#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 -3.61 1.61 0.02 -2.09 -3.42 113.55 106.36 2dad h SER 2 Ca 0.00 -0.43 -0.62 0.00 -0.84 0.00 0.00 61.79 59.90 2dad h SER 2 Cb 0.00 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 62.31 2dad h SER 2 CO 0.00 0.66 -0.48 -0.44 -1.14 0.00 0.00 176.83 175.43 2dad s SER 3 N -5.96 6.13 -0.84 3.07 0.01 -1.26 -5.04 113.70 109.80 2dad s SER 3 Ca -0.14 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 2dad s SER 3 Cb 0.05 -2.12 0.22 0.00 0.21 0.00 0.00 66.02 64.38 2dad s SER 3 CO 0.73 0.04 0.77 -0.83 0.41 0.00 0.00 173.24 174.37 2dad s GLY 4 N 1.13 2.74 -0.08 3.44 0.00 -1.26 -4.89 107.32 108.40 2dad s GLY 4 Ca 0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 44.72 41.35 2dad s GLY 4 CO 0.05 1.25 0.16 1.76 0.00 0.00 0.00 173.10 176.32 2dad h SER 5 N 7.45 -0.12 -3.21 1.64 0.02 -1.96 -3.41 113.55 113.97 2dad h SER 5 Ca 0.10 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.47 2dad h SER 5 Cb 1.00 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 2dad h SER 5 CO 0.78 0.34 0.69 -0.44 -1.14 0.00 0.00 176.83 177.07 2dad s SER 6 N -5.27 6.38 1.03 3.07 0.01 -1.26 -4.56 113.70 113.09 2dad s SER 6 Ca -0.02 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 2dad s SER 6 Cb 0.00 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.78 2dad s SER 6 CO 0.06 -1.30 -0.10 0.61 0.41 0.00 0.00 173.24 172.92 2dad n GLY 7 N 5.10 -2.62 2.83 3.44 0.00 -1.03 -4.96 105.19 107.95 2dad n GLY 7 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.20 0.02 -0.08 1.61 0.74 -0.30 -4.60 119.66 113.85 2dad s GLN 8 Ca 0.52 0.40 0.01 0.00 0.05 0.00 0.00 55.36 56.35 2dad s GLN 8 Cb -0.14 -0.28 -0.03 0.00 1.10 0.00 0.00 33.01 33.67 2dad s GLN 8 CO 0.69 -0.24 -0.10 -1.50 -0.55 0.00 0.00 175.29 173.59 2dad s ILE 9 N 1.68 3.44 -0.24 -2.34 2.07 -1.19 -1.33 121.20 123.29 2dad s ILE 9 Ca -0.03 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 2dad s ILE 9 Cb -0.12 -2.41 0.06 0.00 0.13 0.00 0.00 42.46 40.12 2dad s ILE 9 CO -0.05 0.57 -0.06 -2.28 -1.91 0.00 0.00 174.94 171.22 2dad s HIS 10 N -0.50 2.59 0.26 3.50 2.46 0.72 -0.14 115.29 124.20 2dad s HIS 10 Ca 0.07 -1.90 -0.04 0.00 0.47 0.00 0.00 55.06 53.66 2dad s HIS 10 Cb -0.12 -1.68 -0.05 0.00 -0.13 0.00 0.00 32.58 30.60 2dad s HIS 10 CO 0.02 -0.80 0.51 -0.51 -2.47 0.00 0.00 174.74 171.49 2dad s LEU 11 N 1.33 4.10 -0.10 8.88 2.01 0.11 0.13 118.68 135.14 2dad s LEU 11 Ca -0.06 0.64 -0.01 0.00 0.01 0.00 0.00 54.13 54.71 2dad s LEU 11 Cb -0.19 -3.44 0.03 0.00 0.01 0.00 0.00 46.19 42.60 2dad s LEU 11 CO -0.06 -0.15 -0.03 -0.36 1.01 0.00 0.00 176.35 176.76 2dad s PHE 12 N -2.02 1.03 0.18 0.29 0.40 0.61 0.05 117.98 118.52 2dad s PHE 12 Ca 0.43 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 2dad s PHE 12 Cb -0.11 -0.99 0.16 0.00 0.51 0.00 0.00 43.02 42.59 2dad s PHE 12 CO 0.29 -0.42 1.65 1.03 0.70 0.00 0.00 175.22 