#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 0.69 -5.03 1.61 0.02 -2.12 -3.46 113.55 105.26 2dad h SER 2 Ca 0.00 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2dad h SER 2 Cb 0.00 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 62.22 2dad h SER 2 CO 0.00 0.71 0.07 -0.55 -1.14 0.00 0.00 176.83 175.92 2dad s SER 3 N -6.03 -0.44 0.00 3.07 0.15 -1.26 -5.18 113.70 104.02 2dad s SER 3 Ca -0.13 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2dad s SER 3 Cb 0.11 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dad s SER 3 CO 0.78 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2dad n GLY 4 N 0.01 -0.95 3.72 9.45 0.00 -1.26 -4.98 105.19 111.19 2dad n GLY 4 Ca -0.17 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2dad n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dad s SER 5 N -1.44 4.11 0.06 1.61 0.15 -1.26 -5.05 113.70 111.88 2dad s SER 5 Ca 0.00 2.22 -0.07 0.00 0.70 0.00 0.00 55.95 58.80 2dad s SER 5 Cb 0.00 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2dad s SER 5 CO 0.00 -2.31 0.14 -0.44 1.20 0.00 0.00 173.24 171.83 2dad s SER 6 N -2.37 0.17 0.98 5.45 0.01 -1.26 -5.12 113.70 111.56 2dad s SER 6 Ca 0.70 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 2dad s SER 6 Cb -0.25 0.28 0.18 0.00 0.21 0.00 0.00 66.02 66.43 2dad s SER 6 CO 0.48 -0.62 1.09 -0.83 0.41 0.00 0.00 173.24 173.78 2dad s GLY 7 N -2.52 1.63 -0.06 3.44 0.00 -1.20 -4.91 107.32 103.70 2dad s GLY 7 Ca 0.01 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 2dad s GLY 7 CO -0.08 0.72 0.16 1.62 0.00 0.00 0.00 173.10 175.53 2dad s GLN 8 N -4.68 0.18 0.06 2.90 -0.44 0.13 -4.54 119.66 113.28 2dad s GLN 8 Ca 0.66 0.25 0.06 0.00 -2.50 0.00 0.00 55.36 53.83 2dad s GLN 8 Cb -0.22 0.06 -0.03 0.00 -1.64 0.00 0.00 33.01 31.19 2dad s GLN 8 CO 0.60 -0.04 -0.16 -1.50 0.50 0.00 0.00 175.29 174.68 2dad s ILE 9 N 0.22 1.32 -0.25 -2.34 2.07 -0.81 -0.07 121.20 121.34 2dad s ILE 9 Ca -0.01 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.05 2dad s ILE 9 Cb -0.02 -1.20 0.07 0.00 0.13 0.00 0.00 42.46 41.44 2dad s ILE 9 CO -0.01 -0.02 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.70 2dad s HIS 10 N -0.98 2.38 0.07 3.50 5.65 0.72 -0.85 115.29 125.79 2dad s HIS 10 Ca 0.03 -1.82 -0.03 0.00 0.25 0.00 0.00 55.06 53.48 2dad s HIS 10 Cb -0.09 -1.68 -0.05 0.00 -1.18 0.00 0.00 32.58 29.58 2dad s HIS 10 CO 0.02 -0.79 0.27 -0.51 -0.65 0.00 0.00 174.74 173.08 2dad s LEU 11 N 1.40 4.33 -0.06 8.88 2.01 0.10 0.77 118.68 136.12 2dad s LEU 11 Ca -0.03 0.45 0.00 0.00 0.01 0.00 0.00 54.13 54.57 2dad s LEU 11 Cb -0.19 -2.96 0.02 0.00 0.01 0.00 0.00 46.19 43.08 2dad s LEU 11 CO -0.08 0.16 -0.04 -0.36 1.01 0.00 0.00 176.35 177.05 2dad s PHE 12 N -1.48 0.80 0.25 0.29 0.40 -0.53 -0.27 117.98 117.43 2dad s PHE 12 Ca 0.34 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2dad s PHE 12 Cb -0.13 -0.76 0.42 0.00 0.51 0.00 0.00 