#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 -1.35 -3.08 1.61 4.64 -2.03 -3.38 113.55 109.96 2dad h SER 2 Ca 0.00 0.28 -0.55 0.00 -0.47 0.00 0.00 61.79 61.05 2dad h SER 2 Cb 0.00 0.70 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2dad h SER 2 CO 0.00 -0.29 0.70 -0.94 -0.87 0.00 0.00 176.83 175.43 2dad s SER 3 N -5.30 7.04 0.00 4.97 1.04 -1.26 -3.76 113.70 116.44 2dad s SER 3 Ca -0.14 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2dad s SER 3 Cb 0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2dad s SER 3 CO 0.71 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2dad n GLY 4 N 3.38 0.53 3.82 7.32 0.00 -1.26 -5.07 105.19 113.91 2dad n GLY 4 Ca 0.11 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2dad n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad s SER 5 N -2.37 6.58 -0.05 1.61 0.01 -1.25 -4.88 113.70 113.35 2dad s SER 5 Ca 0.00 1.72 0.01 0.00 1.31 0.00 0.00 55.95 58.99 2dad s SER 5 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2dad s SER 5 CO 0.00 -0.62 -0.04 -0.44 0.41 0.00 0.00 173.24 172.55 2dad s SER 6 N -2.49 1.05 -0.28 2.44 0.01 -1.26 -5.13 113.70 108.03 2dad s SER 6 Ca 0.62 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.48 2dad s SER 6 Cb -0.12 -0.47 0.18 0.00 0.21 0.00 0.00 66.02 65.83 2dad s SER 6 CO 0.23 -0.06 1.36 -0.83 0.41 0.00 0.00 173.24 174.35 2dad s GLY 7 N 1.00 0.19 -0.25 3.44 0.00 -1.13 -3.91 107.32 106.66 2dad s GLY 7 Ca -0.10 3.12 -0.19 0.00 0.00 0.00 0.00 44.72 47.55 2dad s GLY 7 CO -0.00 1.54 0.63 1.62 0.00 0.00 0.00 173.10 176.90 2dad s GLN 8 N -0.45 0.70 -0.07 2.90 0.74 0.33 -4.76 119.66 119.05 2dad s GLN 8 Ca 0.07 1.00 0.02 0.00 0.05 0.00 0.00 55.36 56.50 2dad s GLN 8 Cb -0.03 0.25 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 2dad s GLN 8 CO -0.11 -0.12 -0.13 -1.50 -0.55 0.00 0.00 175.29 172.88 2dad s ILE 9 N 0.90 3.10 -0.24 -2.34 2.07 -0.82 -2.22 121.20 121.65 2dad s ILE 9 Ca -0.04 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.52 2dad s ILE 9 Cb -0.05 -2.24 0.06 0.00 0.13 0.00 0.00 42.46 40.36 2dad s ILE 9 CO -0.08 0.57 -0.08 -2.28 -1.91 0.00 0.00 174.94 171.17 2dad s HIS 10 N -0.42 2.71 0.11 3.50 2.46 0.43 0.22 115.29 124.29 2dad s HIS 10 Ca 0.05 -1.95 -0.01 0.00 0.47 0.00 0.00 55.06 53.61 2dad s HIS 10 Cb -0.12 -1.71 -0.05 0.00 -0.13 0.00 0.00 32.58 30.57 2dad s HIS 10 CO 0.02 -0.81 0.29 -0.51 -2.47 0.00 0.00 174.74 171.26 2dad s LEU 11 N 1.29 4.31 -0.15 8.88 2.01 0.73 0.12 118.68 135.87 2dad s LEU 11 Ca -0.07 0.38 -0.02 0.00 0.01 0.00 0.00 54.13 54.44 2dad s LEU 11 Cb -0.19 -3.10 0.05 0.00 0.01 0.00 0.00 46.19 42.96 2dad s LEU 11 CO -0.06 0.10 0.01 -0.36 1.01 0.00 0.00 176.35 177.05 2dad s PHE 12 N -1.61 0.98 0.32 0.29 0.40 -0.22 -0.16 117.98 117.98 2dad s PHE 12 Ca 0.37 -0.64 0.10 0.00 -0.60 0.00 0.00 56.93 56.16 2dad s PHE 12 Cb -0.12 -0.98 0.96 0.00 0.51 0.00 0.00 43.02 43.39 2dad s PHE 12 