#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 -1.44 -2.79 1.61 0.87 -2.13 -3.42 113.55 106.25 2dad h SER 2 Ca 0.00 0.29 -0.51 0.00 -1.23 0.00 0.00 61.79 60.34 2dad h SER 2 Cb 0.00 0.73 -0.14 0.00 -0.44 0.00 0.00 62.40 62.55 2dad h SER 2 CO 0.00 -0.29 -0.68 -0.44 -0.53 0.00 0.00 176.83 174.89 2dad s SER 3 N -5.31 2.90 -0.16 6.23 0.01 -1.26 -5.14 113.70 110.97 2dad s SER 3 Ca -0.14 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 55.94 2dad s SER 3 Cb 0.18 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2dad s SER 3 CO 0.70 -0.32 -0.17 -0.83 0.41 0.00 0.00 173.24 173.03 2dad s GLY 4 N -3.46 1.44 0.15 3.44 0.00 -1.26 -5.12 107.32 102.50 2dad s GLY 4 Ca 0.30 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.96 2dad s GLY 4 CO 0.13 0.12 0.09 -1.35 0.00 0.00 0.00 173.10 172.08 2dad s SER 5 N 1.00 5.31 -0.15 1.64 1.04 -1.26 -5.02 113.70 116.27 2dad s SER 5 Ca -0.02 -0.18 0.15 0.00 0.48 0.00 0.00 55.95 56.38 2dad s SER 5 Cb -0.15 -1.33 0.52 0.00 0.10 0.00 0.00 66.02 65.16 2dad s SER 5 CO -0.04 0.09 1.42 -1.54 0.98 0.00 0.00 173.24 174.15 2dad n SER 6 N -0.15 3.88 -0.00 7.02 3.41 -1.26 -5.04 113.62 121.48 2dad n SER 6 Ca -0.09 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 2dad n SER 6 Cb 0.54 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2dad n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dad n GLY 7 N -0.18 -0.02 3.58 5.00 0.00 -1.25 -4.99 105.19 107.33 2dad n GLY 7 Ca 0.20 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2dad n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dad s GLN 8 N -4.63 1.73 -0.15 1.61 -0.21 0.14 -4.67 119.66 113.47 2dad s GLN 8 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 55.36 53.84 2dad s GLN 8 Cb 0.00 0.48 0.05 0.00 1.00 0.00 0.00 33.01 34.53 2dad s GLN 8 CO 0.00 -0.73 0.38 -1.50 -2.12 0.00 0.00 175.29 171.32 2dad s ILE 9 N -3.55 -0.01 -0.18 1.08 2.07 -0.26 -2.22 121.20 118.13 2dad s ILE 9 Ca 0.24 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 2dad s ILE 9 Cb -0.01 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.06 2dad s ILE 9 CO 0.13 0.02 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.75 2dad s HIS 10 N 0.74 2.48 0.17 3.50 5.65 -0.26 -0.38 115.29 127.18 2dad s HIS 10 Ca -0.04 -1.52 0.04 0.00 0.25 0.00 0.00 55.06 53.78 2dad s HIS 10 Cb -0.05 -1.72 -0.04 0.00 -1.18 0.00 0.00 32.58 29.59 2dad s HIS 10 CO -0.05 -0.74 0.24 -0.51 -0.65 0.00 0.00 174.74 173.02 2dad s LEU 11 N 1.38 4.13 -0.15 8.88 2.01 0.12 0.96 118.68 136.02 2dad s LEU 11 Ca 0.02 0.04 -0.02 0.00 0.01 0.00 0.00 54.13 54.18 2dad s LEU 11 Cb -0.14 -2.71 0.05 0.00 0.01 0.00 0.00 46.19 43.39 2dad s LEU 11 CO -0.10 0.04 0.01 -0.36 1.01 0.00 0.00 176.35 176.96 2dad s PHE 12 N -1.78 0.99 0.29 0.29 0.40 0.37 -0.84 117.98 117.71 2dad s PHE 12 Ca 0.33 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2dad s PHE 12 Cb -0.10 -0.99 0.70 0.00 0.51 0.00 