43.02 43.06 2dad s PHE 12 CO 0.23 -0.26 1.80 1.03 0.70 0.00 0.00 175.22 178.72 2dad h SER 13 N 7.58 0.63 -2.50 1.36 0.87 -1.29 -2.64 113.55 117.57 2dad h SER 13 Ca -0.32 0.06 -0.53 0.00 -1.23 0.00 0.00 61.79 59.77 2dad h SER 13 Cb 1.14 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 2dad h SER 13 CO 0.41 0.35 -0.49 -1.61 -0.53 0.00 0.00 176.83 174.96 2dad s GLU 14 N -6.02 3.28 0.91 2.24 0.41 -0.98 -3.23 118.70 115.32 2dad s GLU 14 Ca -0.12 -0.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.60 2dad s GLU 14 Cb 0.20 -2.85 0.14 0.00 -1.78 0.00 0.00 34.13 29.83 2dad s GLU 14 CO 0.78 0.49 1.09 -1.25 -0.49 0.00 0.00 175.26 175.88 2dad s PRO 15 N -3.39 1.13 -1.43 0.39 0.04 -1.26 -3.07 135.00 127.41 2dad s PRO 15 Ca 0.33 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2dad s PRO 15 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dad s PRO 15 CO 0.27 -2.32 0.37 1.04 0.04 0.00 0.00 177.00 176.41 2dad n GLN 16 N -3.93 -3.45 -3.88 4.56 1.13 0.15 -2.34 117.38 109.62 2dad n GLN 16 Ca 0.07 0.83 -0.28 0.00 -1.94 0.00 0.00 57.00 55.68 2dad n GLN 16 Cb 0.56 -5.42 0.02 0.00 0.11 0.00 0.00 30.24 25.50 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2dad n PHE 17 N -4.26 -2.09 -4.61 1.08 3.72 -1.25 -4.97 117.46 105.07 2dad n PHE 17 Ca -0.14 0.86 -0.32 0.00 -0.05 0.00 0.00 57.45 57.81 2dad n PHE 17 Cb 0.62 -3.99 -0.06 0.00 -0.94 0.00 0.00 39.48 35.11 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 -6.46 2.22 3.53 -1.08 -0.21 -0.99 -5.05 119.66 111.62 2dad s GLN 18 Ca 0.42 -2.35 0.00 0.00 0.02 0.00 0.00 55.36 53.45 2dad s GLN 18 Cb -0.21 -1.63 0.00 0.00 1.00 0.00 0.00 33.01 32.17 2dad s GLN 18 CO 0.84 -0.43 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2dad n GLY 19 N -1.37 0.72 3.55 3.09 0.00 -1.26 -2.31 105.19 107.61 2dad n GLY 19 Ca -0.17 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2dad n GLY 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2dad n HIS 20 N 0.00 0.15 -3.88 1.61 -0.00 -1.26 -4.77 115.22 107.07 2dad n HIS 20 Ca 0.00 0.41 -0.14 0.00 0.46 0.00 0.00 57.72 58.45 2dad n HIS 20 Cb 0.00 -2.04 -0.15 0.00 -0.12 0.00 0.00 29.99 27.68 2dad n HIS 20 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2dad s SER 21 N -1.37 0.16 -0.09 0.26 1.04 -1.26 -1.22 113.70 111.21 2dad s SER 21 Ca 0.72 -0.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 2dad s SER 21 Cb -0.39 -0.07 0.05 0.00 0.10 0.00 0.00 66.02 65.71 2dad s SER 21 CO 0.51 -0.05 0.16 -1.10 0.98 0.00 0.00 173.24 173.74 2dad s GLN 22 N 0.51 0.04 -0.06 4.02 -0.21 0.63 -5.00 119.66 119.59 2dad s GLN 22 Ca -0.04 0.53 0.01 0.00 0.02 0.00 0.00 55.36 55.88 2dad s GLN 22 Cb -0.07 -0.37 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 2dad s GLN 22 CO -0.01 -0.34 -0.08 -1.54 -2.12 0.00 0.00 175.29 171.20 2dad s SER 23 N 2.29 4.59 -0.14 5.90 1.04 -1.26 0.00 113.70 126.12 2dad s SER 23 Ca 0.03 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2dad