#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad s SER 2 N 0.00 -0.73 -0.04 1.61 0.15 -1.26 -4.99 113.70 108.44 2dad s SER 2 Ca 0.00 1.26 -0.22 0.00 0.70 0.00 0.00 55.95 57.69 2dad s SER 2 Cb 0.00 1.45 -0.16 0.00 -1.71 0.00 0.00 66.02 65.60 2dad s SER 2 CO 0.00 -0.22 0.97 -1.28 1.20 0.00 0.00 173.24 173.91 2dad h SER 3 N 7.54 -0.21 0.00 5.45 0.87 -2.05 -3.45 113.55 121.70 2dad h SER 3 Ca -0.25 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2dad h SER 3 Cb 1.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dad h SER 3 CO 0.17 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 2dad n GLY 4 N 0.38 -3.05 3.68 5.77 0.00 -1.26 -4.83 105.19 105.88 2dad n GLY 4 Ca -0.08 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2dad n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dad s SER 5 N -2.05 6.81 -0.67 1.61 1.04 -1.26 -4.95 113.70 114.23 2dad s SER 5 Ca 0.00 2.14 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 2dad s SER 5 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.60 2dad s SER 5 CO 0.00 -0.76 1.16 -0.94 0.98 0.00 0.00 173.24 173.68 2dad s SER 6 N 2.11 6.25 1.21 7.02 1.04 -1.26 -4.60 113.70 125.47 2dad s SER 6 Ca 0.65 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 2dad s SER 6 Cb -0.32 -2.52 0.27 0.00 0.10 0.00 0.00 66.02 63.55 2dad s SER 6 CO 0.27 -1.62 0.75 0.61 0.98 0.00 0.00 173.24 174.23 2dad n GLY 7 N 5.27 -2.44 3.03 7.32 0.00 -1.26 -4.94 105.19 112.16 2dad n GLY 7 Ca 0.03 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.22 0.18 0.08 1.61 0.74 0.64 -4.57 119.66 114.12 2dad s GLN 8 Ca 0.65 0.26 0.06 0.00 0.05 0.00 0.00 55.36 56.38 2dad s GLN 8 Cb -0.21 0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.92 2dad s GLN 8 CO 0.64 -0.05 -0.16 -1.50 -0.55 0.00 0.00 175.29 173.67 2dad s ILE 9 N 0.29 1.31 -0.15 -2.34 2.07 -0.75 -0.39 121.20 121.25 2dad s ILE 9 Ca -0.02 -1.37 -0.01 0.00 -1.41 0.00 0.00 60.65 57.85 2dad s ILE 9 Cb -0.03 -1.23 0.04 0.00 0.13 0.00 0.00 42.46 41.37 2dad s ILE 9 CO -0.01 -0.16 -0.04 -2.28 -1.91 0.00 0.00 174.94 170.55 2dad s HIS 10 N -1.21 1.41 0.09 3.50 5.65 0.22 -0.41 115.29 124.55 2dad s HIS 10 Ca 0.01 -0.85 0.02 0.00 0.25 0.00 0.00 55.06 54.49 2dad s HIS 10 Cb -0.10 -1.18 -0.04 0.00 -1.18 0.00 0.00 32.58 30.08 2dad s HIS 10 CO 0.03 -0.55 0.17 -0.51 -0.65 0.00 0.00 174.74 173.23 2dad s LEU 11 N 1.73 4.12 -0.17 8.88 2.01 0.78 0.13 118.68 136.17 2dad s LEU 11 Ca 0.02 0.12 -0.02 0.00 0.01 0.00 0.00 54.13 54.26 2dad s LEU 11 Cb -0.15 -2.74 0.05 0.00 0.01 0.00 0.00 46.19 43.36 2dad s LEU 11 CO -0.07 0.14 0.01 -0.36 1.01 0.00 0.00 176.35 177.07 2dad s PHE 12 N -1.54 1.14 0.32 0.29 0.40 -0.74 -0.00 117.98 117.85 2dad s PHE 12 Ca 0.33 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2dad s PHE 12 Cb -0.12 -1.06 0.88 0.00 0.51 0.00 0.00 43.02 43.23 2dad s PHE 12 CO 0.26 -0.56 1.57 1.03 0.70 0.00 0.00 175.22 178.22 2dad h SER 