CO 0.27 -0.51 1.63 1.03 0.70 0.00 0.00 175.22 178.34 2dad h SER 13 N 8.26 0.20 -2.60 1.36 0.87 0.17 -2.76 113.55 119.05 2dad h SER 13 Ca -0.19 0.21 -0.55 0.00 -1.23 0.00 0.00 61.79 60.04 2dad h SER 13 Cb 1.12 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 2dad h SER 13 CO 0.32 -0.21 -0.51 -1.61 -0.53 0.00 0.00 176.83 174.29 2dad s GLU 14 N -5.77 3.19 0.84 2.24 2.02 -1.03 -3.42 118.70 116.77 2dad s GLU 14 Ca -0.11 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 2dad s GLU 14 Cb 0.29 -2.81 0.09 0.00 0.10 0.00 0.00 34.13 31.80 2dad s GLU 14 CO 0.78 0.50 1.09 -1.25 0.02 0.00 0.00 175.26 176.40 2dad s PRO 15 N -3.21 1.74 -1.17 0.39 0.04 -1.26 -3.09 135.00 128.43 2dad s PRO 15 Ca 0.33 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2dad s PRO 15 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dad s PRO 15 CO 0.26 -1.95 0.17 1.04 0.04 0.00 0.00 177.00 176.56 2dad n GLN 16 N -3.71 -2.04 -3.84 4.56 6.02 -0.52 -2.77 117.38 115.09 2dad n GLN 16 Ca 0.08 0.67 -0.26 0.00 -0.01 0.00 0.00 57.00 57.48 2dad n GLN 16 Cb 0.54 -4.97 0.02 0.00 1.02 0.00 0.00 30.24 26.86 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 -4.06 -2.05 -4.71 1.08 3.72 -1.25 -4.98 117.46 105.22 2dad n PHE 17 Ca -0.14 0.86 -0.32 0.00 -0.05 0.00 0.00 57.45 57.80 2dad n PHE 17 Cb 0.61 -4.10 -0.07 0.00 -0.94 0.00 0.00 39.48 34.97 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 -6.35 2.19 3.04 -1.08 -0.21 -1.11 -5.05 119.66 111.09 2dad s GLN 18 Ca 0.31 -2.37 0.00 0.00 0.02 0.00 0.00 55.36 53.32 2dad s GLN 18 Cb -0.16 -1.57 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2dad s GLN 18 CO 0.83 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 2dad n GLY 19 N -1.28 0.62 3.72 3.09 0.00 -1.26 -2.47 105.19 107.60 2dad n GLY 19 Ca -0.18 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 2.62 -4.84 1.61 8.25 -1.26 -4.77 115.22 116.83 2dad n HIS 20 Ca 0.00 0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 57.50 2dad n HIS 20 Cb 0.00 -2.56 -0.16 0.00 1.12 0.00 0.00 29.99 28.39 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 0.49 2.13 -0.06 0.41 1.04 -1.26 0.72 113.70 117.17 2dad s SER 21 Ca 0.66 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 2dad s SER 21 Cb -0.55 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.13 2dad s SER 21 CO 0.47 0.17 0.11 -1.10 0.98 0.00 0.00 173.24 173.88 2dad s GLN 22 N -0.11 -0.01 0.02 4.02 -0.21 0.77 -4.99 119.66 119.14 2dad s GLN 22 Ca -0.00 0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.87 2dad s GLN 22 Cb -0.10 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.51 2dad s GLN 22 CO 0.01 -0.30 -0.03 -1.54 -2.12 0.00 0.00 175.29 171.31 2dad s SER 23 N 2.13 4.90 -0.12 5.90 1.04 -1.26 -0.19 113.70 126.10 2dad s SER 23 Ca 0.03 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dad s SER 23 Cb -0.12 -1.21 0.02 0.00 0.10 0.00 0.00 66.02 64.81 2dad s SER 23 