#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 6.87 1.01 1.61 0.01 -1.26 -5.06 113.70 116.88 2dad s SER 2 Ca 0.00 1.04 -0.11 0.00 1.31 0.00 0.00 55.95 58.19 2dad s SER 2 Cb 0.00 -2.30 0.20 0.00 0.21 0.00 0.00 66.02 64.13 2dad s SER 2 CO 0.00 0.22 1.10 -0.55 0.41 0.00 0.00 173.24 174.43 2dad s SER 3 N -0.66 2.15 0.44 2.44 0.15 -1.26 -5.05 113.70 111.91 2dad s SER 3 Ca 0.26 1.97 0.02 0.00 0.70 0.00 0.00 55.95 58.90 2dad s SER 3 Cb -0.17 -2.49 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2dad s SER 3 CO 0.15 -3.55 0.07 0.61 1.20 0.00 0.00 173.24 171.72 2dad n GLY 4 N 0.48 3.44 0.11 9.45 0.00 -1.26 -5.07 105.19 112.34 2dad n GLY 4 Ca 0.09 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.68 2dad n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dad h SER 5 N 1.35 0.38 -2.29 1.61 4.64 -1.96 -3.45 113.55 113.82 2dad h SER 5 Ca -0.35 -0.94 -0.55 0.00 -0.47 0.00 0.00 61.79 59.48 2dad h SER 5 Cb 1.19 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2dad h SER 5 CO 0.57 1.29 1.19 -1.20 -0.87 0.00 0.00 176.83 177.82 2dad n SER 6 N -4.24 4.00 -4.47 4.97 7.64 -1.26 -4.80 113.62 115.46 2dad n SER 6 Ca -0.13 0.93 -0.39 0.00 1.01 0.00 0.00 58.87 60.29 2dad n SER 6 Cb 0.74 -1.49 0.03 0.00 -1.01 0.00 0.00 64.21 62.47 2dad n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dad n GLY 7 N 4.49 -1.43 3.50 0.23 0.00 -1.18 -4.83 105.19 105.97 2dad n GLY 7 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.97 0.88 0.14 1.61 -0.44 0.15 -4.78 119.66 115.25 2dad s GLN 8 Ca 0.67 0.50 0.09 0.00 -2.50 0.00 0.00 55.36 54.12 2dad s GLN 8 Cb -0.48 0.42 -0.04 0.00 -1.64 0.00 0.00 33.01 31.26 2dad s GLN 8 CO 0.55 -0.20 -0.20 -1.50 0.50 0.00 0.00 175.29 174.44 2dad s ILE 9 N -0.50 1.86 -0.22 -2.34 2.07 -0.43 -1.00 121.20 120.63 2dad s ILE 9 Ca -0.06 -1.79 -0.03 0.00 -1.41 0.00 0.00 60.65 57.36 2dad s ILE 9 Cb -0.03 -1.78 0.07 0.00 0.13 0.00 0.00 42.46 40.86 2dad s ILE 9 CO 0.05 -0.19 0.07 -2.28 -1.91 0.00 0.00 174.94 170.69 2dad s HIS 10 N -1.65 0.86 0.30 3.50 5.65 0.12 -0.95 115.29 123.11 2dad s HIS 10 Ca 0.13 -0.89 -0.06 0.00 0.25 0.00 0.00 55.06 54.48 2dad s HIS 10 Cb -0.08 -1.05 -0.06 0.00 -1.18 0.00 0.00 32.58 30.22 2dad s HIS 10 CO 0.06 -0.67 0.59 -0.51 -0.65 0.00 0.00 174.74 173.56 2dad s LEU 11 N 1.91 4.03 -0.10 8.88 2.01 0.11 0.77 118.68 136.29 2dad s LEU 11 Ca 0.03 0.81 -0.01 0.00 0.01 0.00 0.00 54.13 54.96 2dad s LEU 11 Cb -0.17 -3.63 0.03 0.00 0.01 0.00 0.00 46.19 42.43 2dad s LEU 11 CO -0.16 -0.22 -0.01 -0.36 1.01 0.00 0.00 176.35 176.62 2dad s PHE 12 N -2.11 0.89 0.27 0.29 0.08 -0.28 -0.19 117.98 116.93 2dad s PHE 12 Ca 0.46 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 2dad s PHE 12 Cb -0.11 -0.92 0.59 0.00 -0.57 0.00 0.00 43.02 42.01 2dad s PHE 12 CO 0.29 -0.40 1.71 1.03 -0.10 0.00 0.00 175.22 177.75 2dad h SER 13 N 8.29 0.31 -2.55 1.36 0.87 0.21 -2.70 113.55 119.33 2dad h