#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 5.40 0.02 1.61 0.15 -1.26 -5.12 113.70 114.50 2dad s SER 2 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2dad s SER 2 Cb 0.00 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 2dad s SER 2 CO 0.00 0.21 0.10 -0.44 1.20 0.00 0.00 173.24 174.31 2dad s SER 3 N -2.13 5.78 0.00 5.45 0.01 -1.26 -5.04 113.70 116.51 2dad s SER 3 Ca 0.26 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dad s SER 3 Cb -0.12 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2dad s SER 3 CO 0.18 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2dad n GLY 4 N 0.94 3.63 3.87 3.44 0.00 -1.26 -5.15 105.19 110.66 2dad n GLY 4 Ca -0.11 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 5.86 -0.13 1.61 1.04 -1.26 -5.11 113.70 115.71 2dad s SER 5 Ca 0.00 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.33 2dad s SER 5 Cb 0.00 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 2dad s SER 5 CO 0.00 -0.00 -0.01 -0.44 0.98 0.00 0.00 173.24 173.77 2dad s SER 6 N -3.57 5.06 -0.10 7.02 0.01 -1.26 -5.05 113.70 115.81 2dad s SER 6 Ca 0.33 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.58 2dad s SER 6 Cb -0.09 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 2dad s SER 6 CO 0.26 0.25 -0.05 -0.83 0.41 0.00 0.00 173.24 173.28 2dad s GLY 7 N -0.11 1.73 -0.25 3.44 0.00 -1.22 -3.98 107.32 106.93 2dad s GLY 7 Ca 0.04 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 2dad s GLY 7 CO 0.02 -0.47 0.62 1.62 0.00 0.00 0.00 173.10 174.89 2dad s GLN 8 N -0.48 0.62 -0.02 2.90 0.74 0.97 -4.72 119.66 119.68 2dad s GLN 8 Ca 0.07 1.12 -0.02 0.00 0.05 0.00 0.00 55.36 56.58 2dad s GLN 8 Cb -0.12 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 2dad s GLN 8 CO 0.02 -0.15 0.14 -1.50 -0.55 0.00 0.00 175.29 173.24 2dad s ILE 9 N 1.62 5.17 -0.22 -2.34 2.07 -0.52 -2.49 121.20 124.48 2dad s ILE 9 Ca -0.10 -0.20 -0.00 0.00 -1.41 0.00 0.00 60.65 58.94 2dad s ILE 9 Cb -0.06 -3.37 0.06 0.00 0.13 0.00 0.00 42.46 39.22 2dad s ILE 9 CO -0.18 0.38 -0.04 -2.28 -1.91 0.00 0.00 174.94 170.91 2dad s HIS 10 N -1.23 2.10 0.14 3.50 2.46 0.57 -0.46 115.29 122.36 2dad s HIS 10 Ca 0.24 -1.54 -0.02 0.00 0.47 0.00 0.00 55.06 54.20 2dad s HIS 10 Cb -0.12 -1.46 -0.05 0.00 -0.13 0.00 0.00 32.58 30.82 2dad s HIS 10 CO 0.15 -0.73 0.34 -0.51 -2.47 0.00 0.00 174.74 171.52 2dad s LEU 11 N 1.50 4.27 -0.16 8.88 2.01 0.93 0.10 118.68 136.21 2dad s LEU 11 Ca -0.04 0.46 -0.02 0.00 0.01 0.00 0.00 54.13 54.53 2dad s LEU 11 Cb -0.18 -3.19 0.05 0.00 0.01 0.00 0.00 46.19 42.88 2dad s LEU 11 CO -0.07 0.05 0.02 -0.36 1.01 0.00 0.00 176.35 177.00 2dad s PHE 12 N -1.69 1.02 0.24 0.29 0.40 0.09 -0.91 117.98 117.42 2dad s PHE 12 Ca 0.39 -0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2dad s PHE 12 Cb -0.12 -1.01 0.34 0.00 0.51 0.00 0.00 43.02 42.75 2dad s PHE 12 CO 0.27 -0.54 1.59 1.03 0.70 0.00 0.00 175.22 178.26 2dad h SER 13 N 8.25 -0.83 -2.82 1.36 0.87 -0.56 -2.76 113.55 117.06 2dad h SER 13 Ca -0.18 0.25 -0.49 0.00 -1.23 0.00 0.00 61.79 60.15 2dad h SER 13 Cb 1.12 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2dad h SER 13 CO 0.33 -0.28 -0.22 -1.61 -0.53 0.00 0.00 176.83 174.52 2dad s GLU 14 N -6.22 3.51 0.89 2.24 2.02 -0.84 -2.82 118.70 117.47 2dad s GLU 14 Ca -0.15 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.41 2dad s GLU 14 Cb 0.23 -2.70 0.12 0.00 0.10 0.00 0.00 34.13 31.88 2dad s GLU 14 CO 0.75 0.21 1.09 -1.25 0.02 0.00 0.00 175.26 176.09 2dad s PRO 15 N -4.04 1.33 -1.60 0.39 0.04 -1.26 -2.96 135.00 126.89 2dad s PRO 15 Ca 0.40 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 2dad s PRO 15 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2dad s PRO 15 CO 0.34 -2.20 0.30 1.04 0.04 0.00 0.00 177.00 176.52 2dad n GLN 16 N -3.86 -3.20 -3.74 4.56 6.02 -0.01 -2.21 117.38 114.93 2dad n GLN 16 Ca 0.07 0.92 -0.24 0.00 -0.01 0.00 0.00 57.00 57.74 2dad n GLN 16 Cb 0.55 -5.62 0.04 0.00 1.02 0.00 0.00 30.24 26.23 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 -4.25 -2.14 -4.54 1.08 3.72 -1.25 -4.99 117.46 105.08 2dad n PHE 17 Ca -0.17 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 57.80 2dad n PHE 17 Cb 0.65 -4.36 -0.06 0.00 -0.94 0.00 0.00 39.48 34.77 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 -6.18 2.21 3.42 -1.08 -0.21 -0.94 -5.04 119.66 111.85 2dad s GLN 18 Ca 0.27 -2.30 0.00 0.00 0.02 0.00 0.00 55.36 53.35 2dad s GLN 18 Cb -0.13 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.20 2dad s GLN 18 CO 0.81 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 2dad n GLY 19 N -1.38 0.72 3.72 3.09 0.00 -1.26 -1.99 105.19 108.08 2dad n GLY 19 Ca -0.15 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 1.96 -4.01 1.61 8.25 -1.26 -4.78 115.22 116.99 2dad n HIS 20 Ca 0.00 0.43 -0.13 0.00 -0.26 0.00 0.00 57.72 57.75 2dad n HIS 20 Cb 0.00 -2.29 -0.14 0.00 1.12 0.00 0.00 29.99 28.69 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 -1.21 0.34 -0.09 0.41 1.04 -1.26 -0.01 113.70 112.92 2dad s SER 21 Ca 0.79 -0.13 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 2dad s SER 21 Cb -0.40 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 65.75 2dad s SER 21 CO 0.44 -0.02 0.19 -1.10 0.98 0.00 0.00 173.24 173.72 2dad s GLN 22 N -0.32 0.12 0.07 4.02 -0.21 -0.08 -5.00 119.66 118.25 2dad s GLN 22 Ca -0.02 0.49 0.05 0.00 0.02 0.00 0.00 55.36 55.91 2dad s GLN 22 Cb -0.03 -0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 2dad s GLN 22 CO -0.00 -0.21 -0.07 -1.54 -2.12 0.00 0.00 175.29 171.36 2dad s SER 23 N 1.56 4.62 -0.04 5.90 1.04 -1.26 -0.05 113.70 125.47 2dad s SER 23 Ca -0.06 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.15 2dad s SER 23 Cb -0.11 -1.00 0.01 0.00 0.10 0.00 0.00 66.02 65.01 2dad s SER 23 CO -0.07 0.21 -0.11 -0.36 0.98 0.00 0.00 173.24 173.89 2dad s PHE 24 N -1.16 1.23 -0.18 5.02 0.40 0.39 -4.99 117.98 118.69 2dad s PHE 24 Ca 0.21 -0.36 0.10 0.00 -0.60 0.00 0.00 56.93 56.28 2dad s PHE 24 Cb -0.11 -0.88 -0.18 0.00 0.51 0.00 0.00 43.02 42.36 2dad s PHE 24 CO 0.13 -0.17 -0.03 0.39 0.70 0.00 0.00 175.22 176.24 2dad n GLU 25 N 3.46 1.01 -4.06 0.44 1.02 -1.26 -1.44 120.64 119.81 2dad n GLU 25 Ca -0.20 0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.75 2dad n GLU 25 Cb 0.53 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dad s GLU 26 N -2.41 2.40 -0.23 3.49 2.02 -1.26 -4.78 118.70 117.93 2dad s GLU 26 Ca -0.16 -1.53 -0.32 0.00 0.02 0.00 0.00 54.97 52.98 2dad s GLU 26 Cb 0.06 