CO -0.05 0.26 -0.11 -0.36 0.98 0.00 0.00 173.24 173.96 2dad s PHE 24 N -1.08 1.78 -0.04 5.02 0.40 0.13 -4.98 117.98 119.22 2dad s PHE 24 Ca 0.19 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.60 2dad s PHE 24 Cb -0.11 -1.36 -0.27 0.00 0.51 0.00 0.00 43.02 41.78 2dad s PHE 24 CO 0.10 -0.53 0.69 0.93 0.70 0.00 0.00 175.22 177.11 2dad h GLU 25 N 7.89 0.23 -6.09 0.44 5.08 -1.85 -2.17 114.58 118.10 2dad h GLU 25 Ca -0.33 -0.39 -0.52 0.00 -1.00 0.00 0.00 59.36 57.12 2dad h GLU 25 Cb 1.15 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2dad h GLU 25 CO 0.47 1.06 -0.39 -1.83 -1.00 0.00 0.00 179.01 177.32 2dad s GLU 26 N -2.60 2.43 0.26 2.33 1.03 -1.26 -4.71 118.70 116.18 2dad s GLU 26 Ca -0.12 -1.66 -0.31 0.00 0.03 0.00 0.00 54.97 52.91 2dad s GLU 26 Cb 0.07 -2.26 -0.12 0.00 -0.80 0.00 0.00 34.13 31.02 2dad s GLU 26 CO 0.83 -0.23 1.64 2.41 -1.33 0.00 0.00 175.26 178.58 2dad n THR 27 N -1.51 0.65 -4.37 1.83 -1.04 -1.26 -4.83 114.28 103.75 2dad n THR 27 Ca 0.02 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.05 61.57 2dad n THR 27 Cb 0.63 -1.96 -0.11 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.42 3.02 -0.08 12.58 2.01 -1.05 -4.96 115.64 127.58 2dad s THR 28 Ca 0.68 -1.33 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2dad s THR 28 Cb -0.50 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.55 2dad s THR 28 CO 0.43 0.17 0.01 -1.54 -0.69 0.00 0.00 174.62 173.00 2dad n SER 29 N 0.97 3.10 -3.99 3.53 3.41 -1.26 0.17 113.62 119.54 2dad n SER 29 Ca -0.15 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 2dad n SER 29 Cb 0.52 0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 64.94 2dad n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dad s GLN 30 N -2.19 0.48 0.05 4.33 0.00 -1.01 -3.71 119.66 117.61 2dad s GLN 30 Ca -0.05 -0.35 -0.07 0.00 -0.00 0.00 0.00 55.36 54.89 2dad s GLN 30 Cb 0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 33.01 32.57 2dad s GLN 30 CO 0.31 0.10 0.32 0.42 0.00 0.00 0.00 175.29 176.44 2dad s ILE 31 N -0.46 5.23 -0.59 3.63 -1.09 -0.59 -4.90 121.20 122.43 2dad s ILE 31 Ca -0.01 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2dad s ILE 31 Cb -0.04 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.11 2dad s ILE 31 CO -0.00 0.29 2.43 0.47 -1.23 0.00 0.00 174.94 176.90 2dad n ASP 32 N 0.87 1.73 -2.68 3.58 9.92 -1.26 -0.53 116.55 128.18 2dad n ASP 32 Ca -0.09 -0.05 -0.20 0.00 -0.53 0.00 0.00 54.79 53.92 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 12.70 -5.37 -3.47 -2.24 2.03 -1.26 -1.57 116.55 117.37 2dad n ASP 33 Ca 0.46 -0.09 -0.24 0.00 0.52 0.00 0.00 54.79 55.45 2dad n ASP 33 Cb 0.32 -4.44 -0.02 0.00 -0.72 0.00 0.00 41.12 36.26 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 -2.15 -2.90 -4.63 1.67 3.41 0.31 -4.78 113.62 104.55 2dad n SER 34 Ca -0.17 -0.43 -0.47 0.00 -0.26 0.00 0.00 58.87 57.55 2dad n SER 34 Cb 0.64 -2.44 -0.04 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 -3.73 2.21 -0.74 7.33 1.16 -0.61 -4.89 117.46 118.18 2dad n PHE 35 Ca 0.01 -0.06 -0.33 0.00 -1.87 0.00 0.00 57.45 55.21 2dad n PHE 35 Cb 0.52 -2.68 0.15 0.00 -1.61 0.00 0.00 39.48 35.85 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 8.13 -2.21 -3.63 5.98 7.64 -1.26 -4.75 113.62 123.50 2dad n SER 36 Ca 0.26 0.13 -0.14 0.00 1.01 0.00 0.00 58.87 60.12 2dad n SER 36 Cb 0.33 -1.10 -0.13 0.00 -1.01 0.00 0.00 64.21 62.30 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 -2.33 -0.40 -0.13 0.44 2.01 -1.26 -3.99 115.64 109.98 2dad s THR 37 Ca 0.57 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.79 2dad s THR 37 Cb -0.17 -0.47 -0.24 0.00 0.01 0.00 0.00 72.50 71.63 2dad s THR 37 CO 0.67 0.07 0.31 0.29 -0.69 0.00 0.00 174.62 175.27 2dad n LYS 38 N 5.35 0.72 -4.38 4.92 5.02 -1.05 -4.84 118.16 123.89 2dad n LYS 38 Ca -0.06 0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 2dad n LYS 38 Cb 0.50 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 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 -6.70 2.94 0.25 4.39 1.04 -1.19 -2.06 113.70 112.37 2dad s SER 39 Ca -0.21 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.21 2dad s SER 39 Cb 0.07 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2dad s SER 39 CO 0.76 -0.05 0.34 0.00 0.98 0.00 0.00 173.24 175.26 2dad s ARG 41 N -3.87 0.04 -0.14 0.00 3.00 0.31 -1.70 118.95 116.60 2dad s ARG 41 Ca 0.31 0.12 -0.07 0.00 -1.00 0.00 0.00 55.73 55.10 2dad s ARG 41 Cb 0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 34.95 33.63 2dad s ARG 41 CO 0.13 -0.56 0.10 0.08 0.00 0.00 0.00 175.30 175.06 2dad s VAL 42 N 2.19 5.18 -0.27 7.11 1.01 -0.97 -0.43 120.40 134.21 2dad s VAL 42 Ca 0.03 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2dad s VAL 42 Cb -0.15 -3.28 0.16 0.00 0.00 0.00 0.00 36.38 33.11 2dad s VAL 42 CO -0.08 0.55 0.50 -0.55 0.00 0.00 0.00 175.10 175.53 2dad s SER 43 N -0.49 -0.66 0.00 3.32 0.15 -0.94 -2.51 113.70 112.57 2dad s SER 43 Ca 0.11 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2dad s SER 43 Cb -0.12 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2dad s SER 43 CO 0.02 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dad n GLY 44 N 5.40 0.22 0.00 9.45 0.00 -1.26 -0.51 105.19 118.49 2dad n GLY 44 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.28 3.88 -0.02 0.00 -1.25 -2.84 105.19 105.76 2dad n GLY 45 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.68 5.61 -0.04 1.61 0.01 -0.93 -4.62 113.70 114.66 2dad s SER 46 Ca 0.00 1.16 -0.02 0.00 1.31 0.00 0.00 55.95 58.40 2dad s SER 46 Cb 0.00 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.24 2dad s SER 46 CO 0.00 -1.23 0.06 0.26 0.41 0.00 0.00 173.24 172.74 2dad s TRP 47 N -3.30 0.04 -0.18 2.43 0.52 -1.01 -0.01 118.94 117.43 2dad s TRP 47 Ca 0.57 0.25 -0.16 0.00 0.02 0.00 0.00 56.10 56.78 2dad s TRP 47 Cb -0.11 -0.