SER 13 Ca -0.21 0.13 -0.54 0.00 -1.23 0.00 0.00 61.79 59.93 2dad h SER 13 Cb 1.12 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 2dad h SER 13 CO 0.30 0.06 -0.51 -1.61 -0.53 0.00 0.00 176.83 174.54 2dad s GLU 14 N -5.96 3.17 0.85 2.24 2.02 -1.05 -3.56 118.70 116.40 2dad s GLU 14 Ca -0.12 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 53.99 2dad s GLU 14 Cb 0.23 -2.79 0.10 0.00 0.10 0.00 0.00 34.13 31.77 2dad s GLU 14 CO 0.77 0.49 1.09 -1.25 0.02 0.00 0.00 175.26 176.38 2dad s PRO 15 N -3.30 1.65 -1.37 0.39 0.04 -1.26 -3.04 135.00 128.11 2dad s PRO 15 Ca 0.33 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2dad s PRO 15 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2dad s PRO 15 CO 0.26 -2.01 0.28 1.04 0.04 0.00 0.00 177.00 176.62 2dad n GLN 16 N -3.74 -2.89 -3.81 4.56 6.02 -0.27 -2.52 117.38 114.73 2dad n GLN 16 Ca 0.08 0.79 -0.26 0.00 -0.01 0.00 0.00 57.00 57.60 2dad n GLN 16 Cb 0.54 -5.28 0.03 0.00 1.02 0.00 0.00 30.24 26.54 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 -4.43 1.08 3.72 -1.25 -4.98 117.46 105.35 2dad n PHE 17 Ca -0.14 0.86 -0.31 0.00 -0.05 0.00 0.00 57.45 57.82 2dad n PHE 17 Cb 0.62 -4.16 -0.05 0.00 -0.94 0.00 0.00 39.48 34.95 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 -6.31 2.22 3.17 -1.08 -1.52 -1.05 -5.05 119.66 110.05 2dad s GLN 18 Ca 0.30 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.45 2dad s GLN 18 Cb -0.15 -1.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 2dad s GLN 18 CO 0.83 -0.46 0.00 0.41 -0.25 0.00 0.00 175.29 175.81 2dad n GLY 19 N -1.46 0.96 3.73 3.09 0.00 -1.26 -2.53 105.19 107.72 2dad n GLY 19 Ca -0.13 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 2.16 -0.10 1.61 3.76 -1.26 -4.78 115.29 116.68 2dad s HIS 20 Ca 0.00 1.60 -0.08 0.00 -0.15 0.00 0.00 55.06 56.43 2dad s HIS 20 Cb 0.00 -3.40 0.03 0.00 1.11 0.00 0.00 32.58 30.33 2dad s HIS 20 CO 0.00 -2.41 0.25 -1.12 -0.85 0.00 0.00 174.74 170.61 2dad s SER 21 N -2.19 -0.26 -0.09 1.40 0.01 -1.26 0.77 113.70 112.06 2dad s SER 21 Ca 0.72 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2dad s SER 21 Cb -0.27 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2dad s SER 21 CO 0.45 -0.11 -0.07 -1.10 0.41 0.00 0.00 173.24 172.82 2dad s GLN 22 N 0.43 1.40 -0.09 12.44 -0.21 0.74 -4.95 119.66 129.42 2dad s GLN 22 Ca -0.02 -0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.09 2dad s GLN 22 Cb -0.04 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.51 2dad s GLN 22 CO -0.02 -0.20 0.03 -1.54 -2.12 0.00 0.00 175.29 171.44 2dad s SER 23 N 1.48 5.50 -0.02 5.90 1.04 -1.26 0.08 113.70 126.42 2dad s SER 23 Ca 0.00 0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.70 2dad s SER 23 Cb -0.13 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.36 2dad s SER 23 CO -0.05 0.38 -0.17 -0.36 0.98 0.00 0.00 173.24 174.02 2dad s PHE 24 N -0.91 1.57 -0.11 