s SER 23 Cb -0.12 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 64.89 2dad s SER 23 CO -0.06 0.35 -0.17 -0.36 0.98 0.00 0.00 173.24 173.98 2dad s PHE 24 N -0.83 2.35 -0.04 5.02 0.08 -0.03 -4.99 117.98 119.55 2dad s PHE 24 Ca 0.13 -1.27 0.03 0.00 0.12 0.00 0.00 56.93 55.94 2dad s PHE 24 Cb -0.11 -1.67 -0.25 0.00 -0.57 0.00 0.00 43.02 40.42 2dad s PHE 24 CO 0.02 -0.65 0.67 0.93 -0.10 0.00 0.00 175.22 176.10 2dad h GLU 25 N 7.75 0.14 -5.64 0.44 3.07 -1.85 -2.14 114.58 116.34 2dad h GLU 25 Ca -0.37 -0.24 -0.62 0.00 -0.50 0.00 0.00 59.36 57.63 2dad h GLU 25 Cb 1.16 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 29.05 2dad h GLU 25 CO 0.55 0.88 -0.49 -1.83 -1.40 0.00 0.00 179.01 176.72 2dad s GLU 26 N -2.60 2.16 0.27 2.33 -1.05 -1.26 -4.44 118.70 114.10 2dad s GLU 26 Ca -0.10 -2.10 -0.31 0.00 -0.15 0.00 0.00 54.97 52.32 2dad s GLU 26 Cb 0.07 -1.79 -0.13 0.00 -0.44 0.00 0.00 34.13 31.85 2dad s GLU 26 CO 0.82 -0.25 1.47 2.41 0.95 0.00 0.00 175.26 180.66 2dad n THR 27 N -1.27 1.05 -4.56 1.83 -1.04 -1.26 -4.93 114.28 104.10 2dad n THR 27 Ca -0.07 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.37 2dad n THR 27 Cb 0.66 -1.67 -0.12 0.00 -1.82 0.00 0.00 70.33 67.37 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 -0.11 2.80 -0.00 12.58 2.01 -1.10 -4.98 115.64 126.83 2dad s THR 28 Ca 0.66 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2dad s THR 28 Cb -0.58 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2dad s THR 28 CO 0.50 0.27 0.04 -0.24 -0.69 0.00 0.00 174.62 174.51 2dad n SER 29 N 1.35 4.50 -4.01 3.53 2.88 -1.26 0.63 113.62 121.23 2dad n SER 29 Ca -0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 2dad n SER 29 Cb 0.52 1.06 -0.12 0.00 -0.75 0.00 0.00 64.21 64.92 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 -2.14 0.41 0.07 -1.46 0.74 -1.18 -3.04 119.66 113.06 2dad s GLN 30 Ca -0.01 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 54.87 2dad s GLN 30 Cb 0.01 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2dad s GLN 30 CO 0.09 0.02 -0.10 0.42 -0.55 0.00 0.00 175.29 175.17 2dad s ILE 31 N -1.16 3.38 -0.68 -2.34 -1.09 -1.06 -4.88 121.20 113.38 2dad s ILE 31 Ca -0.10 -1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 56.88 2dad s ILE 31 Cb -0.08 -2.54 -0.14 0.00 -1.58 0.00 0.00 42.46 38.11 2dad s ILE 31 CO -0.00 0.20 2.49 -0.67 -1.23 0.00 0.00 174.94 175.73 2dad n ASP 32 N 1.00 1.39 -2.82 3.58 -0.08 -1.26 -1.06 116.55 117.30 2dad n ASP 32 Ca -0.14 -0.03 -0.13 0.00 -1.51 0.00 0.00 54.79 52.98 2dad n ASP 32 Cb 0.52 -1.23 -0.01 0.00 2.34 0.00 0.00 41.12 42.74 2dad n ASP 32 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2dad n ASP 33 N 12.37 -2.74 -3.61 1.67 9.92 -1.26 0.54 116.55 133.44 2dad n ASP 33 Ca 0.50 0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 54.56 2dad n ASP 33 Cb 0.26 -2.36 0.03 0.00 -0.64 0.00 0.00 41.12 