13 N 8.23 -0.33 -2.27 1.36 0.87 -0.46 -3.14 113.55 117.80 2dad h SER 13 Ca -0.18 0.28 -0.48 0.00 -1.23 0.00 0.00 61.79 60.17 2dad h SER 13 Cb 1.12 0.45 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 2dad h SER 13 CO 0.34 -0.38 -0.44 -1.61 -0.53 0.00 0.00 176.83 174.21 2dad s GLU 14 N -5.91 3.40 0.96 2.24 2.02 -0.99 -3.68 118.70 116.74 2dad s GLU 14 Ca -0.12 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 2dad s GLU 14 Cb 0.30 -2.88 0.16 0.00 0.10 0.00 0.00 34.13 31.81 2dad s GLU 14 CO 0.78 0.45 1.09 -1.25 0.02 0.00 0.00 175.26 176.35 2dad s PRO 15 N -3.81 0.77 -1.47 0.39 0.04 -1.26 -3.06 135.00 126.61 2dad s PRO 15 Ca 0.34 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 2dad s PRO 15 Cb -0.09 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dad s PRO 15 CO 0.29 -2.53 0.68 0.94 0.04 0.00 0.00 177.00 176.41 2dad n GLN 16 N -4.06 -4.92 -3.91 4.56 7.27 -0.41 -1.59 117.38 114.31 2dad n GLN 16 Ca 0.06 0.76 -0.29 0.00 0.07 0.00 0.00 57.00 57.61 2dad n GLN 16 Cb 0.56 -5.61 0.02 0.00 2.41 0.00 0.00 30.24 27.62 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2dad n PHE 17 N -4.44 -2.07 -4.07 3.69 3.72 -1.25 -4.97 117.46 108.07 2dad n PHE 17 Ca -0.06 0.86 -0.27 0.00 -0.05 0.00 0.00 57.45 57.92 2dad n PHE 17 Cb 0.59 -3.91 -0.02 0.00 -0.94 0.00 0.00 39.48 35.19 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 -6.51 2.25 3.28 -1.08 -0.21 -0.62 -5.03 119.66 111.72 2dad s GLN 18 Ca 0.45 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.75 2dad s GLN 18 Cb -0.23 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.80 2dad s GLN 18 CO 0.85 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 2dad n GLY 19 N -1.64 0.97 3.70 3.09 0.00 -1.26 -2.35 105.19 107.70 2dad n GLY 19 Ca -0.05 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 1.83 -0.05 1.61 3.76 -1.26 -4.78 115.29 116.40 2dad s HIS 20 Ca 0.00 1.67 -0.10 0.00 -0.15 0.00 0.00 55.06 56.48 2dad s HIS 20 Cb 0.00 -3.47 0.02 0.00 1.11 0.00 0.00 32.58 30.24 2dad s HIS 20 CO 0.00 -2.80 0.24 -1.54 -0.85 0.00 0.00 174.74 169.78 2dad s SER 21 N -2.20 -0.18 -0.06 1.40 1.04 -1.26 0.11 113.70 112.56 2dad s SER 21 Ca 0.73 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 2dad s SER 21 Cb -0.28 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.27 2dad s SER 21 CO 0.50 -0.23 0.11 -1.10 0.98 0.00 0.00 173.24 173.50 2dad s GLN 22 N -0.54 0.01 -0.03 4.02 -0.21 0.99 -4.98 119.66 118.93 2dad s GLN 22 Ca -0.06 0.39 -0.00 0.00 0.02 0.00 0.00 55.36 55.70 2dad s GLN 22 Cb -0.04 -0.29 -0.04 0.00 1.00 0.00 0.00 33.01 33.65 2dad s GLN 22 CO 0.01 -0.24 0.03 -1.54 -2.12 0.00 0.00 175.29 171.43 2dad s SER 23 N 1.66 5.35 -0.13 5.90 1.04 -1.26 -0.15 113.70 126.11 2dad s SER 23 Ca -0.03 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.50 2dad s SER 23 Cb -0.12 -1.48 0.02 0.00 0.10 0.00 0.00 66.02 64.54 2dad s SER 23 CO -0.05 0.31 -0.13 -0.36 0.98 