5.02 0.40 -0.13 -4.97 117.98 118.85 2dad s PHE 24 Ca 0.14 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2dad s PHE 24 Cb -0.11 -1.02 -0.11 0.00 0.51 0.00 0.00 43.02 42.28 2dad s PHE 24 CO 0.03 -0.05 -0.02 -1.91 0.70 0.00 0.00 175.22 173.98 2dad n GLU 25 N 2.72 1.65 -3.58 0.44 2.13 -1.26 -1.32 120.64 121.42 2dad n GLU 25 Ca -0.15 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.49 2dad n GLU 25 Cb 0.54 -1.26 -0.02 0.00 0.27 0.00 0.00 31.44 30.97 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 -2.25 2.86 -0.36 5.31 0.41 -1.26 -4.79 118.70 118.61 2dad s GLU 26 Ca -0.09 -1.21 -0.28 0.00 -0.41 0.00 0.00 54.97 52.98 2dad s GLU 26 Cb 0.04 -2.62 -0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2dad s GLU 26 CO 0.38 0.02 2.01 0.99 -0.49 0.00 0.00 175.26 178.16 2dad s THR 27 N -2.28 3.27 0.16 3.63 2.01 -1.26 -4.81 115.64 116.36 2dad s THR 27 Ca 0.45 0.25 -0.06 0.00 0.31 0.00 0.00 61.69 62.64 2dad s THR 27 Cb -0.07 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2dad s THR 27 CO 0.29 -0.32 0.42 -0.89 -0.69 0.00 0.00 174.62 173.43 2dad s THR 28 N 8.33 5.11 -0.02 -0.82 2.01 -1.00 -4.95 115.64 124.30 2dad s THR 28 Ca 0.86 0.14 0.02 0.00 0.31 0.00 0.00 61.69 63.02 2dad s THR 28 Cb -0.23 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2dad s THR 28 CO 0.31 0.01 0.06 -1.20 -0.69 0.00 0.00 174.62 173.11 2dad n SER 29 N 0.03 3.66 -3.97 3.53 7.64 -1.26 0.46 113.62 123.71 2dad n SER 29 Ca -0.02 -0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.61 2dad n SER 29 Cb 0.52 1.08 -0.14 0.00 -1.01 0.00 0.00 64.21 64.66 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dad s GLN 30 N -1.97 0.43 0.01 1.43 2.00 -1.04 -2.84 119.66 117.69 2dad s GLN 30 Ca -0.01 -0.29 0.02 0.00 -2.00 0.00 0.00 55.36 53.09 2dad s GLN 30 Cb 0.01 -0.37 -0.04 0.00 0.80 0.00 0.00 33.01 33.41 2dad s GLN 30 CO 0.09 0.10 0.02 0.42 -0.50 0.00 0.00 175.29 175.42 2dad s ILE 31 N -0.35 4.24 -0.60 -2.34 -1.09 -0.73 -4.87 121.20 115.46 2dad s ILE 31 Ca -0.00 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2dad s ILE 31 Cb -0.03 -2.93 -0.12 0.00 -1.58 0.00 0.00 42.46 37.80 2dad s ILE 31 CO -0.00 0.33 2.44 0.47 -1.23 0.00 0.00 174.94 176.95 2dad n ASP 32 N 1.20 1.71 -2.71 3.58 8.00 -1.26 -0.73 116.55 126.35 2dad n ASP 32 Ca -0.13 -0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.11 2dad n ASP 32 Cb 0.52 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 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 12.82 -4.85 -3.68 -2.24 2.03 -1.26 -1.39 116.55 117.97 2dad n ASP 33 Ca 0.46 -0.06 -0.27 0.00 0.52 0.00 0.00 54.79 55.45 2dad n ASP 33 Cb 0.32 -4.03 -0.03 0.00 -0.72 0.00 0.00 41.12 36.66 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 -2.09 -2.70 -4.62 1.67 3.41 0.09 -4.75 113.62 104.63 2dad n SER 34 Ca -0.14 -0.58 -0.51 0.00 -0.26 0.00 0.00 58.87 57.38 2dad n SER 34 Cb 0.62 -2.28 -0.06 0.00 -0.26 