILE 87 Ca 0.76 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 60.68 2dad s ILE 87 Cb -0.24 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 2dad s ILE 87 CO 0.32 -1.04 2.12 -0.94 0.00 0.00 0.00 174.94 175.40 2dad s SER 88 N 3.09 5.13 0.00 3.58 1.04 -1.26 -2.69 113.70 122.59 2dad s SER 88 Ca 0.18 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2dad s SER 88 Cb -0.19 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2dad s SER 88 CO 0.11 -2.34 0.00 0.61 0.98 0.00 0.00 173.24 172.60 2dad n GLY 89 N 5.77 1.15 0.00 7.32 0.00 -1.26 -4.43 105.19 113.74 2dad n GLY 89 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 2dad n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dad n PRO 90 N 0.00 0.49 -0.06 1.61 -0.04 -1.26 -3.35 135.00 132.39 2dad n PRO 90 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2dad n PRO 90 Cb 0.00 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 2dad n PRO 90 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dad h SER 91 N 0.00 0.00 -3.75 3.54 0.02 -1.90 -3.45 113.55 108.01 2dad h SER 91 Ca 0.00 -0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.28 2dad h SER 91 Cb 0.00 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.15 2dad h SER 91 CO 0.00 0.64 -0.75 -0.44 -1.14 0.00 0.00 176.83 175.13 2dad s SER 92 N -5.65 4.61 0.00 3.07 0.01 -1.21 -5.17 113.70 109.36 2dad s SER 92 Ca -0.08 -1.84 0.00 0.00 1.31 0.00 0.00 55.95 55.34 2dad s SER 92 Cb 0.01 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2dad s SER 92 CO 0.12 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.07