#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad n SER 2 N 0.00 -4.55 -4.77 1.61 3.41 -1.26 -4.92 113.62 103.15 2dad n SER 2 Ca 0.00 -0.82 -0.34 0.00 -0.26 0.00 0.00 58.87 57.45 2dad n SER 2 Cb 0.00 -3.67 0.04 0.00 -0.26 0.00 0.00 64.21 60.32 2dad n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dad s SER 3 N -3.30 5.23 0.00 4.04 0.01 -1.26 -4.69 113.70 113.72 2dad s SER 3 Ca 0.68 2.09 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2dad s SER 3 Cb -0.35 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2dad s SER 3 CO 0.85 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2dad n GLY 4 N -0.23 0.79 0.33 3.44 0.00 -1.26 -5.07 105.19 103.18 2dad n GLY 4 Ca 0.11 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2dad n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dad h SER 5 N 0.00 -0.66 -5.00 1.61 0.87 -1.98 -3.48 113.55 104.90 2dad h SER 5 Ca 0.00 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2dad h SER 5 Cb 0.00 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.05 2dad h SER 5 CO 0.00 -0.30 0.22 -0.44 -0.53 0.00 0.00 176.83 175.78 2dad s SER 6 N -4.65 -0.41 0.10 6.23 0.01 -1.26 -5.16 113.70 108.56 2dad s SER 6 Ca -0.14 -0.32 -0.12 0.00 1.31 0.00 0.00 55.95 56.68 2dad s SER 6 Cb 0.02 0.67 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 2dad s SER 6 CO 0.48 -1.17 0.47 -0.83 0.41 0.00 0.00 173.24 172.61 2dad s GLY 7 N -2.84 2.41 -0.23 3.44 0.00 -1.14 -4.31 107.32 104.66 2dad s GLY 7 Ca 0.06 -0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 2dad s GLY 7 CO -0.03 0.01 0.59 1.62 0.00 0.00 0.00 173.10 175.29 2dad s GLN 8 N -1.87 0.66 -0.01 2.90 0.74 0.44 -4.74 119.66 117.78 2dad s GLN 8 Ca 0.35 0.88 0.06 0.00 0.05 0.00 0.00 55.36 56.69 2dad s GLN 8 Cb -0.15 0.27 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 2dad s GLN 8 CO 0.18 -0.10 -0.19 -1.50 -0.55 0.00 0.00 175.29 173.13 2dad s ILE 9 N 0.63 2.69 -0.24 -2.34 2.07 -0.94 -1.99 121.20 121.09 2dad s ILE 9 Ca -0.03 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 2dad s ILE 9 Cb -0.05 -2.05 0.06 0.00 0.13 0.00 0.00 42.46 40.55 2dad s ILE 9 CO -0.04 0.50 -0.03 -2.28 -1.91 0.00 0.00 174.94 171.18 2dad s HIS 10 N -0.76 2.28 0.16 3.50 2.46 0.61 -0.32 115.29 123.21 2dad s HIS 10 Ca 0.12 -1.71 -0.01 0.00 0.47 0.00 0.00 55.06 53.93 2dad s HIS 10 Cb -0.10 -1.58 -0.05 0.00 -0.13 0.00 0.00 32.58 30.72 2dad s HIS 10 CO 0.02 -0.77 0.35 -0.51 -2.47 0.00 0.00 174.74 171.35 2dad s LEU 11 N 1.43 4.27 -0.12 8.88 2.01 0.11 0.90 118.68 136.17 2dad s LEU 11 Ca -0.04 0.41 -0.02 0.00 0.01 0.00 0.00 54.13 54.49 2dad s LEU 11 Cb -0.19 -3.15 0.04 0.00 0.01 0.00 0.00 46.19 42.90 2dad s LEU 11 CO -0.07 0.03 0.01 -0.36 1.01 0.00 0.00 176.35 176.97 2dad s PHE 12 N -1.74 0.86 0.23 0.29 0.40 -0.29 -0.61 117.98 117.12 2dad s PHE 12 Ca 0.38 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 2dad s PHE 12 Cb -0.12 -0.92 