0.00 0.00 64.21 62.23 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 2.04 -0.76 7.33 1.16 -0.48 -4.80 117.46 118.14 2dad n PHE 35 Ca 0.04 0.21 -0.32 0.00 -1.87 0.00 0.00 57.45 55.50 2dad n PHE 35 Cb 0.50 -2.58 0.13 0.00 -1.61 0.00 0.00 39.48 35.93 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 7.44 -1.62 -3.62 5.98 3.41 -1.26 -4.67 113.62 119.29 2dad n SER 36 Ca 0.29 0.33 -0.18 0.00 -0.26 0.00 0.00 58.87 59.06 2dad n SER 36 Cb 0.24 -1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 62.79 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 -2.44 -0.28 -0.01 6.66 2.01 -1.25 -4.05 115.64 116.28 2dad s THR 37 Ca 0.59 0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.89 2dad s THR 37 Cb -0.21 -0.43 -0.22 0.00 0.01 0.00 0.00 72.50 71.65 2dad s THR 37 CO 0.66 0.02 0.82 0.11 -0.69 0.00 0.00 174.62 175.53 2dad h LYS 38 N 8.35 0.00 -4.96 4.92 1.57 -1.53 -3.45 116.57 121.47 2dad h LYS 38 Ca -0.14 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.33 2dad h LYS 38 Cb 1.13 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.28 2dad h LYS 38 CO 0.19 0.60 -0.72 -1.54 -0.57 0.00 0.00 179.45 177.41 2dad s SER 39 N -6.23 1.55 0.25 0.86 1.04 -1.22 -1.19 113.70 108.76 2dad s SER 39 Ca -0.03 -0.94 -0.05 0.00 0.48 0.00 0.00 55.95 55.41 2dad s SER 39 Cb 0.08 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2dad s SER 39 CO 0.82 -0.33 0.33 0.00 0.98 0.00 0.00 173.24 175.04 2dad s ARG 41 N -3.86 -0.05 -0.15 0.00 3.52 0.23 -2.92 118.95 115.72 2dad s ARG 41 Ca 0.32 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 56.24 2dad s ARG 41 Cb 0.03 -0.57 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 2dad s ARG 41 CO 0.13 -0.35 0.03 0.08 -0.81 0.00 0.00 175.30 174.39 2dad s VAL 42 N 2.19 4.54 -0.24 7.11 1.01 -1.23 0.11 120.40 133.89 2dad s VAL 42 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2dad s VAL 42 Cb -0.12 -2.99 0.12 0.00 0.00 0.00 0.00 36.38 33.38 2dad s VAL 42 CO -0.04 0.52 0.30 -0.55 0.00 0.00 0.00 175.10 175.33 2dad s SER 43 N -0.08 1.00 0.00 3.32 0.15 -0.17 -2.89 113.70 115.03 2dad s SER 43 Ca 0.05 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dad s SER 43 Cb -0.12 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2dad s SER 43 CO 0.02 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2dad n GLY 44 N 5.33 0.39 0.00 9.45 0.00 -1.26 0.31 105.19 119.41 2dad n GLY 44 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.75 2.12 3.89 -0.02 0.00 -1.26 -3.13 105.19 106.03 2dad n GLY 45 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 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 5.90 -0.04 1.61 0.01 -1.26 -4.46 113.70 115.46 2dad s SER 46 Ca 0.00 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.34 2dad s SER 46 Cb 0.00 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.14 2dad s SER 46 CO 0.00 -0.96 -0.03 0.26 0.41 0.00 0.00 173.24 