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.76 2dad s TRP 47 CO 0.52 -0.17 0.39 0.08 0.02 0.00 0.00 176.95 177.79 2dad s VAL 48 N 1.90 5.22 -0.24 4.03 1.01 -0.85 -1.21 120.40 130.26 2dad s VAL 48 Ca 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2dad s VAL 48 Cb -0.12 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2dad s VAL 48 CO -0.03 0.29 -0.01 0.68 0.00 0.00 0.00 175.10 176.03 2dad s VAL 49 N 1.03 3.51 -0.18 2.92 -7.23 -0.56 -1.95 120.40 117.94 2dad s VAL 49 Ca 0.20 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 2dad s VAL 49 Cb -0.14 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2dad s VAL 49 CO 0.07 0.35 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.85 2dad s TYR 50 N 1.48 2.97 -1.76 2.82 1.51 -0.67 -2.20 117.35 121.50 2dad s TYR 50 Ca 0.05 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2dad s TYR 50 Cb -0.15 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2dad s TYR 50 CO -0.02 -0.24 0.76 -0.25 -1.11 0.00 0.00 175.55 174.69 2dad n ASP 51 N 4.00 0.21 -4.24 2.29 8.00 -1.24 0.11 116.55 125.67 2dad n ASP 51 Ca -0.18 -1.73 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 2dad n ASP 51 Cb 0.52 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.38 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2dad s GLY 52 N -0.90 1.11 0.40 0.44 0.00 -1.07 -4.57 107.32 102.73 2dad s GLY 52 Ca 0.00 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.38 2dad s GLY 52 CO 0.00 -1.04 1.25 -0.54 0.00 0.00 0.00 173.10 172.76 2dad s GLU 53 N -1.42 4.01 -1.03 2.90 2.02 -1.26 -2.96 118.70 120.96 2dad s GLU 53 Ca 0.06 2.02 -0.01 0.00 0.02 0.00 0.00 54.97 57.06 2dad s GLU 53 Cb -0.09 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2dad s GLU 53 CO 0.02 -0.41 0.18 0.09 0.02 0.00 0.00 175.26 175.16 2dad n ASN 54 N 0.13 -4.18 -3.67 -0.19 3.02 -1.26 -2.86 115.26 106.26 2dad n ASN 54 Ca 0.04 -0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.26 2dad n ASN 54 Cb 0.45 -3.22 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 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 -4.02 -2.39 -3.91 3.10 3.72 -1.16 -4.99 117.46 107.81 2dad n PHE 55 Ca -0.11 0.94 -0.22 0.00 -0.05 0.00 0.00 57.45 58.01 2dad n PHE 55 Cb 0.60 -4.63 -0.04 0.00 -0.94 0.00 0.00 39.48 34.46 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 -3.40 3.66 0.00 4.37 -4.23 -1.13 -4.98 115.64 109.92 2dad s THR 56 Ca 0.37 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2dad s THR 56 Cb -0.17 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2dad s THR 56 CO 0.77 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2dad n GLY 57 N -1.30 0.57 3.91 3.99 0.00 -1.26 -2.59 105.19 108.50 2dad n GLY 57 Ca -0.03 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 6.33 0.01 1.61 0.01 -1.26 -5.03 114.94 112.62 2dad s ASN 58 Ca 0.00 0.30 0.09 0.00 -0.71 