0.32 0.00 0.51 0.00 0.00 43.02 42.82 2dad s PHE 12 CO 0.28 -0.45 1.61 1.03 0.70 0.00 0.00 175.22 178.39 2dad h SER 13 N 8.29 -0.61 -2.62 1.36 0.87 -1.23 -2.77 113.55 116.84 2dad h SER 13 Ca -0.19 0.21 -0.50 0.00 -1.23 0.00 0.00 61.79 60.08 2dad h SER 13 Cb 1.12 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 2dad h SER 13 CO 0.30 -0.23 -0.35 -1.61 -0.53 0.00 0.00 176.83 174.41 2dad s GLU 14 N -6.21 3.48 0.92 2.24 0.41 -1.06 -3.05 118.70 115.42 2dad s GLU 14 Ca -0.14 -0.49 -0.12 0.00 -0.41 0.00 0.00 54.97 53.81 2dad s GLU 14 Cb 0.21 -2.83 0.14 0.00 -1.78 0.00 0.00 34.13 29.87 2dad s GLU 14 CO 0.75 0.37 1.09 -1.25 -0.49 0.00 0.00 175.26 175.73 2dad s PRO 15 N -3.69 1.06 -1.50 0.39 0.04 -1.26 -3.21 135.00 126.84 2dad s PRO 15 Ca 0.37 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2dad s PRO 15 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dad s PRO 15 CO 0.30 -2.36 0.20 1.04 0.04 0.00 0.00 177.00 176.23 2dad n GLN 16 N -3.95 -2.54 -3.91 4.56 6.02 -0.51 -2.30 117.38 114.75 2dad n GLN 16 Ca 0.07 0.86 -0.28 0.00 -0.01 0.00 0.00 57.00 57.63 2dad n GLN 16 Cb 0.56 -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 -4.15 -2.08 -4.50 1.08 3.72 -1.25 -4.97 117.46 105.30 2dad n PHE 17 Ca -0.17 0.86 -0.31 0.00 -0.05 0.00 0.00 57.45 57.78 2dad n PHE 17 Cb 0.64 -3.93 -0.06 0.00 -0.94 0.00 0.00 39.48 35.20 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 -6.50 2.21 3.57 -1.08 -1.52 -0.97 -5.05 119.66 110.32 2dad s GLN 18 Ca 0.45 -2.29 0.00 0.00 -1.95 0.00 0.00 55.36 51.57 2dad s GLN 18 Cb -0.23 -1.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.86 2dad s GLN 18 CO 0.84 -0.43 0.00 0.41 -0.25 0.00 0.00 175.29 175.86 2dad n GLY 19 N -1.41 0.70 3.70 3.09 0.00 -1.26 -2.57 105.19 107.43 2dad n GLY 19 Ca -0.14 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 2dad n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dad n HIS 20 N 0.00 1.48 -3.93 1.61 8.25 -1.26 -4.82 115.22 116.55 2dad n HIS 20 Ca 0.00 0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 57.74 2dad n HIS 20 Cb 0.00 -2.17 -0.14 0.00 1.12 0.00 0.00 29.99 28.80 2dad n HIS 20 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2dad s SER 21 N -1.77 0.13 -0.07 0.41 1.04 -1.26 -1.05 113.70 111.13 2dad s SER 21 Ca 0.77 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.15 2dad s SER 21 Cb -0.33 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 65.81 2dad s SER 21 CO 0.46 0.01 0.12 -1.10 0.98 0.00 0.00 173.24 173.72 2dad s GLN 22 N 0.02 -0.01 -0.02 4.02 -1.52 0.21 -4.99 119.66 117.38 2dad s GLN 22 Ca 0.00 0.50 0.01 0.00 -1.95 0.00 0.00 55.36 53.92 2dad s GLN 22 Cb -0.01 -0.36 -0.03 0.00 -0.22 0.00 0.00 33.01 32.38 2dad s GLN 22 CO -0.00 -0.32 -0.02 -1.54 -0.25 0.00 0.00 175.29 173.16 2dad s SER 23 N 2.25 4.96 -0.24 5.90 1.04 -1.26 0.09 113.70 126.43 2dad s SER 23 Ca 0.04 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.44 