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 2dad s GLU 26 CO 0.62 0.10 2.13 2.41 0.02 0.00 0.00 175.26 180.54 2dad n THR 27 N -1.18 0.36 -3.35 3.63 -1.04 -1.26 -4.80 114.28 106.64 2dad n THR 27 Ca -0.03 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.35 2dad n THR 27 Cb 0.61 -2.10 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 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 6.97 4.87 -0.02 12.58 2.01 -1.03 -4.95 115.64 136.07 2dad s THR 28 Ca 1.02 0.60 0.02 0.00 0.31 0.00 0.00 61.69 63.64 2dad s THR 28 Cb -0.59 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2dad s THR 28 CO 0.44 -0.08 0.01 -1.54 -0.69 0.00 0.00 174.62 172.75 2dad n SER 29 N -0.14 4.46 -3.84 3.53 3.41 -1.26 -0.24 113.62 119.54 2dad n SER 29 Ca 0.01 -0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 2dad n SER 29 Cb 0.53 0.53 -0.16 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.05 0.32 0.23 4.33 0.74 -1.16 -3.87 119.66 118.20 2dad s GLN 30 Ca -0.01 0.04 -0.18 0.00 0.05 0.00 0.00 55.36 55.25 2dad s GLN 30 Cb 0.01 -0.47 -0.08 0.00 1.10 0.00 0.00 33.01 33.57 2dad s GLN 30 CO 0.08 -0.10 0.71 0.42 -0.55 0.00 0.00 175.29 175.85 2dad s ILE 31 N 0.86 4.61 -0.61 -2.34 -1.09 0.05 -4.94 121.20 117.74 2dad s ILE 31 Ca -0.09 1.19 -0.29 0.00 -2.23 0.00 0.00 60.65 59.23 2dad s ILE 31 Cb -0.12 -3.81 -0.12 0.00 -1.58 0.00 0.00 42.46 36.82 2dad s ILE 31 CO -0.01 0.16 2.45 0.47 -1.23 0.00 0.00 174.94 176.78 2dad n ASP 32 N 0.58 1.68 -2.69 3.58 8.00 -1.26 -0.67 116.55 125.77 2dad n ASP 32 Ca -0.02 -0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.19 2dad n ASP 32 Cb 0.51 -1.32 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 0.47 -0.39 0.00 0.00 177.20 177.28 2dad n ASP 33 N 12.95 -5.08 -3.94 -2.24 8.00 -1.26 -1.54 116.55 123.44 2dad n ASP 33 Ca 0.47 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.58 2dad n ASP 33 Cb 0.32 -4.21 -0.03 0.00 -0.02 0.00 0.00 41.12 37.18 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dad n SER 34 N -2.12 -2.93 -4.65 -2.24 3.41 0.16 -4.78 113.62 100.47 2dad n SER 34 Ca -0.15 -0.78 -0.47 0.00 -0.26 0.00 0.00 58.87 57.20 2dad n SER 34 Cb 0.63 -2.44 -0.04 0.00 -0.26 0.00 0.00 64.21 62.09 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 -4.05 2.26 -0.75 7.33 1.16 -0.59 -4.86 117.46 117.95 2dad n PHE 35 Ca 0.06 -0.06 -0.33 0.00 -1.87 0.00 0.00 57.45 55.26 2dad n PHE 35 Cb 0.49 -2.68 0.14 0.00 -1.61 0.00 0.00 39.48 35.82 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 7.62 -2.15 -3.58 5.98 3.41 -1.26 -4.74 113.62 118.90 2dad n SER 36 Ca 0.25 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.91 2dad n SER 36 Cb 0.32 -1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.02 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 -2.35 -0.44 -0.05 6.66 2.01 -1.26 -3.98 115.64 116.24 2dad s THR 37 Ca 0.57 0.14 0.13 0.00 0.31 0.00 0.00 61.69 62.84 2dad s THR 37 Cb -0.18 -0.56 -0.23 0.00 0.01 0.00 0.00 72.50 71.54 2dad s THR 37 CO 0.67 0.01 0.66 0.29 -0.69 0.00 0.00 174.62 175.56 2dad n LYS 38 N 5.35 0.63 -4.15 4.92 5.02 -1.05 -4.84 118.16 124.05 2dad n LYS 38 Ca -0.06 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.38 2dad n LYS 38 Cb 0.50 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 