0.00 0.00 173.24 173.99 2dad s PHE 24 N -1.06 1.98 -0.05 5.02 0.08 0.46 -4.99 117.98 119.41 2dad s PHE 24 Ca 0.19 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 2dad s PHE 24 Cb -0.12 -1.47 -0.26 0.00 -0.57 0.00 0.00 43.02 40.60 2dad s PHE 24 CO 0.09 -0.58 0.66 0.93 -0.10 0.00 0.00 175.22 176.22 2dad h GLU 25 N 7.88 0.20 -5.85 0.44 3.07 -1.85 -1.99 114.58 116.48 2dad h GLU 25 Ca -0.35 -0.34 -0.58 0.00 -0.50 0.00 0.00 59.36 57.60 2dad h GLU 25 Cb 1.15 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 29.10 2dad h GLU 25 CO 0.50 1.00 -0.45 -1.21 -1.40 0.00 0.00 179.01 177.45 2dad s GLU 26 N -2.59 2.25 0.11 2.33 2.02 -1.26 -4.45 118.70 117.10 2dad s GLU 26 Ca -0.12 -1.92 -0.31 0.00 0.02 0.00 0.00 54.97 52.64 2dad s GLU 26 Cb 0.07 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.22 2dad s GLU 26 CO 0.82 -0.25 1.83 0.99 0.02 0.00 0.00 175.26 178.67 2dad s THR 27 N -2.66 2.63 -0.03 3.63 2.01 -1.26 -4.96 115.64 115.01 2dad s THR 27 Ca 0.36 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 2dad s THR 27 Cb 0.02 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2dad s THR 27 CO 0.21 -0.00 0.11 -0.89 -0.69 0.00 0.00 174.62 173.35 2dad s THR 28 N 2.90 4.99 -0.06 -0.82 2.01 -1.20 -4.98 115.64 118.48 2dad s THR 28 Ca 0.81 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.66 2dad s THR 28 Cb -0.45 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 2dad s THR 28 CO 0.36 0.41 0.10 -1.54 -0.69 0.00 0.00 174.62 173.26 2dad n SER 29 N 1.33 2.67 -3.81 3.53 3.41 -1.26 0.21 113.62 119.70 2dad n SER 29 Ca -0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.32 2dad n SER 29 Cb 0.53 1.00 -0.16 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.40 0.05 0.15 4.33 2.00 -1.20 -3.72 119.66 118.87 2dad s GLN 30 Ca -0.04 0.11 -0.15 0.00 -2.00 0.00 0.00 55.36 53.28 2dad s GLN 30 Cb 0.04 -0.24 -0.07 0.00 0.80 0.00 0.00 33.01 33.54 2dad s GLN 30 CO 0.40 -0.11 0.56 0.42 -0.50 0.00 0.00 175.29 176.06 2dad s ILE 31 N 0.78 4.83 -0.57 -2.34 -1.09 -0.28 -4.94 121.20 117.59 2dad s ILE 31 Ca -0.07 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 58.92 2dad s ILE 31 Cb -0.10 -3.75 -0.12 0.00 -1.58 0.00 0.00 42.46 36.91 2dad s ILE 31 CO -0.02 0.25 2.42 0.47 -1.23 0.00 0.00 174.94 176.83 2dad n ASP 32 N 0.82 1.76 -2.70 3.58 8.00 -1.26 -0.68 116.55 126.06 2dad n ASP 32 Ca -0.05 -0.03 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 2dad n ASP 32 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2dad n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dad n ASP 33 N 12.57 -4.86 -3.68 -2.24 -0.08 -1.26 -1.39 116.55 115.61 2dad n ASP 33 Ca 0.46 -0.06 -0.27 0.00 -1.51 0.00 0.00 54.79 53.41 2dad n ASP 33 Cb 0.31 -4.04 -0.03 0.00 2.34 0.00 0.00 41.12 39.71 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 -2.09 -2.72 -4.64 1.67 3.41 0.14 -4.77 113.62 104.62 2dad n SER 34 Ca -0.14 -0.58 -0.49 0.00 -0.26 0.00 0.00 58.87 57.40 2dad n SER 34 Cb 0.62 -2.30 -0.05 0.00 -0.26 0.00 0.00 64.21 62.22 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 -3.81 2.18 -0.74 7.33 1.16 -0.48 -4.85 117.46 118.24 2dad n PHE 35 Ca 0.04 0.06 -0.33 0.00 -1.87 0.00 0.00 57.45 55.35 2dad n PHE 35 Cb 0.50 -2.64 0.14 0.00 -1.61 0.00 0.00 39.48 35.88 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 7.48 -2.28 -3.56 5.98 3.41 -1.26 -4.73 113.62 118.66 2dad n SER 36 Ca 0.26 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 2dad n SER 36 Cb 0.29 -1.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.06 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 -2.31 -0.62 -0.07 6.66 2.01 -1.26 -4.03 115.64 116.01 2dad s THR 37 Ca 0.56 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.77 2dad s THR 37 Cb -0.17 -0.69 -0.24 0.00 0.01 0.00 0.00 72.50 71.41 2dad s THR 37 CO 0.67 0.02 0.55 0.29 -0.69 0.00 0.00 174.62 175.45 2dad n LYS 38 N 5.38 0.66 -4.29 4.92 5.02 -1.19 -4.85 118.16 123.81 2dad n LYS 38 Ca -0.07 0.26 -0.20 0.00 -2.02 0.00 0.00 58.31 56.29 2dad n LYS 38 Cb 0.50 -1.75 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 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 -6.16 2.35 0.16 4.39 1.04 -1.24 -1.96 113.70 112.27 2dad s SER 39 Ca -0.08 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.41 2dad s SER 39 Cb 0.08 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2dad s SER 39 CO 0.81 -0.10 0.26 0.00 0.98 0.00 0.00 173.24 175.19 2dad s ARG 41 N -3.97 0.51 -0.06 0.00 3.52 0.35 -1.14 118.95 118.17 2dad s ARG 41 Ca 0.17 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.81 2dad s ARG 41 Cb 0.04 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 2dad s ARG 41 CO -0.01 -0.91 0.70 0.08 -0.81 0.00 0.00 175.30 174.36 2dad s VAL 42 N 1.84 5.04 -0.28 7.11 1.01 -1.20 -0.61 120.40 133.31 2dad s VAL 42 Ca 0.07 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 2dad s VAL 42 Cb -0.17 -4.04 0.17 0.00 0.00 0.00 0.00 36.38 32.34 2dad s VAL 42 CO -0.25 0.26 0.50 -0.55 0.00 0.00 0.00 175.10 175.06 2dad s SER 43 N 0.75 -0.67 0.00 3.32 0.15 0.48 -2.33 113.70 115.40 2dad s SER 43 Ca 0.37 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2dad s SER 43 Cb -0.18 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 2dad s SER 43 CO 0.18 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dad n GLY 44 N 5.40 2.06 0.00 9.45 0.00 -1.26 -0.26 105.19 120.58 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 0.00 -1.49 3.90 -0.02 0.00 -1.26 -3.48 105.19 102.85 2dad n GLY 45 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.62 6.35 -0.09 1.61 0.01 -0.50 -4.24 113.70 113.21 2dad s SER 46 Ca 0.00 0.94 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 2dad s SER 46 Cb 0.00 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 64.03 2dad s SER 46 CO 0.00 -0.48 0.18 0.26 0.41 0.00 0.00 173.24 173.61 2dad s