2dad s SER 23 Cb -0.12 -1.27 0.07 0.00 0.10 0.00 0.00 66.02 64.80 2dad s SER 23 CO -0.05 0.30 -0.00 -0.36 0.98 0.00 0.00 173.24 174.11 2dad s PHE 24 N -1.01 2.01 0.19 5.02 0.40 0.56 -4.99 117.98 120.16 2dad s PHE 24 Ca 0.17 -1.59 0.01 0.00 -0.60 0.00 0.00 56.93 54.92 2dad s PHE 24 Cb -0.11 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 41.98 2dad s PHE 24 CO 0.08 -0.76 1.45 0.93 0.70 0.00 0.00 175.22 177.62 2dad h GLU 25 N 8.03 0.31 -5.76 0.44 5.08 -1.86 -2.49 114.58 118.34 2dad h GLU 25 Ca -0.16 -0.26 -0.60 0.00 -1.00 0.00 0.00 59.36 57.34 2dad h GLU 25 Cb 1.07 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.29 2dad h GLU 25 CO 0.41 0.91 -0.49 -1.83 -1.00 0.00 0.00 179.01 177.01 2dad s GLU 26 N -3.56 2.19 0.46 2.33 1.03 -1.26 -4.57 118.70 115.31 2dad s GLU 26 Ca -0.05 -2.00 -0.24 0.00 0.03 0.00 0.00 54.97 52.71 2dad s GLU 26 Cb 0.11 -1.88 -0.09 0.00 -0.80 0.00 0.00 34.13 31.47 2dad s GLU 26 CO 0.83 -0.22 1.25 2.41 -1.33 0.00 0.00 175.26 178.20 2dad n THR 27 N -1.28 2.84 -4.47 1.83 -1.04 -1.26 -4.87 114.28 106.03 2dad n THR 27 Ca -0.05 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.19 2dad n THR 27 Cb 0.65 -1.54 -0.13 0.00 -1.82 0.00 0.00 70.33 67.49 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 -1.24 2.04 -0.05 12.58 2.01 -1.05 -4.99 115.64 124.93 2dad s THR 28 Ca 0.64 -1.59 0.04 0.00 0.31 0.00 0.00 61.69 61.09 2dad s THR 28 Cb -0.49 -1.80 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 2dad s THR 28 CO 0.56 0.11 0.01 -1.54 -0.69 0.00 0.00 174.62 173.06 2dad n SER 29 N 1.19 3.71 -3.70 3.53 3.41 -1.26 -0.23 113.62 120.27 2dad n SER 29 Ca -0.18 -0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.22 2dad n SER 29 Cb 0.53 0.54 -0.18 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.12 0.11 0.40 4.33 0.74 -1.15 -3.75 119.66 118.22 2dad s GLN 30 Ca -0.03 0.30 -0.25 0.00 0.05 0.00 0.00 55.36 55.43 2dad s GLN 30 Cb 0.02 -0.64 -0.08 0.00 1.10 0.00 0.00 33.01 33.41 2dad s GLN 30 CO 0.20 -0.32 1.13 0.42 -0.55 0.00 0.00 175.29 176.18 2dad s ILE 31 N 2.10 3.31 -0.61 -2.34 -1.09 0.96 -4.87 121.20 118.65 2dad s ILE 31 Ca 0.05 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.23 2dad s ILE 31 Cb -0.12 -3.58 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 2dad s ILE 31 CO -0.04 0.06 2.46 0.47 -1.23 0.00 0.00 174.94 176.66 2dad n ASP 32 N -0.01 1.67 -2.68 3.58 9.92 -1.26 -0.62 116.55 127.15 2dad n ASP 32 Ca 0.05 -0.10 -0.19 0.00 -0.53 0.00 0.00 54.79 54.02 2dad n ASP 32 Cb 0.47 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 12.95 -5.24 -3.35 -2.24 -0.08 -1.26 -1.48 116.55 115.85 2dad n ASP 33 Ca 0.47 -0.08 -0.22 0.00 -1.51 0.00 0.00 54.79 53.45 2dad n ASP 33 Cb 0.32 -4.33 -0.02 0.00 2.34 0.00 0.00 41.12 39.43 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2dad n SER 34 N -2.13 -2.88 -4.62 1.67 3.41 0.21 -4.78 113.62 104.51 2dad n SER 