172.92 2dad s TRP 47 N -3.08 0.67 -0.18 2.43 0.52 -0.94 -2.12 118.94 116.24 2dad s TRP 47 Ca 0.54 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 56.42 2dad s TRP 47 Cb -0.11 -0.63 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2dad s TRP 47 CO 0.49 -0.19 0.04 0.08 0.02 0.00 0.00 176.95 177.40 2dad s VAL 48 N 0.98 4.59 -0.24 4.03 1.01 -0.80 0.02 120.40 129.99 2dad s VAL 48 Ca -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2dad s VAL 48 Cb -0.14 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2dad s VAL 48 CO -0.00 0.46 -0.13 0.68 0.00 0.00 0.00 175.10 176.11 2dad s VAL 49 N 0.45 2.21 0.04 2.92 -7.23 -0.65 -0.81 120.40 117.33 2dad s VAL 49 Ca 0.02 -1.41 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 2dad s VAL 49 Cb -0.13 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 2dad s VAL 49 CO 0.01 0.13 0.42 -0.31 -0.31 0.00 0.00 175.10 175.05 2dad s TYR 50 N 1.17 3.67 -0.76 2.82 1.51 -0.69 -2.50 117.35 122.58 2dad s TYR 50 Ca -0.05 0.94 0.23 0.00 -1.01 0.00 0.00 57.07 57.18 2dad s TYR 50 Cb -0.18 -2.26 0.90 0.00 -0.11 0.00 0.00 41.96 40.31 2dad s TYR 50 CO -0.07 0.59 1.70 -0.40 -1.11 0.00 0.00 175.55 176.26 2dad n ASP 51 N 1.44 0.42 -4.83 2.29 5.75 -1.25 -0.26 116.55 120.10 2dad n ASP 51 Ca -0.11 0.58 -0.22 0.00 -0.01 0.00 0.00 54.79 55.02 2dad n ASP 51 Cb 0.52 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 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 -3.33 2.12 0.39 6.12 0.00 -0.47 -4.45 107.32 107.71 2dad s GLY 52 Ca 0.08 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.76 2dad s GLY 52 CO 0.43 -1.73 0.79 -0.54 0.00 0.00 0.00 173.10 172.05 2dad s GLU 53 N -4.04 3.90 -1.29 2.90 2.02 -1.26 -3.75 118.70 117.18 2dad s GLU 53 Ca 0.45 0.63 -0.04 0.00 0.02 0.00 0.00 54.97 56.03 2dad s GLU 53 Cb -0.02 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2dad s GLU 53 CO 0.26 0.01 0.51 0.09 0.02 0.00 0.00 175.26 176.15 2dad n ASN 54 N -0.95 -5.36 -3.61 -0.19 3.02 -1.13 -2.63 115.26 104.42 2dad n ASN 54 Ca 0.04 -0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.14 2dad n ASN 54 Cb 0.54 -4.20 0.06 0.00 -0.61 0.00 0.00 39.78 35.57 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 -4.30 -2.17 -4.69 3.10 3.72 -1.26 -5.00 117.46 106.87 2dad n PHE 55 Ca -0.09 0.91 -0.32 0.00 -0.05 0.00 0.00 57.45 57.90 2dad n PHE 55 Cb 0.60 -4.70 -0.12 0.00 -0.94 0.00 0.00 39.48 34.32 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 -3.47 3.04 0.00 4.37 -4.23 -1.08 -5.03 115.64 109.24 2dad s THR 56 Ca 0.14 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2dad s THR 56 Cb -0.06 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2dad s THR 56 CO 0.77 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.88 2dad n GLY 57 N 1.76 -1.83 3.20 3.99 0.00 -1.26 -1.36 105.19 109.69 2dad n GLY 57 Ca -0.16 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 2dad