0.00 0.00 52.86 52.53 2dad s ASN 58 Cb 0.00 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 2dad s ASN 58 CO 0.00 0.22 -0.26 0.00 -1.51 0.00 0.00 177.10 175.55 2dad s GLN 59 N -2.21 1.91 -0.20 -0.60 0.00 -1.26 -3.59 119.66 113.71 2dad s GLN 59 Ca 0.31 -1.01 -0.04 0.00 -0.00 0.00 0.00 55.36 54.62 2dad s GLN 59 Cb -0.13 -1.97 0.07 0.00 0.00 0.00 0.00 33.01 30.98 2dad s GLN 59 CO 0.23 0.52 0.07 0.71 0.00 0.00 0.00 175.29 176.82 2dad s TYR 60 N -0.71 0.69 0.94 9.60 1.51 -0.94 -4.95 117.35 123.50 2dad s TYR 60 Ca 0.11 -0.71 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 2dad s TYR 60 Cb -0.10 -0.93 0.16 0.00 -0.11 0.00 0.00 41.96 40.97 2dad s TYR 60 CO 0.01 -0.61 1.10 0.14 -1.11 0.00 0.00 175.55 175.07 2dad s VAL 61 N 1.97 2.30 -0.11 0.71 -7.23 -1.26 -1.50 120.40 115.28 2dad s VAL 61 Ca 0.02 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 2dad s VAL 61 Cb -0.17 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.18 2dad s VAL 61 CO -0.12 -0.13 0.23 -0.76 -0.31 0.00 0.00 175.10 174.01 2dad s LEU 62 N -6.28 0.06 0.85 1.32 1.43 -0.35 -4.89 118.68 110.83 2dad s LEU 62 Ca 0.64 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 2dad s LEU 62 Cb -0.17 0.60 0.10 0.00 0.03 0.00 0.00 46.19 46.75 2dad s LEU 62 CO 0.56 -0.21 1.16 -1.61 0.23 0.00 0.00 176.35 176.49 2dad s GLU 63 N 1.91 1.64 -0.20 1.70 2.02 -1.26 -2.39 118.70 122.12 2dad s GLU 63 Ca -0.03 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 2dad s GLU 63 Cb -0.11 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 2dad s GLU 63 CO -0.08 -1.84 1.73 -2.00 0.02 0.00 0.00 175.26 173.10 2dad s GLU 64 N -5.46 3.73 0.00 1.61 -6.30 -1.26 -4.60 118.70 106.43 2dad s GLU 64 Ca 0.63 1.79 0.00 0.00 -2.50 0.00 0.00 54.97 54.89 2dad s GLU 64 Cb -0.13 -4.10 0.00 0.00 0.00 0.00 0.00 34.13 29.91 2dad s GLU 64 CO 0.51 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2dad n GLY 65 N 4.81 1.38 3.55 -1.50 0.00 -1.04 -5.00 105.19 107.39 2dad n GLY 65 Ca 0.20 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 3.20 -0.53 1.61 -3.43 -1.26 -2.30 115.29 110.58 2dad s HIS 66 Ca 0.00 0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.21 2dad s HIS 66 Cb 0.00 -2.81 0.10 0.00 -1.43 0.00 0.00 32.58 28.44 2dad s HIS 66 CO 0.00 -0.48 0.51 0.71 -2.00 0.00 0.00 174.74 173.48 2dad s TYR 67 N 2.24 3.19 0.27 0.38 2.02 -0.69 -4.92 117.35 119.84 2dad s TYR 67 Ca 0.16 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.83 2dad s TYR 67 Cb -0.16 -3.63 0.36 0.00 -0.40 0.00 0.00 41.96 38.13 2dad s TYR 67 CO 0.12 -1.00 1.65 -1.00 -1.57 0.00 0.00 175.55 173.75 2dad h PRO 68 N 8.90 0.30 -4.82 -1.71 0.13 -1.92 -2.30 132.00 130.58 2dad h PRO 68 Ca -0.29 -0.16 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2dad h PRO 68 Cb 1.10 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 2dad h PRO 68 CO 1.00 0.70 -0.56 0.00 -0.23 0.00 0.00 178.00 178.91 2dad h LEU 