34 Ca -0.16 -0.34 -0.48 0.00 -0.26 0.00 0.00 58.87 57.63 2dad n SER 34 Cb 0.64 -2.44 -0.05 0.00 -0.26 0.00 0.00 64.21 62.10 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 -3.65 2.13 -0.72 7.33 1.16 -0.55 -4.83 117.46 118.33 2dad n PHE 35 Ca 0.00 0.02 -0.32 0.00 -1.87 0.00 0.00 57.45 55.28 2dad n PHE 35 Cb 0.52 -2.65 0.15 0.00 -1.61 0.00 0.00 39.48 35.89 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 8.23 -2.00 -3.69 5.98 2.88 -1.26 -4.69 113.62 119.06 2dad n SER 36 Ca 0.28 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.86 2dad n SER 36 Cb 0.31 -1.14 -0.11 0.00 -0.75 0.00 0.00 64.21 62.52 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 -2.36 -0.22 -0.17 2.46 2.01 -1.24 -4.02 115.64 112.10 2dad s THR 37 Ca 0.58 0.14 0.17 0.00 0.31 0.00 0.00 61.69 62.90 2dad s THR 37 Cb -0.18 -0.56 -0.25 0.00 0.01 0.00 0.00 72.50 71.51 2dad s THR 37 CO 0.66 0.06 0.17 0.29 -0.69 0.00 0.00 174.62 175.12 2dad n LYS 38 N 4.66 0.68 -4.22 4.92 5.02 -1.05 -4.65 118.16 123.52 2dad n LYS 38 Ca -0.18 0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 55.97 2dad n LYS 38 Cb 0.53 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -5.54 1.80 0.22 4.39 1.04 -1.21 -1.43 113.70 112.98 2dad s SER 39 Ca -0.09 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.43 2dad s SER 39 Cb 0.07 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 2dad s SER 39 CO 0.83 -0.20 0.33 0.00 0.98 0.00 0.00 173.24 175.19 2dad s ARG 41 N -4.07 0.02 -0.12 0.00 3.52 0.26 -1.87 118.95 116.69 2dad s ARG 41 Ca 0.28 0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 56.03 2dad s ARG 41 Cb 0.02 -1.07 -0.04 0.00 -1.56 0.00 0.00 34.95 32.30 2dad s ARG 41 CO 0.10 -0.50 0.11 0.08 -0.81 0.00 0.00 175.30 174.28 2dad s VAL 42 N 2.19 5.23 -0.28 7.11 1.01 -1.22 -0.28 120.40 134.17 2dad s VAL 42 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2dad s VAL 42 Cb -0.14 -3.28 0.16 0.00 0.00 0.00 0.00 36.38 33.12 2dad s VAL 42 CO -0.07 0.59 0.52 -0.55 0.00 0.00 0.00 175.10 175.60 2dad s SER 43 N -0.80 -0.79 0.00 3.32 0.15 -0.84 -2.91 113.70 111.82 2dad s SER 43 Ca 0.13 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2dad s SER 43 Cb -0.12 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 2dad s SER 43 CO 0.03 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dad n GLY 44 N 5.41 0.78 0.00 9.45 0.00 -1.26 -0.42 105.19 119.14 2dad n GLY 44 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.49 2.51 3.89 -0.02 0.00 -1.26 -2.90 105.19 106.93 2dad n GLY 45 Ca 0.00 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 5.32 -0.02 1.61 0.01 -1.03 -4.71 113.70 114.87 2dad s SER 46 Ca 0.00 1.02 -0.00 0.00 1.31 0.00 0.00 55.95 58.28 2dad s SER 46 Cb 0.00 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2dad s SER 46 CO 0.00 -1.40 0.03 0.26 0.41 0.00 0.00 173.24 172.54 2dad s TRP 47 N -3.35 0.05 -0.22 2.43 0.52 -1.09 0.15 118.94 