n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dad n ASN 58 N 0.03 -2.93 -3.69 1.61 3.02 -1.26 -4.86 115.26 107.17 2dad n ASN 58 Ca 0.00 -0.40 -0.10 0.00 -0.03 0.00 0.00 54.58 54.05 2dad n ASN 58 Cb 0.00 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.12 2dad n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dad s GLN 59 N -3.94 0.43 -0.27 3.52 -2.07 -1.26 -3.93 119.66 112.13 2dad s GLN 59 Ca 0.54 0.81 0.02 0.00 -1.82 0.00 0.00 55.36 54.91 2dad s GLN 59 Cb -0.12 0.01 0.07 0.00 -1.09 0.00 0.00 33.01 31.88 2dad s GLN 59 CO 0.53 -0.15 -0.05 0.71 -1.32 0.00 0.00 175.29 175.01 2dad s TYR 60 N 1.33 3.06 -0.24 9.60 1.51 -1.04 -4.92 117.35 126.65 2dad s TYR 60 Ca -0.09 -2.28 -0.21 0.00 -1.01 0.00 0.00 57.07 53.48 2dad s TYR 60 Cb -0.08 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2dad s TYR 60 CO -0.12 -0.86 0.65 0.14 -1.11 0.00 0.00 175.55 174.25 2dad s VAL 61 N 1.16 4.97 -0.25 0.71 -7.23 -1.26 -1.64 120.40 116.88 2dad s VAL 61 Ca -0.03 1.20 -0.10 0.00 -1.81 0.00 0.00 61.98 61.24 2dad s VAL 61 Cb -0.19 -3.96 -0.05 0.00 0.56 0.00 0.00 36.38 32.74 2dad s VAL 61 CO -0.07 0.04 0.15 -0.76 -0.31 0.00 0.00 175.10 174.15 2dad s LEU 62 N 2.39 4.01 0.79 1.32 2.01 0.10 -4.89 118.68 124.41 2dad s LEU 62 Ca 0.28 0.05 -0.11 0.00 0.01 0.00 0.00 54.13 54.35 2dad s LEU 62 Cb -0.16 -2.08 0.06 0.00 0.01 0.00 0.00 46.19 44.02 2dad s LEU 62 CO 0.09 0.03 1.09 -1.61 1.01 0.00 0.00 176.35 176.96 2dad s GLU 63 N 1.25 2.17 -0.09 1.70 2.02 -1.26 -2.20 118.70 122.29 2dad s GLU 63 Ca 0.07 0.70 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 2dad s GLU 63 Cb -0.14 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.10 2dad s GLU 63 CO 0.06 -1.58 1.95 -2.00 0.02 0.00 0.00 175.26 173.72 2dad s GLU 64 N -5.13 3.80 0.00 1.61 -6.30 -1.26 -4.58 118.70 106.84 2dad s GLU 64 Ca 0.60 2.25 0.00 0.00 -2.50 0.00 0.00 54.97 55.33 2dad s GLU 64 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 34.13 29.80 2dad s GLU 64 CO 0.54 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.90 2dad n GLY 65 N 4.87 -0.74 2.71 -1.50 0.00 -1.14 -5.00 105.19 104.39 2dad n GLY 65 Ca 0.22 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.00 1.11 -0.52 1.61 -3.43 -1.26 -3.50 115.29 105.30 2dad s HIS 66 Ca 0.00 -1.08 -0.17 0.00 -0.80 0.00 0.00 55.06 53.02 2dad s HIS 66 Cb 0.00 -1.18 0.10 0.00 -1.43 0.00 0.00 32.58 30.07 2dad s HIS 66 CO 0.00 -0.70 0.51 0.71 -2.00 0.00 0.00 174.74 173.26 2dad s TYR 67 N 1.83 3.20 0.31 0.38 2.02 -1.15 -4.92 117.35 119.02 2dad s TYR 67 Ca 0.03 -1.07 0.13 0.00 -0.37 0.00 0.00 57.07 55.79 2dad s TYR 67 Cb -0.17 -3.62 0.61 0.00 -0.40 0.00 0.00 41.96 38.39 2dad s TYR 67 CO -0.16 -0.99 1.75 -1.00 -1.57 0.00 0.00 175.55 173.58 2dad h PRO 68 N 8.90 0.00 -4.77 -1.71 0.13 -1.91 -2.77 132.00 129.88 2dad h PRO 68 Ca -0.29 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.46 2dad h PRO 68 Cb 1.10 