38.41 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dad n SER 34 N -1.86 -5.23 -4.62 -2.24 3.41 -0.22 -4.83 113.62 98.03 2dad n SER 34 Ca -0.05 -0.59 -0.49 0.00 -0.26 0.00 0.00 58.87 57.48 2dad n SER 34 Cb 0.55 -4.18 -0.05 0.00 -0.26 0.00 0.00 64.21 60.26 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 -4.62 2.09 -0.73 7.33 1.16 0.19 -4.91 117.46 117.97 2dad n PHE 35 Ca 0.00 0.10 -0.32 0.00 -1.87 0.00 0.00 57.45 55.36 2dad n PHE 35 Cb 0.55 -2.62 0.15 0.00 -1.61 0.00 0.00 39.48 35.95 2dad n PHE 35 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2dad n SER 36 N 7.86 -1.61 -3.68 5.98 3.41 -1.26 -4.81 113.62 119.50 2dad n SER 36 Ca 0.28 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 2dad n SER 36 Cb 0.28 -1.23 -0.13 0.00 -0.26 0.00 0.00 64.21 62.87 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dad s THR 37 N -2.42 -0.33 -0.15 6.66 2.01 -1.26 -3.97 115.64 116.18 2dad s THR 37 Ca 0.60 0.25 0.18 0.00 0.31 0.00 0.00 61.69 63.02 2dad s THR 37 Cb -0.20 -0.43 -0.25 0.00 0.01 0.00 0.00 72.50 71.63 2dad s THR 37 CO 0.65 0.11 0.28 0.29 -0.69 0.00 0.00 174.62 175.26 2dad n LYS 38 N 5.09 0.67 -4.22 4.92 5.02 -1.00 -4.95 118.16 123.69 2dad n LYS 38 Ca -0.11 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.05 2dad n LYS 38 Cb 0.50 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2dad n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 39 N -5.48 1.87 0.11 4.39 1.04 -1.20 -1.34 113.70 113.09 2dad s SER 39 Ca -0.08 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.48 2dad s SER 39 Cb 0.08 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2dad s SER 39 CO 0.84 -0.16 0.18 0.00 0.98 0.00 0.00 173.24 175.08 2dad s ARG 41 N -3.92 0.20 0.19 0.00 3.00 0.23 -0.51 118.95 118.14 2dad s ARG 41 Ca 0.11 -0.34 -0.24 0.00 -1.00 0.00 0.00 55.73 54.27 2dad s ARG 41 Cb 0.05 -1.15 -0.08 0.00 0.00 0.00 0.00 34.95 33.77 2dad s ARG 41 CO -0.06 -0.95 0.77 0.08 0.00 0.00 0.00 175.30 175.14 2dad s VAL 42 N 2.17 4.42 -0.29 7.11 1.01 -0.78 -0.20 120.40 133.85 2dad s VAL 42 Ca 0.08 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2dad s VAL 42 Cb -0.16 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 32.36 2dad s VAL 42 CO -0.31 0.40 0.55 -0.44 0.00 0.00 0.00 175.10 175.30 2dad s SER 43 N -1.33 -1.05 0.00 3.32 0.01 0.90 -2.77 113.70 112.78 2dad s SER 43 Ca 0.39 0.47 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2dad s SER 43 Cb -0.21 1.88 0.00 0.00 0.21 0.00 0.00 66.02 67.90 2dad s SER 43 CO 0.24 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2dad n GLY 44 N 5.41 1.84 0.00 3.44 0.00 -1.26 -0.69 105.19 113.93 2dad n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 0.15 3.94 -0.02 0.00 -1.26 -3.27 105.19 104.37 2dad n GLY 45 Ca 0.00 -2.30 -0.24 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.76 6.03 -0.06 1.61 0.01 -0.22 -4.14 113.70 113.16 2dad s SER 46 Ca 0.00 0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 2dad s SER 46 Cb 0.00 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.45 2dad s SER 46 CO 0.00 -0.58 0.12 0.26 0.41 0.00 0.00 173.24 173.45 2dad s TRP 47 N -2.54 -0.11 -0.22 2.43 0.52 -1.07 -2.82 118.94 115.12 2dad s TRP 47 Ca 0.46 0.45 -0.14 0.00 0.02 0.00 0.00 56.10 56.88 2dad s TRP 47 Cb -0.10 -0.