TRP 47 N -2.57 -0.23 -0.40 2.43 0.52 -0.97 -1.91 118.94 115.81 2dad s TRP 47 Ca 0.48 0.69 -0.23 0.00 0.02 0.00 0.00 56.10 57.06 2dad s TRP 47 Cb -0.10 -0.21 0.01 0.00 -1.15 0.00 0.00 33.47 32.02 2dad s TRP 47 CO 0.39 -0.29 0.76 0.08 0.02 0.00 0.00 176.95 177.92 2dad s VAL 48 N 2.31 4.72 -0.41 4.03 1.01 0.75 -0.80 120.40 132.00 2dad s VAL 48 Ca 0.03 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2dad s VAL 48 Cb -0.12 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2dad s VAL 48 CO -0.06 -0.52 0.42 0.68 0.00 0.00 0.00 175.10 175.62 2dad s VAL 49 N 3.12 5.10 -0.15 2.92 -7.23 0.64 -1.92 120.40 122.88 2dad s VAL 49 Ca 0.30 -0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 2dad s VAL 49 Cb -0.13 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 32.75 2dad s VAL 49 CO 0.19 -0.39 0.18 -0.31 -0.31 0.00 0.00 175.10 174.46 2dad s TYR 50 N 2.10 3.51 -0.12 2.82 1.51 -0.43 -3.04 117.35 123.71 2dad s TYR 50 Ca 0.12 0.49 0.29 0.00 -1.01 0.00 0.00 57.07 56.96 2dad s TYR 50 Cb -0.17 -2.13 1.30 0.00 -0.11 0.00 0.00 41.96 40.85 2dad s TYR 50 CO 0.13 0.46 1.88 0.38 -1.11 0.00 0.00 175.55 177.29 2dad h ASP 51 N 5.95 0.00 -1.93 2.29 2.03 -1.74 0.23 116.42 123.25 2dad h ASP 51 Ca -0.47 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.29 2dad h ASP 51 Cb 1.18 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.61 2dad h ASP 51 CO 0.69 0.00 -0.54 -0.83 -1.03 0.00 0.00 179.24 177.52 2dad s GLY 52 N -3.84 1.86 0.51 7.15 0.00 -1.20 -4.35 107.32 107.45 2dad s GLY 52 Ca 0.01 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.79 2dad s GLY 52 CO 0.43 -1.72 1.00 -0.54 0.00 0.00 0.00 173.10 172.26 2dad s GLU 53 N -3.84 3.88 -1.08 2.90 0.41 -1.26 -3.60 118.70 116.11 2dad s GLU 53 Ca 0.37 1.06 -0.05 0.00 -0.41 0.00 0.00 54.97 55.94 2dad s GLU 53 Cb -0.04 -2.12 0.01 0.00 -1.78 0.00 0.00 34.13 30.20 2dad s GLU 53 CO 0.23 -0.33 0.63 0.09 -0.49 0.00 0.00 175.26 175.39 2dad n ASN 54 N -1.44 -5.05 -3.90 -0.19 3.02 -1.24 -2.66 115.26 103.79 2dad n ASN 54 Ca 0.07 -0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 54.05 2dad n ASN 54 Cb 0.54 -3.79 0.02 0.00 -0.61 0.00 0.00 39.78 35.94 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 -4.25 -2.13 -3.01 3.10 3.72 -1.25 -4.97 117.46 108.67 2dad n PHE 55 Ca -0.04 0.87 -0.19 0.00 -0.05 0.00 0.00 57.45 58.04 2dad n PHE 55 Cb 0.57 -3.96 0.04 0.00 -0.94 0.00 0.00 39.48 35.20 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 -3.42 2.49 0.00 4.37 -4.23 -1.09 -4.99 115.64 108.78 2dad s THR 56 Ca 0.49 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2dad s THR 56 Cb -0.25 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2dad s THR 56 CO 0.84 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 2dad n GLY 57 N -2.10 1.11 3.74 3.99 0.00 -1.26 -3.23 105.19 107.43 2dad n GLY 57 Ca 0.12 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 3.55 -0.06 1.61 0.01 -1.26 -4.96 114.94 109.84 2dad s ASN 58 Ca 0.00 1.35 -0.03 0.00 -0.71 0.00 0.00 52.86 53.48 2dad s ASN 58 Cb 0.00 -2.03 0.04 0.00 0.41 0.00 0.00 41.25 39.67 2dad s ASN 58 CO 0.00 -2.57 0.13 0.00 -1.51 0.00 0.00 177.10 173.15 2dad s GLN 59 N -5.02 0.08 -0.11 -0.60 -2.07 -1.26 -3.88 119.66 106.80 2dad s GLN 59 Ca 0.63 0.35 -0.02 0.00 -1.82 0.00 0.00 55.36 54.50 2dad s GLN 59 Cb -0.17 -0.19 0.04 0.00 -1.09 0.00 0.00 33.01 31.60 2dad s GLN 59 CO 0.56 -0.17 0.03 0.71 -1.32 0.00 0.00 175.29 175.10 2dad s TYR 60 N 1.17 0.62 0.20 9.60 1.51 -1.17 -4.95 117.35 124.33 2dad s TYR 60 Ca -0.09 -0.30 -0.17 0.00 -1.01 0.00 0.00 57.07 55.50 2dad s TYR 60 Cb -0.12 -0.80 -0.08 0.00 -0.11 0.00 0.00 41.96 40.85 2dad s TYR 60 CO -0.06 -0.40 0.65 0.14 -1.11 0.00 0.00 175.55 174.77 2dad s VAL 61 N 1.99 4.71 -0.16 0.71 -7.23 -1.26 -0.26 120.40 118.91 2dad s VAL 61 Ca 0.03 1.04 0.02 0.00 -1.81 0.00 0.00 61.98 61.26 2dad s VAL 61 Cb -0.14 -3.78 0.02 0.00 0.56 0.00 0.00 36.38 33.03 2dad s VAL 61 CO -0.06 0.19 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.95 2dad s LEU 62 N -2.05 2.08 0.72 1.32 1.43 0.02 -4.86 118.68 117.34 2dad s LEU 62 Ca 0.42 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2dad s LEU 62 Cb -0.15 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2dad s LEU 62 CO 0.20 0.03 1.07 -1.61 0.23 0.00 0.00 176.35 176.28 2dad s GLU 63 N 1.07 2.35 -0.18 1.70 2.02 -1.26 -2.30 118.70 122.10 2dad s GLU 63 Ca -0.01 0.05 -0.32 0.00 0.02 0.00 0.00 54.97 54.71 2dad s GLU 63 Cb -0.14 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 2dad s GLU 63 CO -0.07 -1.25 2.07 -1.91 0.02 0.00 0.00 175.26 174.12 2dad n GLU 64 N -3.03 1.92 0.00 1.61 2.13 -1.26 -4.53 120.64 117.48 2dad n GLU 64 Ca 0.07 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.52 2dad n GLU 64 Cb 0.60 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.50 2dad n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dad n GLY 65 N 5.33 3.01 3.65 8.31 0.00 -0.98 -4.98 105.19 119.53 2dad n GLY 65 Ca 0.29 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.11 2.66 -0.44 1.61 3.76 -1.26 -3.27 115.29 117.25 2dad s HIS 66 Ca 0.00 0.86 -0.08 0.00 -0.15 0.00 0.00 55.06 55.69 2dad s HIS 66 Cb 0.00 -3.67 0.10 0.00 1.11 0.00 0.00 32.58 30.12 2dad s HIS 66 CO 0.00 -2.03 0.28 0.71 -0.85 0.00 0.00 174.74 172.85 2dad s TYR 67 N 3.87 3.42 0.32 1.40 2.02 -0.29 -4.94 117.35 123.16 2dad s TYR 67 Ca 0.58 -1.87 0.12 0.00 -0.37 0.00 0.00 57.07 55.54 2dad s TYR 67 Cb -0.22 -3.22 0.57 0.00 -0.40 0.00 0.00 41.96 38.70 2dad s TYR 67 CO 0.19 -0.94 1.73 -1.00 -1.57 0.00 0.00 175.55 173.97 2dad h PRO 68 N 8.34 0.00 -4.97 -1.71 0.13 -1.91 -1.99 132.00 129.89 2dad h PRO 68 Ca -0.20 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.43 2dad h PRO 68 Cb 1.07 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.07 2dad h PRO 68 CO 0.78 0.47 -0.53 0.00 -0.23 0.00 0.00 178.00 