117.43 2dad s TRP 47 Ca 0.58 0.12 -0.15 0.00 0.02 0.00 0.00 56.10 56.67 2dad s TRP 47 Cb -0.11 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.92 2dad s TRP 47 CO 0.51 -0.09 0.38 0.08 0.02 0.00 0.00 176.95 177.84 2dad s VAL 48 N 1.10 5.20 -0.28 4.03 1.01 0.05 -0.71 120.40 130.79 2dad s VAL 48 Ca -0.09 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2dad s VAL 48 Cb -0.13 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2dad s VAL 48 CO -0.03 0.23 0.01 0.68 0.00 0.00 0.00 175.10 175.99 2dad s VAL 49 N 1.50 3.33 -0.05 2.92 -7.23 0.70 -1.15 120.40 120.42 2dad s VAL 49 Ca 0.17 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2dad s VAL 49 Cb -0.15 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2dad s VAL 49 CO 0.08 0.07 0.13 -0.31 -0.31 0.00 0.00 175.10 174.76 2dad s TYR 50 N 1.37 3.46 -1.09 2.82 1.51 -0.75 -1.85 117.35 122.83 2dad s TYR 50 Ca -0.00 0.35 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 2dad s TYR 50 Cb -0.18 -1.83 0.27 0.00 -0.11 0.00 0.00 41.96 40.11 2dad s TYR 50 CO -0.01 0.63 1.00 -0.40 -1.11 0.00 0.00 175.55 175.66 2dad n ASP 51 N 1.40 2.27 -3.93 2.29 5.75 -1.21 -0.45 116.55 122.68 2dad n ASP 51 Ca -0.15 -2.23 -0.10 0.00 -0.01 0.00 0.00 54.79 52.30 2dad n ASP 51 Cb 0.53 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.47 0.15 0.60 6.12 0.00 -1.17 -4.73 107.32 107.81 2dad s GLY 52 Ca 0.18 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.32 2dad s GLY 52 CO 0.07 -0.51 1.19 -0.54 0.00 0.00 0.00 173.10 173.31 2dad s GLU 53 N -1.68 2.96 -1.38 2.90 2.02 -1.26 -2.89 118.70 119.36 2dad s GLU 53 Ca -0.13 1.77 -0.04 0.00 0.02 0.00 0.00 54.97 56.59 2dad s GLU 53 Cb -0.07 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2dad s GLU 53 CO -0.01 -1.20 0.54 0.09 0.02 0.00 0.00 175.26 174.70 2dad n ASN 54 N -1.67 -5.62 -3.88 -0.19 3.02 -1.25 -2.26 115.26 103.42 2dad n ASN 54 Ca 0.13 -0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.14 2dad n ASN 54 Cb 0.50 -4.45 0.03 0.00 -0.61 0.00 0.00 39.78 35.25 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 -4.38 -2.25 -2.90 3.10 3.72 -1.18 -4.97 117.46 108.60 2dad n PHE 55 Ca -0.10 0.90 -0.19 0.00 -0.05 0.00 0.00 57.45 58.01 2dad n PHE 55 Cb 0.61 -4.06 0.04 0.00 -0.94 0.00 0.00 39.48 35.13 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 -3.36 2.67 0.00 4.37 -4.23 -0.96 -4.93 115.64 109.20 2dad s THR 56 Ca 0.56 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2dad s THR 56 Cb -0.28 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2dad s THR 56 CO 0.83 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 2dad n GLY 57 N -2.13 1.56 3.98 3.99 0.00 -1.26 -3.06 105.19 108.28 2dad n GLY 57 Ca 0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 5.86 -0.00 1.61 0.01 -1.26 -5.00 114.94 112.16 2dad s ASN 58 Ca 0.00 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.91 2dad s ASN 58 Cb 0.00 -1.11 -0.00 0.00 0.41 0.00 0.00 41.25 40.55 2dad s ASN 58 CO 0.00 -0.49 -0.04 0.00 -1.51 0.00 0.00 177.10 175.07 2dad s GLN 59 N -4.19 0.31 -0.07 -0.60 -2.07 -1.26 -3.29 119.66 108.49 2dad s GLN 59 Ca 0.46 -0.16 -0.02 0.00 -1.82 0.00 0.00 55.36 53.83 2dad s GLN 59 Cb -0.09 -0.28 0.03 0.00 -1.09 0.00 0.00 33.01 31.58 2dad s GLN 59 CO 0.31 0.08 0.03 0.71 -1.32 0.00 0.00 175.29 175.09 2dad s TYR 60 N -0.16 0.45 0.38 9.60 2.02 -0.77 -4.94 117.35 123.93 2dad s TYR 60 Ca 0.01 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.52 2dad s TYR 60 Cb -0.02 -0.69 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 2dad s TYR 60 CO -0.00 -0.29 0.80 0.14 -1.57 0.00 0.00 175.55 174.62 2dad s VAL 61 N 2.04 4.66 -0.11 0.71 -7.23 -1.26 -0.21 120.40 119.00 2dad s VAL 61 Ca 0.05 0.96 0.01 0.00 -1.81 0.00 0.00 61.98 61.18 2dad s VAL 61 Cb -0.12 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.19 2dad s VAL 61 CO -0.05 -0.34 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.54 2dad s LEU 62 N -3.34 1.45 1.00 1.32 1.43 0.11 -4.93 118.68 115.72 2dad s LEU 62 Ca 0.55 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 2dad s LEU 62 Cb -0.10 -0.94 0.20 0.00 0.03 0.00 0.00 46.19 45.38 2dad s LEU 62 CO 0.22 -0.06 1.22 -1.61 0.23 0.00 0.00 176.35 176.35 2dad s GLU 63 N 1.35 0.35 -0.17 1.70 0.41 -1.26 -2.67 118.70 118.41 2dad s GLU 63 Ca -0.01 -0.15 -0.29 0.00 -0.41 0.00 0.00 54.97 54.11 2dad s GLU 63 Cb -0.14 -1.79 -0.02 0.00 -1.78 0.00 0.00 34.13 30.41 2dad s GLU 63 CO -0.05 -2.65 1.36 -2.00 -0.49 0.00 0.00 175.26 171.42 2dad s GLU 64 N -5.63 4.14 0.00 1.61 -6.30 -1.26 -4.46 118.70 106.80 2dad s GLU 64 Ca 0.70 1.68 0.00 0.00 -2.50 0.00 0.00 54.97 54.85 2dad s GLU 64 Cb -0.08 -3.84 0.00 0.00 0.00 0.00 0.00 34.13 30.21 2dad s GLU 64 CO 0.54 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2dad n GLY 65 N 3.88 3.18 3.56 -1.50 0.00 -1.15 -4.99 105.19 108.17 2dad n GLY 65 Ca 0.15 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 2.65 -0.50 1.61 -3.43 -1.26 -3.38 115.29 108.98 2dad s HIS 66 Ca 0.00 0.26 -0.20 0.00 -0.80 0.00 0.00 55.06 54.32 2dad s HIS 66 Cb 0.00 -4.39 0.05 0.00 -1.43 0.00 0.00 32.58 26.81 2dad s HIS 66 CO 0.00 -1.54 0.65 0.71 -2.00 0.00 0.00 174.74 172.56 2dad s TYR 67 N 4.69 3.03 0.27 0.38 2.02 -0.78 -4.92 117.35 122.04 2dad s TYR 67 Ca 0.39 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.74 2dad s TYR 67 Cb -0.09 -3.53 0.38 0.00 -0.40 0.00 0.00 41.96 38.32 2dad s TYR 67 CO 0.23 -1.02 1.65 -1.00 -1.57 0.00 0.00 175.55 173.84 2dad h PRO 68 N 9.00 0.27 -4.77 -1.71 0.13 -1.91 -2.72 132.00 130.28 2dad h PRO 68 Ca -0.27 -0.14 -0.34 0.00 -0.87 0.00 0.00 66.00 64.38 2dad h PRO 68 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 0.96 0.68 -0.58 0.00 -0.23 0.00 0.00 178.00 178.82 2dad h LEU 70 N 2.39 0.48 -0.89 0.00 3.38 -1.57 -3.26 115.31 115.83 2dad h LEU 70 Ca -0.34 