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.95 2dad s TRP 47 CO 0.39 -0.20 0.33 0.08 0.02 0.00 0.00 176.95 177.58 2dad s VAL 48 N 1.72 5.24 -0.18 4.03 1.01 -0.73 -1.44 120.40 130.05 2dad s VAL 48 Ca -0.03 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2dad s VAL 48 Cb -0.12 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2dad s VAL 48 CO -0.05 0.26 -0.02 0.68 0.00 0.00 0.00 175.10 175.97 2dad s VAL 49 N 1.37 3.88 -0.16 2.92 -7.23 -0.61 -1.47 120.40 119.09 2dad s VAL 49 Ca 0.15 -0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 2dad s VAL 49 Cb -0.15 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 2dad s VAL 49 CO 0.07 0.46 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.96 2dad s TYR 50 N 0.70 2.98 -0.26 2.82 1.51 -0.14 -1.32 117.35 123.63 2dad s TYR 50 Ca -0.01 -0.43 0.24 0.00 -1.01 0.00 0.00 57.07 55.86 2dad s TYR 50 Cb -0.14 -1.96 1.16 0.00 -0.11 0.00 0.00 41.96 40.91 2dad s TYR 50 CO 0.02 -0.13 1.73 0.38 -1.11 0.00 0.00 175.55 176.44 2dad h ASP 51 N 6.88 0.00 -3.23 2.29 2.03 -1.73 0.25 116.42 122.92 2dad h ASP 51 Ca -0.31 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.35 2dad h ASP 51 Cb 1.19 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.58 2dad h ASP 51 CO 0.61 0.00 -0.65 -0.83 -1.03 0.00 0.00 179.24 177.34 2dad s GLY 52 N -3.60 1.89 0.62 7.15 0.00 -1.08 -4.33 107.32 107.96 2dad s GLY 52 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 2dad s GLY 52 CO 0.30 -1.14 1.10 -0.54 0.00 0.00 0.00 173.10 172.81 2dad s GLU 53 N -2.46 3.06 -1.02 2.90 2.02 -1.26 -2.93 118.70 118.99 2dad s GLU 53 Ca 0.27 1.37 -0.02 0.00 0.02 0.00 0.00 54.97 56.60 2dad s GLU 53 Cb -0.11 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2dad s GLU 53 CO 0.19 -1.04 0.30 0.09 0.02 0.00 0.00 175.26 174.82 2dad n ASN 54 N -2.11 -4.39 -3.75 -0.19 3.02 -1.17 -2.84 115.26 103.82 2dad n ASN 54 Ca 0.10 -0.14 -0.25 0.00 -0.03 0.00 0.00 54.58 54.25 2dad n ASN 54 Cb 0.52 -3.34 0.04 0.00 -0.61 0.00 0.00 39.78 36.40 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 -4.04 -2.26 -3.78 3.10 3.01 -1.23 -4.99 117.46 107.27 2dad n PHE 55 Ca -0.09 0.91 -0.25 0.00 1.01 0.00 0.00 57.45 59.03 2dad n PHE 55 Cb 0.59 -4.39 -0.01 0.00 -0.01 0.00 0.00 39.48 35.66 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 -3.43 1.88 0.00 4.37 -4.23 -1.13 -5.02 115.64 108.08 2dad s THR 56 Ca 0.38 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2dad s THR 56 Cb -0.18 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2dad s THR 56 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 