0.00 43.02 43.13 2dad s PHE 12 CO 0.27 -0.52 1.62 1.03 0.70 0.00 0.00 175.22 178.31 2dad h SER 13 N 8.26 -0.22 -2.48 1.36 0.87 0.38 -2.88 113.55 118.84 2dad h SER 13 Ca -0.18 0.23 -0.53 0.00 -1.23 0.00 0.00 61.79 60.08 2dad h SER 13 Cb 1.12 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 63.41 2dad h SER 13 CO 0.32 -0.24 -0.47 -1.61 -0.53 0.00 0.00 176.83 174.30 2dad s GLU 14 N -5.98 3.39 0.90 2.24 2.02 -0.99 -3.32 118.70 116.96 2dad s GLU 14 Ca -0.12 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 2dad s GLU 14 Cb 0.27 -2.92 0.13 0.00 0.10 0.00 0.00 34.13 31.71 2dad s GLU 14 CO 0.77 0.50 1.09 -1.25 0.02 0.00 0.00 175.26 176.39 2dad s PRO 15 N -3.39 1.20 -1.48 0.39 0.04 -1.26 -2.96 135.00 127.53 2dad s PRO 15 Ca 0.34 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2dad s PRO 15 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2dad s PRO 15 CO 0.28 -2.28 0.25 1.04 0.04 0.00 0.00 177.00 176.33 2dad n GLN 16 N -3.90 -2.79 -3.75 4.56 6.02 0.21 -2.42 117.38 115.30 2dad n GLN 16 Ca 0.07 0.85 -0.24 0.00 -0.01 0.00 0.00 57.00 57.67 2dad n GLN 16 Cb 0.55 -5.43 0.03 0.00 1.02 0.00 0.00 30.24 26.42 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 -4.18 -2.07 -4.59 1.08 3.72 -1.25 -4.99 117.46 105.18 2dad n PHE 17 Ca -0.16 0.87 -0.31 0.00 -0.05 0.00 0.00 57.45 57.79 2dad n PHE 17 Cb 0.64 -4.32 -0.07 0.00 -0.94 0.00 0.00 39.48 34.80 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 -6.16 2.20 2.86 -1.08 -0.21 -1.02 -5.05 119.66 111.20 2dad s GLN 18 Ca 0.21 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.28 2dad s GLN 18 Cb -0.10 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.26 2dad s GLN 18 CO 0.81 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2dad n GLY 19 N -1.34 0.68 3.73 3.09 0.00 -1.26 -2.35 105.19 107.74 2dad n GLY 19 Ca -0.15 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2dad n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 20 N 0.00 2.11 -0.06 1.61 3.76 -1.26 -4.74 115.29 116.71 2dad s HIS 20 Ca 0.00 1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 56.26 2dad s HIS 20 Cb 0.00 -3.72 0.02 0.00 1.11 0.00 0.00 32.58 29.99 2dad s HIS 20 CO 0.00 -2.94 0.25 -1.54 -0.85 0.00 0.00 174.74 169.66 2dad s SER 21 N -1.30 -0.19 0.10 1.40 1.04 -1.26 0.89 113.70 114.38 2dad s SER 21 Ca 0.81 0.27 0.04 0.00 0.48 0.00 0.00 55.95 57.54 2dad s SER 21 Cb -0.38 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2dad s SER 21 CO 0.41 -0.25 -0.10 -1.10 0.98 0.00 0.00 173.24 173.19 2dad s GLN 22 N -0.57 0.87 -0.02 4.02 -0.21 -0.02 -4.96 119.66 118.78 2dad s GLN 22 Ca -0.07 -1.20 0.04 0.00 0.02 0.00 0.00 55.36 54.15 2dad s GLN 22 Cb -0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.43 2dad s GLN 22 CO 0.02 0.08 -0.12 -1.54 -2.12 0.00 0.00 175.29 171.60 2dad s SER 23 N -2.56 1.51 -0.04 5.90 1.04 -1.26 0.15 113.70 118.44 2dad s SER 23 Ca 0.07 