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.28 2dad h LEU 70 Cb 1.25 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 2dad h LEU 70 CO 0.51 0.88 -0.32 -0.24 0.09 0.00 0.00 178.44 179.36 2dad n SER 71 N -4.46 -0.52 -0.15 -0.43 2.88 -1.26 0.22 113.62 109.89 2dad n SER 71 Ca -0.06 1.55 0.05 0.00 -1.33 0.00 0.00 58.87 59.08 2dad n SER 71 Cb 0.41 -0.38 0.34 0.00 -0.75 0.00 0.00 64.21 63.83 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 1.34 1.65 0.00 -1.46 0.00 -1.92 -1.28 119.26 117.59 2dad h ALA 72 Ca 0.33 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2dad h ALA 72 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dad h ALA 72 CO -0.89 0.27 -0.73 0.52 0.00 0.00 0.00 179.25 178.41 2dad h MET 73 N 0.77 0.00 0.00 0.00 2.07 0.26 -3.48 114.93 114.55 2dad h MET 73 Ca 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.90 2dad h MET 73 Cb 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 2dad h MET 73 CO -0.08 0.73 0.00 0.41 1.07 0.00 0.00 176.91 179.05 2dad n GLY 74 N 0.67 2.25 3.50 8.32 0.00 0.16 -4.93 105.19 115.16 2dad n GLY 74 Ca -0.01 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.99 0.53 -0.30 0.00 0.04 -1.26 -4.22 135.00 126.80 2dad s PRO 76 Ca 0.67 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2dad s PRO 76 Cb -0.33 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2dad s PRO 76 CO 0.57 -2.67 1.67 -1.25 0.04 0.00 0.00 177.00 175.35 2dad s PRO 77 N -4.96 3.54 0.00 0.56 0.04 -1.26 -3.14 135.00 129.78 2dad s PRO 77 Ca 0.65 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2dad s PRO 77 Cb -0.19 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2dad s PRO 77 CO 0.58 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2dad n GLY 78 N 5.10 0.82 3.79 0.56 0.00 -1.26 -5.07 105.19 109.13 2dad n GLY 78 Ca 0.20 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.40 3.53 -0.28 4.61 0.00 -1.19 -5.06 121.76 120.98 2dad s ALA 79 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2dad s ALA 79 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 20.43 2dad s ALA 79 CO 0.00 0.32 -0.06 0.99 0.00 0.00 0.00 175.76 177.01 2dad s THR 80 N -0.94 2.35 0.30 0.00 2.01 -1.26 -3.67 115.64 114.42 2dad s THR 80 Ca 0.32 -1.70 -0.29 0.00 0.31 0.00 0.00 61.69 60.32 2dad s THR 80 Cb -0.20 -2.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.78 2dad s THR 80 CO 0.21 -0.14 1.14 -0.36 -0.69 0.00 0.00 174.62 174.78 2dad s PHE 81 N 1.10 3.45 -0.03 4.92 0.08 -1.26 -4.44 117.98 121.79 2dad s PHE 81 Ca -0.05 1.64 0.01 0.00 0.12 0.00 0.00 56.93 58.65 2dad s PHE 81 Cb -0.20 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 38.87 2dad s PHE 81 CO -0.05 -0.83 -0.01 1.63 -0.10 0.00 0.00 175.22 175.86 2dad n LYS 82 N 1.02 1.85 -4.13 0.44 5.02 0.40 -4.63 118.16 118.13 2dad n LYS 82 Ca -0.00 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2dad n LYS 82 Cb 0.44 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 