2dad n GLY 57 N -1.75 0.45 3.82 3.99 0.00 -1.26 -2.64 105.19 107.80 2dad n GLY 57 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 2.79 -0.10 1.61 0.01 -1.26 -4.93 114.94 109.06 2dad s ASN 58 Ca 0.00 0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 52.61 2dad s ASN 58 Cb 0.00 -0.78 0.03 0.00 0.41 0.00 0.00 41.25 40.91 2dad s ASN 58 CO 0.00 -2.96 0.25 0.00 -1.51 0.00 0.00 177.10 172.89 2dad s GLN 59 N -5.62 0.28 -0.18 -0.60 -2.07 -1.26 -3.69 119.66 106.51 2dad s GLN 59 Ca 0.70 0.40 -0.03 0.00 -1.82 0.00 0.00 55.36 54.61 2dad s GLN 59 Cb -0.08 0.08 0.06 0.00 -1.09 0.00 0.00 33.01 31.98 2dad s GLN 59 CO 0.53 -0.06 0.03 0.71 -1.32 0.00 0.00 175.29 175.18 2dad s TYR 60 N 0.39 1.02 0.72 9.60 1.51 -0.43 -4.93 117.35 125.23 2dad s TYR 60 Ca -0.02 -0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 55.12 2dad s TYR 60 Cb -0.04 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2dad s TYR 60 CO -0.02 -0.59 1.07 0.14 -1.11 0.00 0.00 175.55 175.05 2dad s VAL 61 N 1.86 3.77 -0.04 0.71 -7.23 -1.26 -1.58 120.40 116.63 2dad s VAL 61 Ca -0.00 0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 60.72 2dad s VAL 61 Cb -0.17 -3.36 0.03 0.00 0.56 0.00 0.00 36.38 33.45 2dad s VAL 61 CO -0.08 -0.75 0.07 -0.76 -0.31 0.00 0.00 175.10 173.27 2dad s LEU 62 N -5.57 0.40 0.64 1.32 1.43 -0.52 -4.93 118.68 111.45 2dad s LEU 62 Ca 0.59 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2dad s LEU 62 Cb -0.14 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 2dad s LEU 62 CO 0.54 -0.21 1.04 -1.61 0.23 0.00 0.00 176.35 176.35 2dad s GLU 63 N 1.84 3.26 -0.14 1.70 2.02 -1.26 -2.61 118.70 123.51 2dad s GLU 63 Ca 0.00 0.96 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 2dad s GLU 63 Cb -0.12 -2.03 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 2dad s GLU 63 CO -0.03 -0.84 2.08 -2.00 0.02 0.00 0.00 175.26 174.49 2dad s GLU 64 N -4.77 3.51 0.00 1.61 2.12 -1.26 -4.59 118.70 115.32 2dad s GLU 64 Ca 0.59 2.18 0.00 0.00 0.36 0.00 0.00 54.97 58.10 2dad s GLU 64 Cb -0.13 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2dad s GLU 64 CO 0.49 -1.66 0.00 0.41 -0.54 0.00 0.00 175.26 173.95 2dad n GLY 65 N 5.27 -1.48 3.31 -1.50 0.00 -1.11 -4.98 105.19 104.69 2dad n GLY 65 Ca 0.26 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2dad n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 66 N -2.48 3.21 -0.51 1.61 3.76 -1.26 -1.86 115.29 117.77 2dad s HIS 66 Ca 0.00 -1.20 -0.15 0.00 -0.15 0.00 0.00 55.06 53.55 2dad s HIS 66 Cb 0.00 -2.29 0.11 0.00 1.11 0.00 0.00 32.58 31.51 2dad s HIS 66 CO 0.00 -0.66 0.44 0.71 -0.85 0.00 0.00 174.74 174.38 2dad s TYR 67 N 1.46 3.26 0.26 1.40 2.02 0.33 -4.92 117.35 121.16 2dad s TYR 67 Ca 0.00 -1.21 0.04 0.00 -0.37 0.00 0.00 57.07 55.54 2dad s TYR 67 Cb -0.19 -3.52 0.35 0.00 -0.40 0.00 0.00 41.96 38.20 2dad s TYR 67 CO 0.03 -0.93 1.64 -1.00 -1.57 0.00 0.00 175.55 