178.50 2dad h LEU 70 N 1.99 0.20 -0.84 0.00 3.38 -1.72 -3.34 115.31 114.98 2dad h LEU 70 Ca -0.33 -0.97 0.08 0.00 0.09 0.00 0.00 57.88 56.75 2dad h LEU 70 Cb 1.26 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 2dad h LEU 70 CO 0.52 1.16 -0.56 -1.28 0.09 0.00 0.00 178.44 178.36 2dad h SER 71 N -0.72 -2.02 -1.16 -0.43 0.87 -1.89 0.86 113.55 109.05 2dad h SER 71 Ca -0.06 0.30 0.33 0.00 -1.23 0.00 0.00 61.79 61.13 2dad h SER 71 Cb 1.27 0.89 -0.09 0.00 -0.44 0.00 0.00 62.40 64.02 2dad h SER 71 CO 0.06 -0.28 0.77 0.00 -0.53 0.00 0.00 176.83 176.85 2dad h ALA 72 N 0.42 2.57 0.00 6.23 0.00 -1.93 1.15 119.26 127.70 2dad h ALA 72 Ca 0.15 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2dad h ALA 72 Cb 0.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2dad h ALA 72 CO -0.85 -1.02 -0.54 0.52 0.00 0.00 0.00 179.25 177.36 2dad h MET 73 N 0.23 0.00 0.00 0.00 2.07 0.56 -3.47 114.93 114.32 2dad h MET 73 Ca 0.65 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.28 2dad h MET 73 Cb 1.96 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.69 2dad h MET 73 CO -0.26 0.54 0.00 0.41 1.07 0.00 0.00 176.91 178.67 2dad n GLY 74 N 0.67 0.94 3.86 8.32 0.00 0.40 -5.00 105.19 114.37 2dad n GLY 74 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.15 2.09 -0.88 0.00 0.04 -1.26 -4.15 135.00 127.69 2dad s PRO 76 Ca 0.32 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 2dad s PRO 76 Cb -0.10 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2dad s PRO 76 CO 0.25 -1.75 1.94 -1.25 0.04 0.00 0.00 177.00 176.24 2dad s PRO 77 N -4.91 2.56 0.00 0.56 0.04 -1.26 -3.02 135.00 128.98 2dad s PRO 77 Ca 0.62 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2dad s PRO 77 Cb -0.17 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2dad s PRO 77 CO 0.56 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.68 2dad n GLY 78 N 6.78 1.00 3.47 0.56 0.00 -1.26 -5.10 105.19 110.63 2dad n GLY 78 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.80 3.43 -0.50 4.61 0.00 -1.17 -5.03 121.76 121.30 2dad s ALA 79 Ca 0.00 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.19 2dad s ALA 79 Cb 0.00 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.10 2dad s ALA 79 CO 0.00 -1.67 0.51 0.99 0.00 0.00 0.00 175.76 175.59 2dad s THR 80 N 2.17 5.08 0.30 0.00 2.01 -1.26 -4.37 115.64 119.57 2dad s THR 80 Ca 0.12 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 2dad s THR 80 Cb -0.18 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 67.98 2dad s THR 80 CO 0.13 -0.74 1.49 -0.36 -0.69 0.00 0.00 174.62 174.45 2dad s PHE 81 N 2.05 2.82 -0.01 4.92 0.08 -1.26 -4.45 117.98 122.13 2dad s PHE 81 Ca 0.08 1.02 0.02 0.00 0.12 0.00 0.00 56.93 58.17 2dad s PHE 81 Cb -0.23 -3.94 -0.03 0.00 -0.57 0.00 0.00 43.02 38.24 2dad s PHE 81 CO 0.08 -2.98 0.03 1.63 -0.10 0.00 0.00 175.22 173.87 2dad n LYS 82 N 1.65 1.83 -3.87 0.44 5.02 0.79 -4.69 