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 -3.81 1.16 0.17 4.39 1.04 -1.18 -0.03 113.70 115.44 2dad s SER 83 Ca -0.03 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.97 2dad s SER 83 Cb 0.01 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2dad s SER 83 CO 0.09 -0.12 -0.19 -0.76 0.98 0.00 0.00 173.24 173.24 2dad s LEU 84 N -1.47 2.45 -0.23 2.42 1.43 0.68 -1.81 118.68 122.16 2dad s LEU 84 Ca -0.06 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2dad s LEU 84 Cb -0.09 -0.86 0.09 0.00 0.03 0.00 0.00 46.19 45.36 2dad s LEU 84 CO 0.01 -0.02 0.16 -0.60 0.23 0.00 0.00 176.35 176.13 2dad s ARG 85 N -2.84 0.16 -0.36 1.70 3.52 -0.30 -2.53 118.95 118.30 2dad s ARG 85 Ca 0.17 -0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 2dad s ARG 85 Cb -0.06 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 32.00 2dad s ARG 85 CO 0.07 -0.81 1.44 0.12 -0.81 0.00 0.00 175.30 175.31 2dad s PHE 86 N 2.21 2.39 -0.57 5.12 5.36 -1.26 -0.77 117.98 130.45 2dad s PHE 86 Ca 0.06 0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 56.52 2dad s PHE 86 Cb -0.16 -4.16 0.06 0.00 -0.34 0.00 0.00 43.02 38.43 2dad s PHE 86 CO -0.20 -2.10 0.81 0.42 -1.46 0.00 0.00 175.22 172.69 2dad s ILE 87 N 5.26 4.58 -0.44 3.12 1.01 0.12 -4.97 121.20 129.89 2dad s ILE 87 Ca 0.63 -0.28 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 2dad s ILE 87 Cb -0.16 -4.49 -0.07 0.00 0.01 0.00 0.00 42.46 37.75 2dad s ILE 87 CO 0.30 -1.10 2.37 -0.94 0.00 0.00 0.00 174.94 175.57 2dad s SER 88 N 3.09 4.63 -0.08 3.58 1.04 -1.26 -2.47 113.70 122.23 2dad s SER 88 Ca 0.21 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 2dad s SER 88 Cb -0.17 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2dad s SER 88 CO 0.13 -2.71 0.26 1.23 0.98 0.00 0.00 173.24 173.13 2dad h GLY 89 N 18.76 -0.21 -0.16 7.32 0.00 -1.92 -3.29 103.07 123.57 2dad h GLY 89 Ca -0.27 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2dad h GLY 89 CO 1.12 -0.08 0.00 -1.55 0.00 0.00 0.00 176.54 176.04 2dad n PRO 90 N -4.91 0.49 -1.64 4.80 -0.04 -1.26 -4.85 135.00 127.59 2dad n PRO 90 Ca -0.03 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.95 2dad n PRO 90 Cb 0.09 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2dad n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dad n SER 91 N -0.38 2.59 -0.07 3.54 3.41 -1.24 -4.91 113.62 116.56 2dad n SER 91 Ca 0.00 1.09 -0.11 0.00 -0.26 0.00 0.00 58.87 59.59 2dad n SER 91 Cb 0.02 -1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 62.55 2dad n SER 91 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dad h SER 92 N 5.53 0.00 0.00 4.04 0.87 -1.94 -3.52 113.55 118.53 2dad h SER 92 Ca -0.46 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 2dad h SER 92 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dad h SER 92 CO 0.85 0.93 0.00 0.61 -0.53 0.00 0.00 176.83 178.70