178.48 2dad h SER 13 N 8.26 -0.44 -2.65 1.36 0.87 -0.08 -2.80 113.55 118.07 2dad h SER 13 Ca -0.23 0.15 -0.50 0.00 -1.23 0.00 0.00 61.79 59.97 2dad h SER 13 Cb 1.13 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2dad h SER 13 CO 0.32 -0.16 -0.32 -1.61 -0.53 0.00 0.00 176.83 174.54 2dad s GLU 14 N -6.22 3.49 0.89 2.24 8.01 -1.07 -3.15 118.70 122.89 2dad s GLU 14 Ca -0.14 -0.45 -0.11 0.00 0.01 0.00 0.00 54.97 54.27 2dad s GLU 14 Cb 0.16 -2.80 0.13 0.00 -4.31 0.00 0.00 34.13 27.31 2dad s GLU 14 CO 0.72 0.33 1.09 -1.25 0.01 0.00 0.00 175.26 176.17 2dad s PRO 15 N -3.80 1.31 -1.48 0.39 0.04 -1.26 -3.22 135.00 126.98 2dad s PRO 15 Ca 0.38 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 2dad s PRO 15 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2dad s PRO 15 CO 0.31 -2.21 0.23 1.04 0.04 0.00 0.00 177.00 176.41 2dad n GLN 16 N -3.86 -2.69 -3.92 4.56 6.02 -0.40 -2.27 117.38 114.82 2dad n GLN 16 Ca 0.07 0.85 -0.29 0.00 -0.01 0.00 0.00 57.00 57.62 2dad n GLN 16 Cb 0.55 -5.42 0.02 0.00 1.02 0.00 0.00 30.24 26.41 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 -4.17 -2.16 -4.31 1.08 3.72 -1.25 -4.97 117.46 105.40 2dad n PHE 17 Ca -0.17 0.88 -0.30 0.00 -0.05 0.00 0.00 57.45 57.81 2dad n PHE 17 Cb 0.64 -3.91 -0.04 0.00 -0.94 0.00 0.00 39.48 35.23 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 -6.57 2.23 5.06 -1.08 -1.52 -0.96 -5.04 119.66 111.79 2dad s GLN 18 Ca 0.55 -2.21 0.00 0.00 -1.95 0.00 0.00 55.36 51.75 2dad s GLN 18 Cb -0.28 -1.82 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 2dad s GLN 18 CO 0.84 -0.50 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 2dad n GLY 19 N -1.53 1.96 3.81 3.09 0.00 -1.26 -2.59 105.19 108.67 2dad n GLY 19 Ca -0.10 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 3.09 -0.09 1.61 3.76 -1.26 -4.86 115.29 117.54 2dad s HIS 20 Ca 0.00 1.48 -0.08 0.00 -0.15 0.00 0.00 55.06 56.31 2dad s HIS 20 Cb 0.00 -2.95 0.03 0.00 1.11 0.00 0.00 32.58 30.77 2dad s HIS 20 CO 0.00 -1.02 0.24 -1.54 -0.85 0.00 0.00 174.74 171.57 2dad s SER 21 N -3.04 -0.25 -0.04 1.40 1.04 -1.26 0.52 113.70 112.06 2dad s SER 21 Ca 0.62 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 2dad s SER 21 Cb -0.15 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2dad s SER 21 CO 0.40 -0.09 0.05 -1.10 0.98 0.00 0.00 173.24 173.47 2dad s GLN 22 N 0.24 0.03 -0.00 4.02 -0.21 0.11 -4.97 119.66 118.89 2dad s GLN 22 Ca -0.01 0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.72 2dad s GLN 22 Cb -0.03 -0.56 -0.03 0.00 1.00 0.00 0.00 33.01 33.39 2dad s GLN 22 CO -0.01 -0.31 -0.06 -1.54 -2.12 0.00 0.00 175.29 171.25 2dad s SER 23 N 2.05 4.66 -0.30 5.90 1.04 -1.26 0.08 113.70 125.87 2dad s SER 23 Ca 0.04 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2dad s SER 23 Cb -0.12 -1.10 0.09 0.00 0.10 0.00 0.00 66.02 64.98 2dad s SER 23 CO -0.03 0.29 0.01 -0.36 0.98 0.00 0.00 