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2dad s SER 23 Cb -0.02 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.85 2dad s SER 23 CO -0.00 0.13 -0.09 -0.36 0.98 0.00 0.00 173.24 173.90 2dad s PHE 24 N -0.14 1.08 -0.16 5.02 0.40 0.49 -4.98 117.98 119.69 2dad s PHE 24 Ca 0.02 -0.32 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 2dad s PHE 24 Cb -0.07 -0.80 -0.17 0.00 0.51 0.00 0.00 43.02 42.50 2dad s PHE 24 CO 0.00 -0.16 -0.02 -1.91 0.70 0.00 0.00 175.22 173.83 2dad n GLU 25 N 3.55 1.23 -3.93 0.44 2.13 -1.26 -1.10 120.64 121.70 2dad n GLU 25 Ca -0.21 0.03 -0.21 0.00 0.66 0.00 0.00 57.16 57.43 2dad n GLU 25 Cb 0.53 -1.39 -0.04 0.00 0.27 0.00 0.00 31.44 30.82 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2dad s GLU 26 N -2.37 2.89 -0.31 5.31 0.41 -1.26 -4.69 118.70 118.68 2dad s GLU 26 Ca -0.13 -1.13 -0.27 0.00 -0.41 0.00 0.00 54.97 53.03 2dad s GLU 26 Cb 0.05 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.77 2dad s GLU 26 CO 0.56 0.25 2.29 2.41 -0.49 0.00 0.00 175.26 180.29 2dad n THR 27 N -1.31 0.19 -3.56 3.63 -1.04 -1.26 -4.83 114.28 106.10 2dad n THR 27 Ca -0.05 -0.58 -0.31 0.00 -2.04 0.00 0.00 64.05 61.07 2dad n THR 27 Cb 0.59 -2.65 -0.04 0.00 -1.82 0.00 0.00 70.33 66.40 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 9.71 5.09 -0.01 12.58 2.01 -1.10 -4.95 115.64 138.97 2dad s THR 28 Ca 1.00 0.10 0.02 0.00 0.31 0.00 0.00 61.69 63.12 2dad s THR 28 Cb -0.28 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2dad s THR 28 CO 0.32 -0.07 0.04 -0.24 -0.69 0.00 0.00 174.62 173.98 2dad n SER 29 N -0.21 4.49 -4.18 3.53 2.88 -1.26 0.67 113.62 119.53 2dad n SER 29 Ca -0.02 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 2dad n SER 29 Cb 0.52 1.02 -0.13 0.00 -0.75 0.00 0.00 64.21 64.88 2dad n SER 29 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dad s GLN 30 N -2.14 0.95 0.04 -1.46 1.11 -1.02 -3.22 119.66 113.92 2dad s GLN 30 Ca -0.01 -0.91 0.06 0.00 0.01 0.00 0.00 55.36 54.51 2dad s GLN 30 Cb 0.01 -1.00 -0.03 0.00 -1.01 0.00 0.00 33.01 30.98 2dad s GLN 30 CO 0.09 0.24 -0.12 0.42 0.01 0.00 0.00 175.29 175.93 2dad s ILE 31 N -1.07 3.22 -0.64 1.08 -1.09 -0.98 -4.86 121.20 116.87 2dad s ILE 31 Ca 0.01 -1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 57.07 2dad s ILE 31 Cb -0.09 -2.41 -0.13 0.00 -1.58 0.00 0.00 42.46 38.25 2dad s ILE 31 CO 0.02 0.30 2.47 0.47 -1.23 0.00 0.00 174.94 176.97 2dad n ASP 32 N 1.35 1.58 -2.69 3.58 9.92 -1.26 -0.55 116.55 128.47 2dad n ASP 32 Ca -0.15 -0.09 -0.19 0.00 -0.53 0.00 0.00 54.79 53.83 2dad n ASP 32 Cb 0.52 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 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 12.86 -5.03 -4.04 -2.24 2.03 -1.26 -1.59 116.55 117.28 2dad n ASP 33 Ca 0.48 -0.07 -0.33 0.00 0.52 0.00 0.00 54.79 55.39 2dad n ASP 33 Cb 0.31 -4.17 -0.04 0.00 -0.72 0.00 0.00 41.12 36.50 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 -2.11 -2.61 -4.66 1.67 3.41 0.28 -4.77 113.62 104.84 2dad n SER 34 Ca -0.15 -0.85 -0.46 0.00 -0.26 0.00 0.00 58.87 57.15 2dad n SER 34 Cb 0.63 -2.20 -0.04 0.00 -0.26 0.00 0.00 64.21 62.34 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 -4.00 2.34 -0.76 7.33 1.16 -0.62 -4.83 117.46 118.08 2dad n PHE 35 Ca 0.07 -0.15 -0.33 0.00 -1.87 0.00 0.00 57.45 55.18 2dad n PHE 35 Cb 0.48 -2.72 0.14 0.00 -1.61 0.00 0.00 39.48 35.77 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 7.59 -2.26 -3.48 5.98 3.41 -1.26 -4.65 113.62 118.95 2dad n SER 36 Ca 0.23 0.18 -0.17 0.00 -0.26 0.00 0.00 58.87 58.85 2dad n SER 36 Cb 0.35 -1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 63.05 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 -2.34 -0.35 -0.00 6.66 2.01 -1.23 -3.96 115.64 116.43 2dad s THR 37 Ca 0.56 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2dad s THR 37 Cb -0.18 -0.69 -0.25 0.00 0.01 0.00 0.00 72.50 71.39 2dad s THR 37 CO 0.67 -0.20 0.83 0.11 -0.69 0.00 0.00 174.62 175.34 2dad h LYS 38 N 8.30 0.14 -5.52 4.92 1.57 -1.50 -3.45 116.57 121.03 2dad h LYS 38 Ca -0.17 -0.23 -0.44 0.00 -1.87 0.00 0.00 60.65 57.93 2dad h LYS 38 Cb 1.15 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 33.34 2dad h LYS 38 CO 0.28 0.92 -0.78 -1.54 -0.57 0.00 0.00 179.45 177.76 2dad s SER 39 N -6.68 1.90 0.20 0.86 1.04 -1.19 -1.46 113.70 108.36 2dad s SER 39 Ca -0.07 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 2dad s SER 39 Cb 0.08 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 2dad s SER 39 CO 0.83 -0.06 0.19 0.00 0.98 0.00 0.00 173.24 175.18 2dad s ARG 41 N -4.11 0.15 0.33 0.00 3.52 0.27 -1.87 118.95 117.24 2dad s ARG 41 Ca 0.32 -0.17 -0.16 0.00 -0.13 0.00 0.00 55.73 55.59 2dad s ARG 41 Cb 0.05 -1.39 -0.09 0.00 -1.56 0.00 0.00 34.95 31.96 2dad s ARG 41 CO 0.09 -0.81 0.77 0.08 -0.81 0.00 0.00 175.30 174.62 2dad s VAL 42 N 2.19 4.62 -0.29 7.11 1.01 -1.08 -1.11 120.40 132.85 2dad s VAL 42 Ca 0.06 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2dad s VAL 42 Cb -0.16 -3.64 0.18 0.00 0.00 0.00 0.00 36.38 32.76 2dad s VAL 42 CO -0.20 -0.16 0.55 -0.44 0.00 0.00 0.00 175.10 174.84 2dad s SER 43 N -2.19 -1.07 0.00 3.32 0.01 -0.94 -3.37 113.70 109.47 2dad s SER 43 Ca 0.54 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2dad s SER 43 Cb -0.11 1.88 0.00 0.00 0.21 0.00 0.00 66.02 68.00 2dad s SER 43 CO 0.17 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2dad n GLY 44 N 5.41 -1.51 0.00 3.44 0.00 -1.26 0.27 105.19 111.54 2dad n GLY 44 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 -1.93 3.85 -0.02 0.00 -1.26 -3.76 105.19 101.98 2dad n GLY 45 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.69 5.01 -0.02 1.61 0.01 -1.14 -4.62 113.70 110.87 2dad s SER 46 Ca 0.00 1.21 -0.00 0.00 1.31 0.00 0.00 55.95 58.47 2dad s SER 46 Cb 0.00 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.27 