70 N 2.29 0.61 -0.83 0.00 3.38 -1.73 -3.31 115.31 115.73 2dad h LEU 70 Ca -0.33 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.12 2dad h LEU 70 Cb 1.25 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 2dad h LEU 70 CO 0.50 1.10 -0.51 -1.28 0.09 0.00 0.00 178.44 178.35 2dad h SER 71 N 0.16 -1.85 -1.03 -0.43 0.87 -1.90 0.84 113.55 110.21 2dad h SER 71 Ca -0.01 0.28 0.26 0.00 -1.23 0.00 0.00 61.79 61.09 2dad h SER 71 Cb 1.05 0.82 -0.11 0.00 -0.44 0.00 0.00 62.40 63.71 2dad h SER 71 CO 0.09 -0.21 0.64 0.00 -0.53 0.00 0.00 176.83 176.82 2dad h ALA 72 N 0.26 2.05 0.00 6.23 0.00 -1.93 0.66 119.26 126.54 2dad h ALA 72 Ca 0.13 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2dad h ALA 72 Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2dad h ALA 72 CO -0.79 -0.50 -0.60 0.52 0.00 0.00 0.00 179.25 177.87 2dad h MET 73 N 0.46 0.00 0.00 0.00 2.07 0.40 -3.47 114.93 114.39 2dad h MET 73 Ca 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.26 2dad h MET 73 Cb 1.43 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.16 2dad h MET 73 CO -0.39 0.60 0.00 0.41 1.07 0.00 0.00 176.91 178.61 2dad n GLY 74 N 0.49 2.15 3.63 8.32 0.00 0.23 -4.98 105.19 115.03 2dad n GLY 74 Ca -0.00 -0.28 -0.39 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 -2.58 1.89 -1.15 0.00 0.04 -1.26 -4.09 135.00 127.86 2dad s PRO 76 Ca 0.72 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 2dad s PRO 76 Cb -0.45 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 2dad s PRO 76 CO 0.50 -1.86 1.94 -1.25 0.04 0.00 0.00 177.00 176.36 2dad s PRO 77 N -4.92 2.50 0.00 0.56 0.04 -1.26 -3.19 135.00 128.73 2dad s PRO 77 Ca 0.62 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2dad s PRO 77 Cb -0.17 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2dad s PRO 77 CO 0.56 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 174.10 2dad n GLY 78 N 5.95 0.27 3.50 0.56 0.00 -1.26 -5.15 105.19 109.06 2dad n GLY 78 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.32 3.03 -0.28 4.61 0.00 -1.19 -5.09 121.76 122.52 2dad s ALA 79 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2dad s ALA 79 Cb 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2dad s ALA 79 CO 0.00 0.13 0.00 0.99 0.00 0.00 0.00 175.76 176.88 2dad s THR 80 N 0.51 3.28 0.37 0.00 2.01 -1.26 -4.21 115.64 116.33 2dad s THR 80 Ca -0.02 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.72 2dad s THR 80 Cb -0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 2dad s THR 80 CO 0.02 0.09 1.16 -0.36 -0.69 0.00 0.00 174.62 174.84 2dad s PHE 81 N 1.37 3.20 -0.02 4.92 0.08 -1.26 -4.23 117.98 122.03 2dad s PHE 81 Ca -0.00 1.58 0.01 0.00 0.12 0.00 0.00 56.93 58.64 2dad s PHE 81 Cb -0.18 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.88 2dad s PHE 81 CO -0.01 -1.14 -0.01 1.63 -0.10 0.00 0.00 175.22 175.59 2dad n LYS 82 N 0.37 1.65 -4.09 0.44 5.02 0.12 -4.67 118.16 117.00 2dad n LYS 82 Ca 0.03 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 2dad n LYS 82 Cb 0.46 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.31 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 -3.82 0.88 0.24 4.39 1.04 -0.83 -1.54 113.70 114.06 2dad s SER 83 Ca -0.03 -0.72 0.07 0.00 0.48 0.00 0.00 55.95 55.76 2dad s SER 83 Cb 0.01 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 2dad s SER 83 CO 0.07 -0.32 -0.08 -0.76 0.98 0.00 0.00 173.24 173.13 2dad s LEU 84 N -2.11 2.48 -0.25 2.42 1.43 0.13 -1.67 118.68 121.10 2dad s LEU 84 Ca -0.03 -1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 51.93 2dad s LEU 84 Cb -0.04 -0.60 0.13 0.00 0.03 0.00 0.00 46.19 45.71 2dad s LEU 84 CO -0.02 -0.30 0.34 -0.60 0.23 0.00 0.00 176.35 176.00 2dad s ARG 85 N -3.71 0.33 -0.34 1.70 3.52 -0.82 -2.52 118.95 117.11 2dad s ARG 85 Ca 0.27 0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.87 2dad s ARG 85 Cb 0.02 -0.60 -0.01 0.00 -1.56 0.00 0.00 34.95 32.81 2dad s ARG 85 CO 0.09 -0.78 1.54 0.12 -0.81 0.00 0.00 175.30 175.46 2dad s PHE 86 N 2.48 2.23 -0.60 5.12 5.36 -1.26 -2.02 117.98 129.30 2dad s PHE 86 Ca 0.11 0.66 -0.21 0.00 -0.96 0.00 0.00 56.93 56.52 2dad s PHE 86 Cb -0.15 -4.14 0.07 0.00 -0.34 0.00 0.00 43.02 38.46 2dad s PHE 86 CO -0.21 -2.39 0.84 0.42 -1.46 0.00 0.00 175.22 172.43 2dad s ILE 87 N 5.59 4.54 -0.45 3.12 1.01 0.98 -4.98 121.20 131.01 2dad s ILE 87 Ca 0.67 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 2dad s ILE 87 Cb -0.19 -4.54 -0.08 0.00 0.01 0.00 0.00 42.46 37.66 2dad s ILE 87 CO 0.31 -1.20 2.38 -0.24 0.00 0.00 0.00 174.94 176.18 2dad n SER 88 N 7.09 2.39 0.00 3.58 2.88 -1.26 -2.19 113.62 126.11 2dad n SER 88 Ca -0.04 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2dad n SER 88 Cb 0.45 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2dad n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dad n GLY 89 N 6.03 -0.71 3.46 0.46 0.00 -1.26 -4.97 105.19 108.20 2dad n GLY 89 Ca 0.38 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 0.30 -3.13 -3.92 1.61 -0.04 -1.26 -4.27 135.00 124.29 2dad n PRO 90 Ca 0.00 -1.73 -0.13 0.00 -0.04 0.00 0.00 63.50 61.61 2dad n PRO 90 Cb 0.00 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 2dad n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dad s SER 91 N -4.41 0.11 -0.25 3.54 0.15 -1.26 -5.00 113.70 106.58 2dad s SER 91 Ca 0.70 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 57.30 2dad s SER 91 Cb -0.07 -0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.31 2dad s SER 91 CO 0.54 0.01 0.09 -0.55 1.20 0.00 0.00 173.24 174.53 2dad s SER 92 N -0.04 3.27 0.00 5.45 0.15 -1.26 -5.18 113.70 116.09 2dad s SER 92 Ca 0.00 -1.12 0.21 0.00 0.70 0.00 0.00 55.95 55.74 2dad s SER 92 Cb -0.00 -0.49 1.28 0.00 -1.71 0.00 0.00 66.02 65.09 2dad s SER 92 CO -0.00 -0.39 1.66 0.61 1.20 0.00 0.00 173.24 176.32