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 -6.07 1.34 0.24 4.39 1.04 -1.18 -1.22 113.70 112.25 2dad s SER 39 Ca -0.05 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.64 2dad s SER 39 Cb 0.08 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 2dad s SER 39 CO 0.82 -0.24 0.21 0.00 0.98 0.00 0.00 173.24 175.02 2dad s ARG 41 N -3.92 0.13 -0.10 0.00 3.52 0.28 -2.23 118.95 116.64 2dad s ARG 41 Ca 0.38 0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 56.13 2dad s ARG 41 Cb 0.05 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 2dad s ARG 41 CO 0.16 -0.55 0.31 0.08 -0.81 0.00 0.00 175.30 174.49 2dad s VAL 42 N 2.29 5.25 -0.26 7.11 1.01 -0.99 -0.32 120.40 134.50 2dad s VAL 42 Ca 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2dad s VAL 42 Cb -0.15 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.75 2dad s VAL 42 CO -0.10 0.49 0.35 -0.55 0.00 0.00 0.00 175.10 175.29 2dad s SER 43 N -0.33 0.69 0.00 3.32 0.15 -1.04 -2.24 113.70 114.24 2dad s SER 43 Ca 0.19 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dad s SER 43 Cb -0.14 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2dad s SER 43 CO 0.07 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dad n GLY 44 N 5.35 -1.13 0.00 9.45 0.00 -1.26 -0.02 105.19 117.58 2dad n GLY 44 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 -0.76 3.89 -0.02 0.00 -1.26 -3.46 105.19 103.41 2dad n GLY 45 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.62 5.63 -0.03 1.61 0.01 -0.85 -4.52 113.70 112.93 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 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.32 2dad s SER 46 CO 0.00 -1.16 0.03 0.26 0.41 0.00 0.00 173.24 172.78 2dad s TRP 47 N -3.19 0.12 -0.20 2.43 0.52 -0.84 0.14 118.94 117.93 2dad s TRP 47 Ca 0.56 0.12 -0.10 0.00 0.02 0.00 0.00 56.10 56.70 2dad s TRP 47 Cb -0.11 -0.35 -0.05 0.00 -1.15 0.00 0.00 33.47 31.81 2dad s TRP 47 CO 0.50 -0.13 0.12 0.08 0.02 0.00 0.00 176.95 177.54 2dad s VAL 48 N 1.34 5.33 -0.19 4.03 1.01 -0.95 -0.44 120.40 130.53 2dad s VAL 48 Ca -0.06 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2dad s VAL 48 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2dad s VAL 48 CO -0.03 0.44 -0.11 0.68 0.00 0.00 0.00 175.10 176.08 2dad s VAL 49 N 0.35 2.85 -0.07 2.92 -7.23 -0.94 -1.83 120.40 116.45 2dad s VAL 49 Ca 0.07 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2dad s VAL 49 Cb -0.11 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2dad s VAL 49 CO -0.02 0.48 0.09 -0.31 -0.31 0.00 0.00 175.10 175.03 2dad s TYR 50 N 1.26 3.39 -0.85 2.82 1.51 -1.10 -1.98 117.35 122.41 2dad s TYR 50 Ca 0.03 0.33 0.27 0.00 -1.01 0.00 0.00 57.07 56.70 2dad s TYR 50 Cb -0.14 -1.83 1.00 0.00 -0.11 0.00 0.00 41.96 40.88 2dad s TYR 50 CO -0.05 0.61 1.84 -0.40 -1.11 0.00 0.00 175.55 176.43 2dad n ASP 51 N 1.70 0.43 -4.74 2.29 5.68 -1.13 -0.19 116.55 120.58 2dad n ASP 51 Ca -0.17 0.54 -0.23 0.00 -0.50 0.00 0.00 54.79 54.43 2dad n ASP 51 Cb 0.54 -0.66 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2dad s GLY 52 N -3.31 2.08 0.43 6.12 0.00 -0.67 -4.48 107.32 107.50 2dad s GLY 52 Ca 0.12 -1.92 -0.19 0.00 0.00 0.00 0.00 44.72 42.73 2dad s GLY 52 CO 0.55 -1.80 0.92 -0.54 0.00 0.00 0.00 173.10 172.23 2dad s GLU 53 N -3.88 4.13 -0.95 2.90 2.02 -1.26 -3.54 118.70 118.12 2dad s GLU 53 Ca 0.39 1.01 -0.06 0.00 0.02 0.00 0.00 54.97 56.34 2dad s GLU 53 Cb -0.01 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2dad s GLU 53 CO 0.23 -0.05 0.74 0.09 0.02 0.00 0.00 175.26 176.28 2dad n ASN 54 N -0.80 -4.93 -3.79 -0.19 3.02 -1.25 -2.79 115.26 104.53 2dad n ASN 54 Ca 0.06 -0.34 -0.27 0.00 -0.03 0.00 0.00 54.58 54.01 2dad n ASN 54 Cb 0.54 -3.57 0.04 0.00 -0.61 0.00 0.00 39.78 36.18 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 -4.19 -2.35 -3.62 3.10 3.72 -1.25 -4.98 117.46 107.89 2dad n PHE 55 Ca -0.01 0.92 -0.21 0.00 -0.05 0.00 0.00 57.45 58.10 2dad n PHE 55 Cb 0.55 -4.32 -0.03 0.00 -0.94 0.00 0.00 39.48 34.73 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 -3.38 2.80 0.00 4.37 -4.23 -1.12 -5.01 115.64 109.08 2dad s THR 56 Ca 0.50 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2dad s THR 56 Cb -0.24 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2dad s THR 56 CO 0.80 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 2dad n GLY 57 N -1.51 -1.57 3.77 3.99 0.00 -1.26 -1.67 105.19 106.94 2dad n GLY 57 Ca 0.03 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 6.59 -0.01 1.61 0.01 -1.26 -4.83 114.94 113.05 2dad s ASN 58 Ca 0.00 2.38 0.06 0.00 -0.71 0.00 0.00 52.86 54.59 2dad s ASN 58 Cb 0.00 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 2dad s ASN 58 CO 0.00 -0.63 -0.18 0.00 -1.51 0.00 0.00 177.10 174.78 2dad s GLN 59 N -2.19 2.24 -0.25 -0.60 1.03 -1.26 -2.83 119.66 115.79 2dad s GLN 59 Ca 0.55 -0.86 -0.02 0.00 0.04 0.00 0.00 55.36 55.07 2dad s GLN 59 Cb -0.32 -2.23 0.08 0.00 0.03 0.00 0.00 33.01 30.58 2dad s GLN 59 CO 0.40 0.58 0.08 0.71 -2.54 0.00 0.00 175.29 174.52 2dad s TYR 60 N -0.78 1.09 0.82 9.60 1.51 -0.84 -4.95 117.35 123.81 2dad s TYR 60 Ca 0.12 -1.15 -0.11 0.00 -1.01 0.00 0.00 57.07 54.92 2dad s TYR 60 Cb -0.10 -1.23 0.08 0.00 -0.11 0.00 0.00 41.96 40.60 2dad s TYR 60 CO 0.02 -0.75 1.09 0.14 -1.11 0.00 0.00 175.55 174.95 2dad s VAL 61 N 1.83 3.05 -0.07 0.71 -7.23 -1.26 -2.21 120.40 115.23 2dad s VAL 61 Ca 0.05 0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 2dad s VAL 61 Cb -0.17 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.02 2dad s VAL 61 CO -0.20 -0.45 0.13 -0.76 -0.31 0.00 0.00 175.10 173.51 2dad s LEU 62 N -6.06 0.22 0.67 1.32 1.43 0.41 -4.93 118.68 111.74 2dad s LEU 62 Ca 0.62 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2dad s LEU 62 Cb -0.18 0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.24 2dad s LEU 62 CO 0.56 -0.22 1.04 -1.61 0.23 0.00 0.00 176.35 176.36 2dad s GLU 63 N 1.94 2.92 0.12 1.70 2.02 -1.26 -1.99 118.70 124.16 2dad s GLU 63 Ca -0.00 0.36 -0.31 0.00 0.02 0.00 0.00 54.97 55.04 2dad s GLU 63 Cb -0.12 -2.09 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 2dad s GLU 63 CO -0.05 -0.92 1.85 -2.00 0.02 0.00 0.00 175.26 174.17 2dad s GLU 64 N -5.25 4.13 0.00 1.61 -6.30 -1.26 -4.54 118.70 107.09 2dad s GLU 64 Ca 0.57 2.62 0.00 0.00 -2.50 0.00 0.00 54.97 55.66 2dad s GLU 64 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 34.13 30.40 2dad s GLU 64 CO 0.50 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2dad