2dad s SER 46 CO 0.00 -1.63 0.03 0.26 0.41 0.00 0.00 173.24 172.31 2dad s TRP 47 N -3.27 0.00 -0.13 2.43 0.52 -0.97 -0.81 118.94 116.72 2dad s TRP 47 Ca 0.59 0.11 -0.07 0.00 0.02 0.00 0.00 56.10 56.75 2dad s TRP 47 Cb -0.13 -0.13 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 2dad s TRP 47 CO 0.53 -0.06 0.12 0.08 0.02 0.00 0.00 176.95 177.64 2dad s VAL 48 N 0.64 5.35 -0.20 4.03 1.01 -0.19 -0.12 120.40 130.91 2dad s VAL 48 Ca -0.05 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2dad s VAL 48 Cb -0.08 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.00 2dad s VAL 48 CO -0.02 0.58 -0.09 0.68 0.00 0.00 0.00 175.10 176.25 2dad s VAL 49 N -0.69 1.57 0.07 2.92 -7.23 -0.49 -1.46 120.40 115.09 2dad s VAL 49 Ca 0.13 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2dad s VAL 49 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2dad s VAL 49 CO 0.03 0.14 0.21 -0.31 -0.31 0.00 0.00 175.10 174.86 2dad s TYR 50 N 1.42 3.51 -0.79 2.82 1.51 -0.73 -2.09 117.35 123.00 2dad s TYR 50 Ca -0.01 0.24 0.11 0.00 -1.01 0.00 0.00 57.07 56.39 2dad s TYR 50 Cb -0.16 -1.75 0.56 0.00 -0.11 0.00 0.00 41.96 40.49 2dad s TYR 50 CO -0.08 0.58 1.38 -0.40 -1.11 0.00 0.00 175.55 175.93 2dad n ASP 51 N 0.24 4.02 -3.89 2.29 5.75 -1.21 -0.22 116.55 123.53 2dad n ASP 51 Ca -0.05 -2.52 -0.11 0.00 -0.01 0.00 0.00 54.79 52.10 2dad n ASP 51 Cb 0.51 -0.57 -0.13 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.64 0.06 0.48 6.12 0.00 -0.60 -4.76 107.32 107.97 2dad s GLY 52 Ca 0.38 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.74 2dad s GLY 52 CO 0.14 -0.15 1.34 -0.54 0.00 0.00 0.00 173.10 173.89 2dad s GLU 53 N -0.45 3.54 -0.96 2.90 2.02 -1.26 -2.10 118.70 122.38 2dad s GLU 53 Ca -0.05 2.22 -0.02 0.00 0.02 0.00 0.00 54.97 57.13 2dad s GLU 53 Cb -0.03 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2dad s GLU 53 CO -0.00 -0.87 0.32 0.09 0.02 0.00 0.00 175.26 174.82 2dad n ASN 54 N -0.49 -4.27 -3.61 -0.19 3.02 -1.20 -3.04 115.26 105.48 2dad n ASN 54 Ca 0.07 -0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 2dad n ASN 54 Cb 0.44 -3.19 0.06 0.00 -0.61 0.00 0.00 39.78 36.48 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 -4.01 -2.16 -4.14 3.10 3.72 -1.13 -5.00 117.46 107.85 2dad n PHE 55 Ca -0.08 0.90 -0.26 0.00 -0.05 0.00 0.00 57.45 57.97 2dad n PHE 55 Cb 0.58 -4.68 -0.06 0.00 -0.94 0.00 0.00 39.48 34.38 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 -3.48 4.16 0.00 4.37 -4.23 -0.89 -4.98 115.64 110.58 2dad s THR 56 Ca 0.13 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2dad s THR 56 Cb -0.06 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2dad s THR 56 CO 0.77 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 2dad n GLY 57 N -0.41 0.65 4.00 3.99 0.00 -1.26 -1.56 105.19 110.59 2dad n GLY 57 Ca -0.09 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 5.64 0.00 1.61 0.01 -1.26 -4.97 114.94 111.97 2dad s ASN 58 Ca 0.00 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 2dad s ASN 58 Cb 0.00 -0.79 -0.00 0.00 0.41 0.00 0.00 41.25 40.87 2dad s ASN 58 CO 0.00 -0.78 -0.02 0.00 -1.51 0.00 0.00 177.10 174.80 2dad s GLN 59 N -4.40 0.13 -0.16 -0.60 -2.07 -1.26 -3.30 119.66 108.00 2dad s GLN 59 Ca 0.54 -0.09 -0.03 0.00 -1.82 0.00 0.00 55.36 53.96 2dad s GLN 59 Cb -0.10 -0.10 0.05 0.00 -1.09 0.00 0.00 33.01 31.77 2dad s GLN 59 CO 0.34 0.03 0.05 0.71 -1.32 0.00 0.00 175.29 175.10 2dad s TYR 60 N -0.12 0.61 0.87 9.60 1.51 -0.89 -4.93 117.35 124.00 2dad s TYR 60 Ca -0.00 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 2dad s TYR 60 Cb -0.01 -0.84 0.11 0.00 -0.11 0.00 0.00 41.96 41.12 2dad s TYR 60 CO -0.00 -0.51 1.11 0.14 -1.11 0.00 0.00 175.55 175.18 2dad s VAL 61 N 2.00 2.59 -0.09 0.71 -7.23 -1.26 -1.40 120.40 115.72 2dad s VAL 61 Ca 0.01 0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2dad s VAL 61 Cb -0.16 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 33.98 2dad s VAL 61 CO -0.08 -0.25 0.20 -0.76 -0.31 0.00 0.00 175.10 173.90 2dad s LEU 62 N -6.02 0.24 0.88 1.32 1.43 0.83 -4.91 118.68 112.45 2dad s LEU 62 Ca 0.63 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2dad s LEU 62 Cb -0.16 0.50 0.12 0.00 0.03 0.00 0.00 46.19 46.68 2dad s LEU 62 CO 0.55 -0.20 1.14 -1.61 0.23 0.00 0.00 176.35 176.47 2dad s GLU 63 N 1.72 1.42 -0.23 1.70 2.02 -1.26 -2.28 118.70 121.78 2dad s GLU 63 Ca -0.04 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 54.94 2dad s GLU 63 Cb -0.11 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 2dad s GLU 63 CO -0.07 -2.00 1.47 -2.00 0.02 0.00 0.00 175.26 172.68 2dad s GLU 64 N -5.34 3.90 0.00 1.61 -6.30 -1.26 -4.53 118.70 106.78 2dad s GLU 64 Ca 0.63 1.54 0.00 0.00 -2.50 0.00 0.00 54.97 54.64 2dad s GLU 64 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 34.13 30.04 2dad s GLU 64 CO 0.52 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2dad n GLY 65 N 4.41 -0.70 3.13 -1.50 0.00 -1.22 -5.00 105.19 104.32 2dad n GLY 65 Ca 0.17 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.00 2.86 -0.43 1.61 -3.43 -1.26 -2.62 115.29 109.02 2dad s HIS 66 Ca 0.00 -1.69 -0.07 0.00 -0.80 0.00 0.00 55.06 52.50 2dad s HIS 66 Cb 0.00 -1.94 0.10 0.00 -1.43 0.00 0.00 32.58 29.31 2dad s HIS 66 CO 0.00 -0.80 0.26 0.71 -2.00 0.00 0.00 174.74 172.91 2dad s TYR 67 N 1.28 3.44 0.31 0.38 2.02 -0.78 -4.94 117.35 119.05 2dad s TYR 67 Ca 0.03 -1.93 0.13 0.00 -0.37 0.00 0.00 57.07 54.93 2dad s TYR 67 Cb -0.14 -3.19 0.61 0.00 -0.40 0.00 0.00 41.96 38.83 2dad s TYR 67 CO -0.11 -0.94 1.74 -1.00 -1.57 0.00 0.00 175.55 173.68 2dad h PRO 68 N 8.30 0.00 -4.69 -1.71 0.13 -1.92 -2.55 132.00 129.56 2dad h PRO 68 Ca -0.19 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.65 2dad h PRO 68 Cb 1.07 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.05 2dad h PRO 68 CO 