173.24 174.13 2dad s PHE 24 N -0.99 2.93 0.25 5.02 0.40 0.81 -4.97 117.98 121.43 2dad s PHE 24 Ca 0.17 -2.34 -0.05 0.00 -0.60 0.00 0.00 56.93 54.11 2dad s PHE 24 Cb -0.11 -2.21 0.29 0.00 0.51 0.00 0.00 43.02 41.50 2dad s PHE 24 CO 0.07 -0.88 1.86 1.49 0.70 0.00 0.00 175.22 178.46 2dad h GLU 25 N 7.82 1.13 -5.90 0.44 4.81 -1.83 -3.15 114.58 117.89 2dad h GLU 25 Ca -0.11 -0.15 -0.58 0.00 -0.13 0.00 0.00 59.36 58.39 2dad h GLU 25 Cb 1.03 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 2dad h GLU 25 CO 0.48 0.85 -0.32 -1.83 -0.73 0.00 0.00 179.01 177.45 2dad s GLU 26 N -5.69 2.26 0.53 1.92 4.04 -1.26 -4.49 118.70 116.01 2dad s GLU 26 Ca -0.12 -2.01 -0.22 0.00 0.04 0.00 0.00 54.97 52.66 2dad s GLU 26 Cb 0.17 -2.08 -0.06 0.00 0.02 0.00 0.00 34.13 32.18 2dad s GLU 26 CO 0.82 -0.57 1.29 2.41 -1.84 0.00 0.00 175.26 177.37 2dad n THR 27 N -1.71 3.59 -4.56 1.83 -1.04 -1.26 -4.92 114.28 106.20 2dad n THR 27 Ca -0.02 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.22 2dad n THR 27 Cb 0.64 -1.58 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 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 -1.30 1.85 -0.10 12.58 2.01 -1.20 -4.98 115.64 124.50 2dad s THR 28 Ca 0.70 -1.40 0.07 0.00 0.31 0.00 0.00 61.69 61.37 2dad s THR 28 Cb -0.43 -1.62 -0.11 0.00 0.01 0.00 0.00 72.50 70.34 2dad s THR 28 CO 0.50 0.15 0.00 -1.54 -0.69 0.00 0.00 174.62 173.05 2dad n SER 29 N 1.51 2.74 -3.79 3.53 3.41 -1.26 -0.58 113.62 119.18 2dad n SER 29 Ca -0.18 -0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 2dad n SER 29 Cb 0.53 0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2dad s GLN 30 N -2.23 0.11 0.23 4.33 0.74 -1.16 -3.63 119.66 118.05 2dad s GLN 30 Ca -0.07 0.26 -0.14 0.00 0.05 0.00 0.00 55.36 55.46 2dad s GLN 30 Cb 0.03 -0.06 -0.08 0.00 1.10 0.00 0.00 33.01 34.01 2dad s GLN 30 CO 0.37 -0.09 0.63 0.42 -0.55 0.00 0.00 175.29 176.06 2dad s ILE 31 N 0.60 4.79 -0.60 -2.34 -1.09 -0.54 -4.95 121.20 117.06 2dad s ILE 31 Ca -0.04 0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 58.91 2dad s ILE 31 Cb -0.06 -3.69 -0.12 0.00 -1.58 0.00 0.00 42.46 37.01 2dad s ILE 31 CO -0.03 0.04 2.45 0.47 -1.23 0.00 0.00 174.94 176.64 2dad n ASP 32 N 0.22 1.70 -2.73 3.58 9.92 -1.26 -0.81 116.55 127.16 2dad n ASP 32 Ca -0.01 -0.09 -0.18 0.00 -0.53 0.00 0.00 54.79 53.98 2dad n ASP 32 Cb 0.52 -1.32 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 0.47 0.13 0.00 0.00 177.20 177.80 2dad n ASP 33 N 12.90 -4.62 -3.81 -2.24 8.00 -1.26 -1.24 116.55 124.28 2dad n ASP 33 Ca 0.46 -0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 2dad n ASP 33 Cb 0.32 -3.85 -0.03 0.00 -0.02 0.00 0.00 41.12 37.55 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dad n SER 34 N -2.07 -2.98 -4.59 -2.24 3.41 0.01 -4.76 113.62 100.40 2dad n SER 34 Ca -0.13 -0.68 -0.51 0.00 -0.26 0.00 0.00 58.87 57.29 2dad n SER 34 Cb 0.61 -2.49 -0.06 