n GLY 65 N 4.28 -1.53 3.16 -1.50 0.00 -0.95 -4.97 105.19 103.67 2dad n GLY 65 Ca 0.18 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.86 3.29 -0.51 1.61 3.76 -1.26 -2.33 115.29 116.99 2dad s HIS 66 Ca 0.00 -1.97 -0.16 0.00 -0.15 0.00 0.00 55.06 52.78 2dad s HIS 66 Cb 0.00 -2.15 0.11 0.00 1.11 0.00 0.00 32.58 31.65 2dad s HIS 66 CO 0.00 -0.82 0.46 0.71 -0.85 0.00 0.00 174.74 174.24 2dad s TYR 67 N 1.22 3.25 0.32 1.40 2.02 -0.95 -4.92 117.35 119.69 2dad s TYR 67 Ca -0.05 -1.15 0.12 0.00 -0.37 0.00 0.00 57.07 55.62 2dad s TYR 67 Cb -0.20 -3.56 0.57 0.00 -0.40 0.00 0.00 41.96 38.37 2dad s TYR 67 CO -0.02 -0.93 1.73 -1.00 -1.57 0.00 0.00 175.55 173.76 2dad h PRO 68 N 8.83 0.00 -4.51 -1.71 0.13 -1.92 -2.64 132.00 130.18 2dad h PRO 68 Ca -0.29 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.60 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 0.98 0.48 -0.56 0.00 -0.23 0.00 0.00 178.00 178.66 2dad h LEU 70 N 2.56 0.19 -0.85 0.00 3.38 -1.48 -3.27 115.31 115.84 2dad h LEU 70 Ca -0.34 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.35 2dad h LEU 70 Cb 1.25 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 2dad h LEU 70 CO 0.50 0.50 -0.50 -0.24 0.09 0.00 0.00 178.44 178.79 2dad n SER 71 N -4.78 -0.90 -0.34 -0.43 2.88 -1.25 0.16 113.62 108.96 2dad n SER 71 Ca -0.06 1.56 0.22 0.00 -1.33 0.00 0.00 58.87 59.26 2dad n SER 71 Cb 0.23 -0.22 0.48 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.37 2.12 0.00 -1.46 0.00 -1.91 0.72 119.26 119.11 2dad h ALA 72 Ca 0.14 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2dad h ALA 72 Cb 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2dad h ALA 72 CO -0.80 -0.56 -0.57 0.52 0.00 0.00 0.00 179.25 177.83 2dad h MET 73 N 0.43 0.00 0.00 0.00 2.07 0.15 -3.48 114.93 114.10 2dad h MET 73 Ca 0.62 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.25 2dad h MET 73 Cb 1.48 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.21 2dad h MET 73 CO -0.36 0.57 0.00 0.41 1.07 0.00 0.00 176.91 178.60 2dad n GLY 74 N 0.65 2.08 3.60 8.32 0.00 0.25 -5.00 105.19 115.10 2dad n GLY 74 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.04 2.35 -1.05 0.00 0.04 -1.26 -3.91 135.00 128.12 2dad s PRO 76 Ca 0.74 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.76 2dad s PRO 76 Cb -0.38 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 2dad s PRO 76 CO 0.49 -1.58 1.94 -1.25 0.04 0.00 0.00 177.00 176.64 2dad s PRO 77 N -4.76 2.53 0.00 0.56 0.04 -1.26 -3.14 135.00 128.97 2dad s PRO 77 Ca 0.62 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2dad s PRO 77 Cb -0.18 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2dad s PRO 77 CO 0.53 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 174.28 2dad n GLY 78 N 6.30 0.50 3.98 0.56 0.00 -1.26 -5.16 105.19 110.10 2dad n GLY 78 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.75 4.04 -0.04 4.61 0.00 -1.19 -5.12 121.76 123.31 2dad s ALA 79 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 2dad s ALA 79 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.42 2dad s ALA 79 CO 0.00 0.11 0.08 0.99 0.00 0.00 0.00 175.76 176.94 2dad s THR 80 N -2.08 -0.11 0.02 0.00 2.01 -1.26 -4.25 115.64 109.97 2dad s THR 80 Ca 0.39 