0.77 0.46 -0.61 0.00 -0.23 0.00 0.00 178.00 178.39 2dad h LEU 70 N 2.51 0.25 -0.65 0.00 3.38 -1.58 -3.31 115.31 115.92 2dad h LEU 70 Ca -0.35 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.13 2dad h LEU 70 Cb 1.25 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 2dad h LEU 70 CO 0.53 0.74 -0.38 -0.24 0.09 0.00 0.00 178.44 179.18 2dad n SER 71 N -4.62 -0.69 -0.35 -0.43 2.88 -1.26 0.17 113.62 109.32 2dad n SER 71 Ca -0.07 1.37 0.25 0.00 -1.33 0.00 0.00 58.87 59.09 2dad n SER 71 Cb 0.36 -0.26 0.51 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.10 2.22 0.00 -1.46 0.00 -1.92 0.92 119.26 119.13 2dad h ALA 72 Ca 0.10 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2dad h ALA 72 Cb 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dad h ALA 72 CO -0.61 -0.70 -0.56 0.52 0.00 0.00 0.00 179.25 177.90 2dad h MET 73 N 0.36 0.00 0.00 0.00 2.07 0.16 -3.48 114.93 114.04 2dad h MET 73 Ca 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.29 2dad h MET 73 Cb 1.67 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.40 2dad h MET 73 CO -0.38 0.56 0.00 0.41 1.07 0.00 0.00 176.91 178.57 2dad n GLY 74 N 0.74 2.15 3.57 8.32 0.00 0.32 -4.99 105.19 115.31 2dad n GLY 74 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.68 1.64 -0.80 0.00 0.04 -1.26 -4.05 135.00 127.89 2dad s PRO 76 Ca 0.74 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 2dad s PRO 76 Cb -0.41 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2dad s PRO 76 CO 0.49 -2.01 1.92 -1.25 0.04 0.00 0.00 177.00 176.18 2dad s PRO 77 N -4.92 2.58 0.00 0.56 0.04 -1.26 -3.34 135.00 128.65 2dad s PRO 77 Ca 0.63 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2dad s PRO 77 Cb -0.18 -4.82 0.00 0.00 0.04 0.00 0.00 34.50 29.55 2dad s PRO 77 CO 0.57 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.87 2dad n GLY 78 N 6.44 0.91 3.81 0.56 0.00 -1.26 -5.13 105.19 110.51 2dad n GLY 78 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.41 3.70 -0.27 4.61 0.00 -1.21 -5.09 121.76 123.09 2dad s ALA 79 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2dad s ALA 79 Cb 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 21.33 2dad s ALA 79 CO 0.00 0.55 -0.07 0.99 0.00 0.00 0.00 175.76 177.24 2dad s THR 80 N -0.82 2.06 0.26 0.00 2.01 -1.26 -3.55 115.64 114.34 2dad s THR 80 Ca 0.13 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 2dad s THR 80 Cb -0.12 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.03 2dad s THR 80 CO 0.03 -0.17 1.28 -0.36 -0.69 0.00 0.00 174.62 174.71 2dad s PHE 81 N 1.12 3.23 -0.02 4.92 0.08 -1.26 -4.38 117.98 121.67 2dad s PHE 81 Ca -0.04 1.36 0.02 0.00 0.12 0.00 0.00 56.93 58.39 2dad s PHE 81 Cb -0.20 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.64 2dad s PHE 81 CO -0.06 -1.68 0.01 1.63 -0.10 0.00 0.00 175.22 175.02 2dad n LYS 82 N 1.72 3.19 -3.90 0.44 5.02 0.69 -4.69 118.16 120.63 2dad n LYS 82 