173.72 2dad h PRO 68 N 8.79 0.32 -4.74 -1.71 0.13 -1.91 -1.44 132.00 131.44 2dad h PRO 68 Ca -0.29 -0.17 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 2dad h PRO 68 Cb 1.10 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 0.96 0.71 -0.59 0.00 -0.23 0.00 0.00 178.00 178.85 2dad h LEU 70 N 2.44 0.40 -0.91 0.00 3.38 -1.54 -3.26 115.31 115.81 2dad h LEU 70 Ca -0.35 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 57.20 2dad h LEU 70 Cb 1.25 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 2dad h LEU 70 CO 0.53 0.89 -0.37 -1.28 0.09 0.00 0.00 178.44 178.30 2dad h SER 71 N -0.08 -1.34 -0.79 -0.43 0.87 -1.89 1.08 113.55 110.97 2dad h SER 71 Ca 0.00 0.29 0.11 0.00 -1.23 0.00 0.00 61.79 60.96 2dad h SER 71 Cb 0.83 0.71 -0.06 0.00 -0.44 0.00 0.00 62.40 63.45 2dad h SER 71 CO 0.05 -0.29 0.52 0.00 -0.53 0.00 0.00 176.83 176.58 2dad h ALA 72 N 1.34 1.81 0.00 6.23 0.00 -1.93 0.40 119.26 127.11 2dad h ALA 72 Ca 0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2dad h ALA 72 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dad h ALA 72 CO -0.93 0.02 -0.47 0.52 0.00 0.00 0.00 179.25 178.39 2dad h MET 73 N 0.68 0.00 0.00 0.00 2.07 0.94 -3.48 114.93 115.15 2dad h MET 73 Ca 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.00 2dad h MET 73 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2dad h MET 73 CO -0.14 0.47 0.00 0.41 1.07 0.00 0.00 176.91 178.72 2dad n GLY 74 N 0.74 2.46 3.57 8.32 0.00 0.11 -5.03 105.19 115.36 2dad n GLY 74 Ca 0.01 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.19 0.37 0.00 0.00 0.04 -1.26 -4.22 135.00 127.75 2dad s PRO 76 Ca 0.68 0.51 0.11 0.00 0.04 0.00 0.00 61.00 62.33 2dad s PRO 76 Cb -0.50 -1.73 0.63 0.00 0.04 0.00 0.00 34.50 32.94 2dad s PRO 76 CO 0.54 -2.77 1.07 -0.35 0.04 0.00 0.00 177.00 175.53 2dad n PRO 77 N -4.20 0.49 -2.88 0.56 -0.04 -1.26 -3.28 135.00 124.39 2dad n PRO 77 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 2dad n PRO 77 Cb 0.57 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 2.41 3.31 0.55 0.00 -1.26 -5.08 105.19 105.09 2dad n GLY 78 Ca 0.08 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.84 2.46 -0.26 4.61 0.00 -1.21 -5.10 121.76 119.43 2dad s ALA 79 Ca 0.33 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2dad s ALA 79 Cb 0.41 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.53 2dad s ALA 79 CO -0.01 0.25 -0.01 0.99 0.00 0.00 0.00 175.76 176.98 2dad s THR 80 N 0.36 1.41 0.25 0.00 2.01 -1.26 -4.57 115.64 113.83 2dad s THR 80 Ca -0.14 -1.31 -0.31 0.00 0.31 0.00 0.00 61.69 60.24 2dad s THR 80 Cb -0.17 -1.80 -0.11 0.00 0.01 0.00 0.00 72.50 70.43 2dad s THR 80 CO 0.07 -0.27 1.58 -0.36 -0.69 0.00 0.00 174.62 174.95 2dad s PHE 81 N 1.42 2.89 -0.01 4.92 0.08 -1.26 -4.29 117.98 121.73 2dad s PHE 81 Ca -0.01 0.73 0.02 0.00 0.12 0.00 0.00 56.93 57.80 2dad s PHE 81 Cb -0.18 -4.00 -0.04 0.00 -0.57 0.00 0.00 43.02 38.23 2dad