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 2dad s THR 80 Cb -0.09 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 2dad s THR 80 CO 0.30 0.13 0.63 -0.36 -0.69 0.00 0.00 174.62 174.64 2dad s PHE 81 N 1.74 3.71 -0.10 4.92 0.08 -1.26 -4.21 117.98 122.87 2dad s PHE 81 Ca -0.01 1.28 0.06 0.00 0.12 0.00 0.00 56.93 58.38 2dad s PHE 81 Cb -0.12 -2.65 -0.10 0.00 -0.57 0.00 0.00 43.02 39.58 2dad s PHE 81 CO -0.04 0.37 -0.01 1.63 -0.10 0.00 0.00 175.22 177.07 2dad n LYS 82 N 2.60 1.88 -4.26 0.44 5.02 0.73 -4.67 118.16 119.90 2dad n LYS 82 Ca -0.06 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 2dad n LYS 82 Cb 0.51 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -4.42 0.97 0.05 4.39 1.04 -1.19 -0.77 113.70 113.78 2dad s SER 83 Ca -0.08 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.01 2dad s SER 83 Cb 0.03 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 2dad s SER 83 CO 0.35 -0.70 0.05 -0.76 0.98 0.00 0.00 173.24 173.15 2dad s LEU 84 N -3.23 2.09 -0.25 2.42 1.43 0.67 -2.70 118.68 119.10 2dad s LEU 84 Ca 0.33 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2dad s LEU 84 Cb 0.07 0.46 0.11 0.00 0.03 0.00 0.00 46.19 46.86 2dad s LEU 84 CO 0.10 -0.58 0.24 -0.60 0.23 0.00 0.00 176.35 175.74 2dad s ARG 85 N -3.40 0.25 -0.30 1.70 3.52 -0.76 -2.46 118.95 117.49 2dad s ARG 85 Ca 0.02 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.28 2dad s ARG 85 Cb 0.04 -0.97 -0.02 0.00 -1.56 0.00 0.00 34.95 32.44 2dad s ARG 85 CO -0.08 -0.87 1.71 0.12 -0.81 0.00 0.00 175.30 175.37 2dad s PHE 86 N 2.31 1.95 -0.57 5.12 5.36 -1.26 -2.25 117.98 128.64 2dad s PHE 86 Ca 0.08 0.59 -0.22 0.00 -0.96 0.00 0.00 56.93 56.43 2dad s PHE 86 Cb -0.15 -4.11 0.06 0.00 -0.34 0.00 0.00 43.02 38.47 2dad s PHE 86 CO -0.25 -2.87 0.84 0.42 -1.46 0.00 0.00 175.22 171.90 2dad s ILE 87 N 6.22 4.55 -0.47 3.12 1.01 0.12 -4.95 121.20 130.80 2dad s ILE 87 Ca 0.76 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 2dad s ILE 87 Cb -0.22 -4.50 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 2dad s ILE 87 CO 0.33 -1.11 2.36 -0.24 0.00 0.00 0.00 174.94 176.28 2dad n SER 88 N 7.06 2.18 0.00 3.58 2.88 -1.26 -2.00 113.62 126.05 2dad n SER 88 Ca -0.03 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2dad n SER 88 Cb 0.46 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 6.17 1.22 0.00 0.46 0.00 -1.26 -4.87 105.19 106.91 2dad n GLY 89 Ca 0.41 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 2.66 0.49 -2.93 1.61 -0.04 -1.26 -3.84 135.00 131.68 2dad n PRO 90 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2dad n PRO 90 Cb 0.00 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.85 5.57 -0.28 3.54 0.15 -1.26 -4.76 113.70 114.80 2dad s SER 91 Ca 0.16 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2dad s SER 91 Cb 0.08 -0.80 0.05 0.00 -1.71 0.00 0.00 66.02 63.64 2dad s SER 91 CO 0.13 -0.85 -0.05 -0.55 1.20 0.00 0.00 173.24 173.12 2dad s SER 92 N -4.36 4.69 0.00 5.45 0.15 -1.26 -4.98 113.70 113.40 2dad s SER 92 Ca 0.55 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2dad s SER 92 Cb -0.10 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2dad s SER 92 CO 0.35 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.17