Ca 0.03 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 2dad n LYS 82 Cb 0.43 -1.05 -0.12 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 -3.12 0.07 0.24 4.39 1.04 -1.22 -2.31 113.70 112.79 2dad s SER 83 Ca -0.01 -0.17 0.12 0.00 0.48 0.00 0.00 55.95 56.37 2dad s SER 83 Cb 0.01 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 2dad s SER 83 CO 0.08 -0.17 -0.21 -0.76 0.98 0.00 0.00 173.24 173.17 2dad s LEU 84 N -0.72 2.55 -0.21 2.42 1.43 0.21 -1.77 118.68 122.59 2dad s LEU 84 Ca -0.08 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 2dad s LEU 84 Cb -0.05 -1.17 0.09 0.00 0.03 0.00 0.00 46.19 45.09 2dad s LEU 84 CO -0.00 0.08 0.18 -0.60 0.23 0.00 0.00 176.35 176.24 2dad s ARG 85 N -3.13 0.17 -0.55 1.70 3.52 -0.53 -2.71 118.95 117.42 2dad s ARG 85 Ca 0.26 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.60 2dad s ARG 85 Cb -0.06 -1.33 0.02 0.00 -1.56 0.00 0.00 34.95 32.01 2dad s ARG 85 CO 0.13 -0.73 1.33 0.12 -0.81 0.00 0.00 175.30 175.34 2dad s PHE 86 N 2.25 2.42 -0.64 5.12 5.36 -1.26 -1.03 117.98 130.20 2dad s PHE 86 Ca 0.06 0.48 -0.25 0.00 -0.96 0.00 0.00 56.93 56.26 2dad s PHE 86 Cb -0.16 -4.43 0.04 0.00 -0.34 0.00 0.00 43.02 38.14 2dad s PHE 86 CO -0.16 -1.83 1.09 0.42 -1.46 0.00 0.00 175.22 173.29 2dad s ILE 87 N 5.59 4.10 -0.36 3.12 1.01 0.01 -4.95 121.20 129.72 2dad s ILE 87 Ca 0.50 0.28 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 2dad s ILE 87 Cb -0.10 -4.72 -0.06 0.00 0.01 0.00 0.00 42.46 37.59 2dad s ILE 87 CO 0.26 -1.46 2.28 -0.94 0.00 0.00 0.00 174.94 175.08 2dad s SER 88 N 3.34 4.99 0.00 3.58 1.04 -1.26 -2.90 113.70 122.48 2dad s SER 88 Ca 0.32 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2dad s SER 88 Cb -0.11 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2dad s SER 88 CO 0.17 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.60 2dad n GLY 89 N 5.86 0.77 3.56 7.32 0.00 -1.26 -4.85 105.19 116.59 2dad n GLY 89 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 2dad n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dad s PRO 90 N 1.42 2.55 0.24 1.61 0.04 -1.26 -4.89 135.00 134.70 2dad s PRO 90 Ca 0.00 -0.39 -0.07 0.00 0.04 0.00 0.00 61.00 60.58 2dad s PRO 90 Cb 0.00 -5.08 -0.02 0.00 0.04 0.00 0.00 34.50 29.44 2dad s PRO 90 CO 0.00 -3.45 0.34 -1.54 0.04 0.00 0.00 177.00 172.39 2dad s SER 91 N 7.86 0.10 0.58 6.66 1.04 -1.26 -5.00 113.70 123.68 2dad s SER 91 Ca 0.70 -1.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.76 2dad s SER 91 Cb -0.06 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2dad s SER 91 CO 0.01 -1.03 1.30 -1.54 0.98 0.00 0.00 173.24 172.96 2dad n SER 92 N -0.43 2.30 0.00 7.02 3.41 -1.26 -5.22 113.62 119.45 2dad n SER 92 Ca 0.00 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 2dad n SER 92 Cb 0.63 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2dad n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49