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 0.99 0.45 -0.53 0.00 -0.23 0.00 0.00 178.00 178.69 2dad h LEU 70 N 2.31 0.56 -0.58 0.00 3.38 -1.46 -3.32 115.31 116.20 2dad h LEU 70 Ca -0.29 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 57.05 2dad h LEU 70 Cb 1.24 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2dad h LEU 70 CO 0.42 1.15 -0.34 -1.28 0.09 0.00 0.00 178.44 178.48 2dad h SER 71 N 0.00 -1.26 -1.00 -0.43 0.87 -1.88 0.69 113.55 110.55 2dad h SER 71 Ca -0.05 0.19 0.30 0.00 -1.23 0.00 0.00 61.79 61.01 2dad h SER 71 Cb 1.18 0.56 -0.14 0.00 -0.44 0.00 0.00 62.40 63.55 2dad h SER 71 CO 0.10 -0.14 0.56 0.00 -0.53 0.00 0.00 176.83 176.83 2dad h ALA 72 N -0.13 1.89 0.00 6.23 0.00 -1.91 1.27 119.26 126.60 2dad h ALA 72 Ca 0.09 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2dad h ALA 72 Cb 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dad h ALA 72 CO -0.54 -0.50 -0.37 0.52 0.00 0.00 0.00 179.25 178.36 2dad h MET 73 N 0.37 0.00 0.00 0.00 2.07 0.04 -3.47 114.93 113.94 2dad h MET 73 Ca 0.71 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.34 2dad h MET 73 Cb 1.55 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.28 2dad h MET 73 CO -0.58 0.37 0.00 0.41 1.07 0.00 0.00 176.91 178.18 2dad n GLY 74 N 0.46 1.46 3.62 8.32 0.00 0.44 -4.90 105.19 114.58 2dad n GLY 74 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.70 0.80 -0.93 0.00 0.04 -1.26 -3.65 135.00 127.30 2dad s PRO 76 Ca 0.75 0.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 2dad s PRO 76 Cb -0.43 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2dad s PRO 76 CO 0.48 -2.52 1.95 -1.25 0.04 0.00 0.00 177.00 175.70 2dad s PRO 77 N -4.95 2.55 0.00 0.56 0.04 -1.26 -3.05 135.00 128.89 2dad s PRO 77 Ca 0.64 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2dad s PRO 77 Cb -0.18 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2dad s PRO 77 CO 0.57 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.58 2dad n GLY 78 N 6.75 0.96 3.93 0.56 0.00 -1.26 -5.14 105.19 110.99 2dad n GLY 78 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.30 3.66 -0.02 4.61 0.00 -1.17 -5.10 121.76 122.44 2dad s ALA 79 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2dad s ALA 79 Cb 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 23.12 20.96 2dad s ALA 79 CO 0.00 0.00 0.02 0.99 0.00 0.00 0.00 175.76 176.78 2dad s THR 80 N -2.31 -0.02 -0.01 0.00 2.01 -1.26 -3.91 115.64 110.15 2dad s THR 80 Ca 0.41 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.44 2dad s THR 80 Cb -0.10 -0.10 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 2dad s THR 80 CO 0.36 0.09 0.40 -0.36 -0.69 0.00 0.00 174.62 174.41 2dad s PHE 81 N 0.94 3.71 -0.02 4.92 0.08 -1.26 -4.18 117.98 122.17 2dad s PHE 81 Ca -0.08 0.97 0.04 0.00 0.12 0.00 0.00 56.93 57.98 2dad s PHE 81 Cb -0.12 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 