0.00 -0.26 0.00 0.00 64.21 62.01 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 -3.98 1.97 -1.55 7.33 1.16 -0.37 -4.87 117.46 117.14 2dad n PHE 35 Ca 0.05 0.20 -0.38 0.00 -1.87 0.00 0.00 57.45 55.45 2dad n PHE 35 Cb 0.50 -2.58 0.04 0.00 -1.61 0.00 0.00 39.48 35.84 2dad n PHE 35 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2dad n SER 36 N 8.01 -0.00 -3.76 5.98 2.88 -1.26 -4.81 113.62 120.66 2dad n SER 36 Ca 0.31 0.79 -0.27 0.00 -1.33 0.00 0.00 58.87 58.38 2dad n SER 36 Cb 0.25 -1.29 -0.17 0.00 -0.75 0.00 0.00 64.21 62.25 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dad s THR 37 N -1.58 0.58 -0.02 2.46 2.01 -1.26 -4.10 115.64 113.73 2dad s THR 37 Ca 0.72 -0.48 0.12 0.00 0.31 0.00 0.00 61.69 62.36 2dad s THR 37 Cb -0.44 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 70.91 2dad s THR 37 CO 0.51 -0.10 1.02 0.11 -0.69 0.00 0.00 174.62 175.47 2dad h LYS 38 N 8.24 0.00 -4.59 4.92 1.57 -1.44 -3.47 116.57 121.79 2dad h LYS 38 Ca -0.17 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.33 2dad h LYS 38 Cb 1.12 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 2dad h LYS 38 CO 0.33 0.63 -0.73 -1.54 -0.57 0.00 0.00 179.45 177.57 2dad s SER 39 N -6.30 0.90 0.25 0.86 1.04 -1.19 -1.73 113.70 107.52 2dad s SER 39 Ca -0.01 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.84 2dad s SER 39 Cb 0.09 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2dad s SER 39 CO 0.81 -0.23 0.16 0.00 0.98 0.00 0.00 173.24 174.96 2dad s ARG 41 N -3.96 0.20 -0.18 0.00 3.52 0.34 -2.07 118.95 116.81 2dad s ARG 41 Ca 0.39 -0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.78 2dad s ARG 41 Cb 0.06 -1.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 2dad s ARG 41 CO 0.16 -0.81 0.39 0.08 -0.81 0.00 0.00 175.30 174.31 2dad s VAL 42 N 2.27 5.22 -0.27 7.11 1.01 -1.18 -0.20 120.40 134.36 2dad s VAL 42 Ca 0.07 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2dad s VAL 42 Cb -0.15 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.64 2dad s VAL 42 CO -0.21 0.29 0.33 -0.55 0.00 0.00 0.00 175.10 174.97 2dad s SER 43 N 0.85 0.98 0.00 3.32 0.15 -0.44 -2.48 113.70 116.07 2dad s SER 43 Ca 0.19 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2dad s SER 43 Cb -0.14 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dad s SER 43 CO 0.07 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dad n GLY 44 N 5.34 1.64 0.00 9.45 0.00 -1.26 -1.15 105.19 119.21 2dad n GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 1.08 3.91 -0.02 0.00 -1.26 -2.48 105.19 106.29 2dad n GLY 45 Ca 0.00 -2.30 -0.27 0.00 0.00 0.00 0.00 46.02 43.45 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 5.89 -0.10 1.61 0.01 -0.36 -4.37 113.70 116.39 2dad s SER 46 Ca 0.00 0.81 -0.04 0.00 1.31 0.00 0.00 55.95 58.03 2dad s SER 46 Cb 0.00 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.33 2dad s SER 46 CO 0.00 -0.85 0.21 0.26 0.41 0.00 0.00 173.24 173.27 2dad s TRP 47 N -2.88 -0.28 -0.25 2.43 0.52 -0.94 -2.69 118.94 114.85 2dad s TRP 47 Ca 0.51 0.71 -0.13 0.00 0.02 0.00 0.00 56.10 57.22 2dad s TRP 47 Cb -0.10 -0.05 -0.04 0.00 -1.15 0.00 0.00 33.47 32.12 2dad s TRP 47 CO 0.45 -0.24 0.26 0.08 0.02 0.00 0.00 176.95 177.52 2dad s VAL 48 N 1.61 5.27 -0.19 4.03 1.01 -0.82 -1.14 120.40 130.17 2dad s VAL 48 Ca -0.05 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2dad s VAL 48 Cb -0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2dad s VAL 48 CO -0.07 0.26 -0.02 0.68 0.00 0.00 0.00 175.10 175.94 2dad s VAL 49 N 1.54 3.83 -0.06 2.92 -7.23 -0.48 -1.71 120.40 119.20 2dad s VAL 49 Ca 0.11 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 2dad s VAL 49 Cb -0.15 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2dad s VAL 49 CO 0.08 0.45 0.06 -0.31 -0.31 0.00 0.00 175.10 175.08 2dad s TYR 50 N 0.84 3.30 -1.06 2.82 1.51 -0.51 -1.48 117.35 122.77 2dad s TYR 50 Ca -0.00 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 2dad s TYR 50 Cb -0.14 -1.79 0.21 0.00 -0.11 0.00 0.00 41.96 40.12 2dad s TYR 50 CO 0.02 0.56 0.90 -0.40 -1.11 0.00 0.00 175.55 175.52 2dad n ASP 51 N 1.68 2.00 -3.85 2.29 5.75 -1.22 0.07 116.55 123.26 2dad n ASP 51 Ca -0.16 -2.19 -0.12 0.00 -0.01 0.00 0.00 54.79 52.30 2dad n ASP 51 Cb 0.53 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2dad s GLY 52 N -0.38 -0.04 0.55 6.12 0.00 -0.67 -4.80 107.32 108.10 2dad s GLY 52 Ca 0.14 0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.83 2dad s GLY 52 CO 0.05 0.14 1.30 1.18 0.00 0.00 0.00 173.10 175.77 2dad n GLU 53 N 2.85 1.59 -2.83 2.90 1.02 -1.26 -1.92 120.64 122.99 2dad n GLU 53 Ca -0.14 0.59 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 2dad n GLU 53 Cb 0.59 -2.51 0.03 0.00 -0.02 0.00 0.00 31.44 29.53 2dad n GLU 53 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dad n ASN 54 N -0.93 -4.61 -3.75 1.62 3.02 -1.24 -2.67 115.26 106.70 2dad n ASN 54 Ca 0.11 -0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 2dad n ASN 54 Cb 0.45 -3.43 0.03 0.00 -0.61 0.00 0.00 39.78 36.21 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 -4.09 -2.30 -3.95 3.10 3.72 -1.11 -4.97 117.46 107.85 2dad n PHE 55 Ca -0.06 0.85 -0.21 0.00 -0.05 0.00 0.00 57.45 57.97 2dad n PHE 55 Cb 0.57 -4.05 -0.02 0.00 -0.94 0.00 0.00 39.48 35.04 2dad n PHE 55 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2dad s THR 56 N -3.25 4.90 0.00 4.37 -4.23 -0.81 -4.94 115.64 111.68 2dad s THR 56 Ca 0.61 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2dad s THR 56 Cb -0.30 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2dad s THR 56 CO 0.75 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2dad n GLY 57 N -1.37 0.74 4.02 3.99 0.00 -1.26 -1.67 105.19 109.64 2dad n GLY 57 Ca -0.08 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 5.25 -0.06 1.61 0.01 -1.26 -4.97 114.94 111.52 2dad s ASN 58 Ca 0.00 -0.67 -0.04 0.00 -0.71 0.00 0.00 52.86 51.43 2dad s ASN 58 Cb 0.00 -0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.63 2dad s ASN 58 CO 0.00 -1.17 0.14 0.00 -1.51 0.00 0.00 177.10 174.56 2dad s GLN 59 N -4.59 0.15 -0.19 -0.60 -2.07 -1.26 -3.40 119.66 107.70 2dad s GLN 59 Ca 0.60 0.24 -0.03 0.00 -1.82 0.00 0.00 55.36 54.35 2dad s GLN 59 Cb -0.07 0.02 0.06 0.00 -1.09 0.00 0.00 33.01 31.93 2dad s GLN 59 CO 0.37 -0.05 0.05 0.71 -1.32 0.00 0.00 175.29 175.05 2dad s TYR 60 N 0.34 0.81 0.72 9.60 1.51 -0.55 -4.94 117.35 124.84 2dad s TYR 60 Ca -0.02 -0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 55.22 2dad s TYR 60 Cb -0.03 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2dad s TYR 60 CO -0.01 -0.58 1.08 0.14 -1.11 0.00 0.00 175.55 175.06 2dad s VAL 61 N 1.93 3.68 -0.07 0.71 -7.23 -1.26 -1.38 120.40 116.77 2dad s VAL 61 Ca -0.00 0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 2dad s VAL 61 Cb -0.17 -3.36 0.04 0.00 0.56 0.00 0.00 36.38 33.46 2dad s VAL 61 CO -0.08 -0.71 0.14 -0.76 -0.31 0.00 0.00 175.10 173.38 2dad s LEU 62 N -5.55 0.37 0.66 1.32 1.43 -0.30 -4.93 118.68 111.69 2dad s LEU 62 Ca 0.59 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.90 2dad s LEU 62 Cb -0.13 0.29 0.03 0.00 0.03 0.00 0.00 46.19 46.41 2dad s LEU 62 CO 0.54 -0.19 1.00 -1.61 0.23 0.00 0.00 176.35 176.32 2dad s GLU 63 N 1.68 2.66 -0.10 1.70 2.02 -1.26 -2.21 118.70 123.19 2dad s GLU 63 Ca -0.03 0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.73 2dad s GLU 63 Cb -0.12 -2.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 2dad s GLU 63 CO -0.06 -0.98 2.11 -2.00 0.02 0.00 0.00 175.26 174.35 2dad s GLU 64 N -5.19 3.60 0.00 1.61 2.12 -1.26 -4.63 118.70 114.94 2dad s GLU 64 Ca 0.57 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.21 2dad s GLU 64 Cb -0.11 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 30.00 2dad s GLU 64 CO 0.47 -1.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.02 2dad n GLY 65 N 5.20 2.10 3.58 -1.50 0.00 -1.04 -5.01 105.19 108.53 2dad n GLY 65 Ca 0.25 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 3.04 -0.51 1.61 -3.43 -1.26 -3.11 115.29 109.63 2dad s HIS 66 Ca 0.00 0.55 -0.15 0.00 -0.80 0.00 0.00 55.06 54.66 2dad s HIS 66 Cb 0.00 -3.67 0.11 0.00 -1.43 0.00 0.00 32.58 27.59 2dad s HIS 66 CO 0.00 -0.89 0.45 0.71 -2.00 0.00 0.00 174.74 173.00 2dad s TYR 67 N 3.43 3.26 0.26 0.38 2.02 -0.88 -4.92 117.35 120.91 2dad s TYR 67 Ca 0.35 -1.20 0.19 0.00 -0.37 0.00 0.00 57.07 56.04 2dad s TYR 67 Cb -0.12 -3.53 0.82 0.00 -0.40 0.00 0.00 41.96 38.74 2dad s TYR 67 CO 0.21 -0.93 1.81 -1.00 -1.57 0.00 0.00 175.55 174.07 2dad h PRO 68 N 8.80 0.00 -4.78 -1.71 0.13 -1.92 -2.58 132.00 129.95 2dad h PRO 68 Ca -0.29 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.44 2dad h PRO 68 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 2dad h PRO 68 CO 0.96 0.34 -0.50 0.00 -0.23 0.00 0.00 178.00 178.57 2dad h LEU 70 N 2.24 -0.04 -0.38 0.00 3.38 -1.67 -3.34 115.31 115.50 2dad h LEU 70 Ca -0.27 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.08 2dad h LEU 70 Cb 1.