118.16 119.33 2dad n LYS 82 Ca 0.05 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2dad n LYS 82 Cb 0.39 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.77 0.03 0.22 4.39 1.04 -1.09 -1.13 113.70 114.39 2dad s SER 83 Ca -0.01 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.25 2dad s SER 83 Cb 0.01 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2dad s SER 83 CO 0.09 -0.42 -0.16 -0.76 0.98 0.00 0.00 173.24 172.97 2dad s LEU 84 N -1.59 2.55 -0.17 2.42 1.43 0.13 -1.31 118.68 122.14 2dad s LEU 84 Ca -0.12 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 2dad s LEU 84 Cb -0.06 -0.79 0.08 0.00 0.03 0.00 0.00 46.19 45.46 2dad s LEU 84 CO 0.00 -0.11 0.36 -0.60 0.23 0.00 0.00 176.35 176.23 2dad s ARG 85 N -3.53 0.26 -0.01 1.70 3.52 -0.81 -3.24 118.95 116.83 2dad s ARG 85 Ca 0.24 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 2dad s ARG 85 Cb -0.02 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2dad s ARG 85 CO 0.09 -0.26 0.96 0.12 -0.81 0.00 0.00 175.30 175.40 2dad s PHE 86 N 2.51 3.64 0.00 5.12 5.36 -1.26 -0.18 117.98 133.17 2dad s PHE 86 Ca -0.01 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 2dad s PHE 86 Cb -0.12 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 2dad s PHE 86 CO -0.11 -0.02 0.00 -0.89 -1.46 0.00 0.00 175.22 172.74 2dad n ILE 87 N 3.95 0.00 -3.55 3.12 2.08 -0.80 -4.99 119.36 119.17 2dad n ILE 87 Ca 0.06 0.47 -0.07 0.00 0.56 0.00 0.00 62.75 63.77 2dad n ILE 87 Cb 0.51 -1.45 -0.02 0.00 -0.75 0.00 0.00 39.64 37.93 2dad n ILE 87 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2dad s SER 88 N -3.53 -0.29 0.70 4.38 1.04 -1.26 -4.93 113.70 109.80 2dad s SER 88 Ca 0.00 -0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 2dad s SER 88 Cb 0.00 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.50 2dad s SER 88 CO 0.00 -0.56 1.05 -0.83 0.98 0.00 0.00 173.24 173.88 2dad s GLY 89 N -2.48 1.63 0.36 7.32 0.00 -1.23 -1.42 107.32 111.50 2dad s GLY 89 Ca 0.07 -0.62 0.15 0.00 0.00 0.00 0.00 44.72 44.32 2dad s GLY 89 CO -0.07 -0.23 1.77 -0.56 0.00 0.00 0.00 173.10 174.00 2dad h PRO 90 N -0.62 0.00 0.08 2.90 0.13 -1.94 -3.15 132.00 129.41 2dad h PRO 90 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 2dad h PRO 90 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2dad h PRO 90 CO 0.63 0.42 -2.16 -1.13 -0.23 0.00 0.00 178.00 175.52 2dad n SER 91 N -3.83 2.04 -0.28 1.44 3.41 -1.26 -4.31 113.62 110.84 2dad n SER 91 Ca -0.01 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.78 2dad n SER 91 Cb 0.47 -0.69 0.24 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.05 0.18 0.00 4.04 0.87 -1.95 -3.54 113.55 113.20 2dad h SER 92 Ca -0.48 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dad h SER 92 Cb 1.99 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 64.11 2dad h SER 92 CO 0.03 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.93