2dad s PHE 81 CO -0.02 0.62 0.05 1.63 -0.10 0.00 0.00 175.22 177.40 2dad n LYS 82 N 1.92 1.84 -3.91 0.44 5.02 0.64 -4.69 118.16 119.42 2dad n LYS 82 Ca -0.14 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 2dad n LYS 82 Cb 0.52 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.96 0.12 0.13 4.39 1.04 -1.16 -1.77 113.70 113.48 2dad s SER 83 Ca -0.02 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.14 2dad s SER 83 Cb 0.02 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2dad s SER 83 CO 0.15 -0.39 -0.21 -0.76 0.98 0.00 0.00 173.24 173.01 2dad s LEU 84 N -1.61 2.34 -0.19 2.42 1.43 0.17 -1.70 118.68 121.56 2dad s LEU 84 Ca -0.12 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2dad s LEU 84 Cb -0.06 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.28 2dad s LEU 84 CO -0.01 0.06 0.07 -0.60 0.23 0.00 0.00 176.35 176.10 2dad s ARG 85 N -2.19 0.35 -0.61 1.70 3.52 0.01 -2.39 118.95 119.34 2dad s ARG 85 Ca 0.11 -0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.16 2dad s ARG 85 Cb -0.09 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2dad s ARG 85 CO 0.05 -0.67 1.44 0.12 -0.81 0.00 0.00 175.30 175.44 2dad s PHE 86 N 2.00 2.20 0.17 5.12 5.36 -1.26 -1.90 117.98 129.66 2dad s PHE 86 Ca 0.01 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 2dad s PHE 86 Cb -0.17 -4.41 0.03 0.00 -0.34 0.00 0.00 43.02 38.13 2dad s PHE 86 CO -0.10 -2.05 1.40 0.82 -1.46 0.00 0.00 175.22 173.84 2dad h ILE 87 N 6.36 1.44 -4.96 3.12 2.04 -1.80 -3.48 117.51 120.24 2dad h ILE 87 Ca -0.27 -2.39 -0.41 0.00 1.00 0.00 0.00 64.86 62.79 2dad h ILE 87 Cb 1.09 2.31 0.05 0.00 -0.74 0.00 0.00 36.82 39.54 2dad h ILE 87 CO 1.21 0.71 -0.62 -1.54 0.00 0.00 0.00 178.15 177.90 2dad n SER 88 N -3.74 -5.79 0.00 1.72 3.41 -1.24 -4.86 113.62 103.11 2dad n SER 88 Ca -0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2dad n SER 88 Cb 0.76 -4.66 0.00 0.00 -0.26 0.00 0.00 64.21 60.05 2dad n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dad n GLY 89 N -1.58 0.39 0.00 5.00 0.00 -1.26 -4.81 105.19 102.93 2dad n GLY 89 Ca -0.07 0.64 0.06 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 0.49 -4.59 1.61 -0.04 -1.26 -4.59 135.00 126.62 2dad n PRO 90 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2dad n PRO 90 Cb 0.00 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.87 4.08 -0.19 3.54 0.15 -1.26 -5.04 113.70 113.11 2dad s SER 91 Ca 0.17 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.37 2dad s SER 91 Cb 0.08 -0.77 -0.21 0.00 -1.71 0.00 0.00 66.02 63.41 2dad s SER 91 CO 0.13 0.26 0.13 -1.54 1.20 0.00 0.00 173.24 173.43 2dad n SER 92 N 1.54 2.00 0.00 5.45 3.41 -1.26 -5.12 113.62 119.63 2dad n SER 92 Ca -0.16 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2dad n SER 92 Cb 0.52 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2dad n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49