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2dad h LEU 70 CO 0.40 0.73 -0.22 -0.24 0.09 0.00 0.00 178.44 179.20 2dad n SER 71 N -4.73 -0.40 -0.38 -0.43 2.88 -1.26 0.21 113.62 109.51 2dad n SER 71 Ca -0.08 1.05 0.30 0.00 -1.33 0.00 0.00 58.87 58.81 2dad n SER 71 Cb 0.34 -0.27 0.57 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.18 2.40 0.00 -1.46 0.00 -1.92 1.44 119.26 119.53 2dad h ALA 72 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2dad h ALA 72 Cb 0.16 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dad h ALA 72 CO -0.36 -0.98 -0.68 0.52 0.00 0.00 0.00 179.25 177.76 2dad h MET 73 N 0.21 0.00 0.00 0.00 2.07 0.24 -3.48 114.93 113.98 2dad h MET 73 Ca 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.38 2dad h MET 73 Cb 2.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.81 2dad h MET 73 CO -0.45 0.68 0.00 0.41 1.07 0.00 0.00 176.91 178.62 2dad n GLY 74 N 0.54 2.06 3.43 8.32 0.00 0.49 -5.00 105.19 115.03 2dad n GLY 74 Ca -0.01 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.36 0.26 0.00 0.00 0.04 -1.26 -4.14 135.00 126.54 2dad s PRO 76 Ca 0.59 0.47 0.10 0.00 0.04 0.00 0.00 61.00 62.21 2dad s PRO 76 Cb -0.25 -1.72 0.61 0.00 0.04 0.00 0.00 34.50 33.17 2dad s PRO 76 CO 0.65 -2.84 1.04 -0.35 0.04 0.00 0.00 177.00 175.54 2dad n PRO 77 N -4.24 0.49 -2.69 0.56 -0.04 -1.26 -3.21 135.00 124.60 2dad n PRO 77 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2dad n PRO 77 Cb 0.57 -1.33 0.08 0.00 -0.04 0.00 0.00 33.50 32.79 2dad n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dad n GLY 78 N -0.02 1.49 3.78 0.55 0.00 -1.26 -5.11 105.19 104.62 2dad n GLY 78 Ca 0.08 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 3.71 -0.25 4.61 0.00 -1.20 -5.08 121.76 122.32 2dad s ALA 79 Ca 0.23 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2dad s ALA 79 Cb 0.42 -2.21 0.06 0.00 0.00 0.00 0.00 23.12 21.39 2dad s ALA 79 CO -0.04 0.31 -0.07 0.99 0.00 0.00 0.00 175.76 176.94 2dad s THR 80 N -0.18 1.78 0.24 0.00 2.01 -1.26 -4.47 115.64 113.76 2dad s THR 80 Ca 0.15 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 2dad s THR 80 Cb -0.13 -1.99 -0.10 0.00 0.01 0.00 0.00 72.50 70.29 2dad s THR 80 CO 0.04 -0.09 1.42 -0.36 -0.69 0.00 0.00 174.62 174.93 2dad s PHE 81 N 1.28 3.06 -0.02 4.92 0.08 -1.26 -4.31 117.98 121.72 2dad s PHE 81 Ca -0.06 1.05 0.01 0.00 0.12 0.00 0.00 56.93 58.05 2dad s PHE 81 Cb -0.19 -3.79 -0.02 0.00 -0.57 0.00 0.00 43.02 38.45 2dad s PHE 81 CO -0.06 -2.55 0.00 1.63 -0.10 0.00 0.00 175.22 174.14 2dad n LYS 82 N 2.40 2.83 -3.98 0.44 5.02 0.11 -4.69 118.16 120.29 2dad n LYS 82 