s PHE 81 CO -0.10 -3.48 0.03 1.63 -0.10 0.00 0.00 175.22 173.21 2dad n LYS 82 N 2.83 1.80 -3.77 0.44 5.02 0.85 -4.77 118.16 120.56 2dad n LYS 82 Ca 0.10 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 2dad n LYS 82 Cb 0.38 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.79 -0.17 0.28 4.39 1.04 -0.97 -2.56 113.70 112.92 2dad s SER 83 Ca -0.01 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.57 2dad s SER 83 Cb 0.01 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 2dad s SER 83 CO 0.10 -0.45 -0.15 -0.76 0.98 0.00 0.00 173.24 172.96 2dad s LEU 84 N -1.36 2.60 -0.28 2.42 1.43 0.20 -0.97 118.68 122.72 2dad s LEU 84 Ca -0.13 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 51.87 2dad s LEU 84 Cb -0.05 -0.94 0.17 0.00 0.03 0.00 0.00 46.19 45.39 2dad s LEU 84 CO 0.04 -0.09 0.52 -0.60 0.23 0.00 0.00 176.35 176.45 2dad s ARG 85 N -3.58 0.49 0.06 1.70 3.52 -0.54 -2.72 118.95 117.88 2dad s ARG 85 Ca 0.29 0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 56.42 2dad s ARG 85 Cb -0.02 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 2dad s ARG 85 CO 0.13 -0.63 1.44 0.12 -0.81 0.00 0.00 175.30 175.55 2dad s PHE 86 N 2.75 2.94 -0.02 5.12 5.36 -1.26 -1.78 117.98 131.09 2dad s PHE 86 Ca 0.18 0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 2dad s PHE 86 Cb -0.15 -3.72 -0.00 0.00 -0.34 0.00 0.00 43.02 38.80 2dad s PHE 86 CO -0.19 -2.66 -0.02 0.82 -1.46 0.00 0.00 175.22 171.71 2dad h ILE 87 N 4.62 0.00 -2.09 3.12 2.04 -1.92 -3.49 117.51 119.80 2dad h ILE 87 Ca -0.40 -0.13 0.20 0.00 1.00 0.00 0.00 64.86 65.52 2dad h ILE 87 Cb 1.19 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 2dad h ILE 87 CO 0.89 0.00 0.58 -0.55 0.00 0.00 0.00 178.15 179.07 2dad s SER 88 N -3.70 -0.19 0.45 1.72 0.15 -1.26 -4.99 113.70 105.87 2dad s SER 88 Ca -0.02 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2dad s SER 88 Cb 0.00 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2dad s SER 88 CO 0.02 -0.67 0.23 0.61 1.20 0.00 0.00 173.24 174.63 2dad n GLY 89 N -0.39 0.80 0.00 9.45 0.00 -1.26 -1.06 105.19 112.73 2dad n GLY 89 Ca -0.07 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.42 0.43 -4.10 1.61 -0.04 -1.26 -4.71 135.00 125.51 2dad n PRO 90 Ca 0.04 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 2dad n PRO 90 Cb 0.14 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.12 5.59 -0.13 3.54 1.04 -1.26 -5.11 113.70 115.25 2dad s SER 91 Ca 0.21 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.74 2dad s SER 91 Cb 0.11 -1.56 0.02 0.00 0.10 0.00 0.00 66.02 64.68 2dad s SER 91 CO 0.19 0.24 -0.15 -0.44 0.98 0.00 0.00 173.24 174.06 2dad s SER 92 N -1.95 2.61 0.00 7.02 0.01 -1.26 -5.06 113.70 115.06 2dad s SER 92 Ca 0.25 -0.47 0.31 0.00 1.31 0.00 0.00 55.95 57.35 2dad s SER 92 Cb -0.12 -1.16 1.85 0.00 0.21 0.00 0.00 66.02 66.81 2dad s SER 92 CO 0.17 -0.02 2.18 0.61 0.41 0.00 0.00 173.24 176.59