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 2dad n LYS 82 Cb 0.41 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 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 -3.48 0.24 0.33 4.39 1.04 -1.17 -1.47 113.70 113.58 2dad s SER 83 Ca -0.02 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 55.99 2dad s SER 83 Cb 0.01 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 2dad s SER 83 CO 0.08 -0.33 -0.08 -0.76 0.98 0.00 0.00 173.24 173.13 2dad s LEU 84 N -1.58 2.67 -0.28 2.42 1.43 0.26 -1.42 118.68 122.19 2dad s LEU 84 Ca -0.14 -1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 51.75 2dad s LEU 84 Cb -0.08 -0.90 0.17 0.00 0.03 0.00 0.00 46.19 45.41 2dad s LEU 84 CO -0.02 -0.26 0.50 -0.60 0.23 0.00 0.00 176.35 176.21 2dad s ARG 85 N -3.65 0.48 -0.49 1.70 3.52 -0.70 -3.26 118.95 116.55 2dad s ARG 85 Ca 0.32 0.68 -0.28 0.00 -0.13 0.00 0.00 55.73 56.33 2dad s ARG 85 Cb 0.03 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 2dad s ARG 85 CO 0.16 -0.74 1.68 0.12 -0.81 0.00 0.00 175.30 175.71 2dad s PHE 86 N 2.72 1.94 0.00 5.12 5.36 -1.26 -1.94 117.98 129.92 2dad s PHE 86 Ca 0.15 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.76 2dad s PHE 86 Cb -0.14 -4.20 -0.00 0.00 -0.34 0.00 0.00 43.02 38.33 2dad s PHE 86 CO -0.21 -2.39 0.67 0.82 -1.46 0.00 0.00 175.22 172.65 2dad h ILE 87 N 6.69 0.00 -2.13 3.12 2.04 -1.90 -3.50 117.51 121.83 2dad h ILE 87 Ca -0.29 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 65.72 2dad h ILE 87 Cb 1.14 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.08 2dad h ILE 87 CO 1.13 0.00 0.56 -0.94 0.00 0.00 0.00 178.15 178.90 2dad s SER 88 N -2.41 -0.28 0.00 1.72 1.04 -1.26 -4.99 113.70 107.51 2dad s SER 88 Ca -0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dad s SER 88 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2dad s SER 88 CO 0.01 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2dad n GLY 89 N -0.28 4.21 0.00 7.32 0.00 -1.26 -1.22 105.19 113.96 2dad n GLY 89 Ca -0.07 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.15 0.49 -3.27 1.61 -0.04 -1.26 -4.62 135.00 127.76 2dad n PRO 90 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2dad n PRO 90 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2dad n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dad s SER 91 N -1.86 6.28 0.17 3.54 1.04 -1.26 -4.96 113.70 116.65 2dad s SER 91 Ca 0.17 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 2dad s SER 91 Cb 0.08 -2.26 0.12 0.00 0.10 0.00 0.00 66.02 64.06 2dad s SER 91 CO 0.13 -0.50 1.69 -1.28 0.98 0.00 0.00 173.24 174.26 2dad h SER 92 N 8.54 -0.21 -0.02 7.02 0.87 -1.99 -3.51 113.55 124.24 2dad h SER 92 Ca -0.28 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2dad h SER 92 Cb 1.12 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2dad h SER 92 CO 0.77 -0.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.62