#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 2.42 0.08 1.61 1.04 -1.26 -5.00 113.70 112.58 2dad s SER 2 Ca 0.00 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 2dad s SER 2 Cb 0.00 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2dad s SER 2 CO 0.00 -0.01 0.21 -0.55 0.98 0.00 0.00 173.24 173.87 2dad s SER 3 N 1.15 0.07 0.00 7.02 0.15 -1.26 -5.14 113.70 115.69 2dad s SER 3 Ca -0.03 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2dad s SER 3 Cb -0.14 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2dad s SER 3 CO -0.04 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2dad n GLY 4 N 0.13 0.28 3.70 9.45 0.00 -1.26 -4.67 105.19 112.82 2dad n GLY 4 Ca -0.16 0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 2.00 7.22 0.70 1.61 0.01 -1.26 -5.01 113.70 118.97 2dad s SER 5 Ca 0.00 1.76 -0.16 0.00 1.31 0.00 0.00 55.95 58.87 2dad s SER 5 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2dad s SER 5 CO 0.00 -0.40 1.19 -0.94 0.41 0.00 0.00 173.24 173.50 2dad s SER 6 N 1.11 4.49 0.06 2.44 1.04 -1.26 -4.87 113.70 116.72 2dad s SER 6 Ca 0.54 2.30 0.05 0.00 0.48 0.00 0.00 55.95 59.32 2dad s SER 6 Cb -0.24 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.27 2dad s SER 6 CO 0.26 -2.06 -0.14 -0.83 0.98 0.00 0.00 173.24 171.45 2dad s GLY 7 N -2.06 0.83 -0.05 7.32 0.00 -1.23 -4.17 107.32 107.95 2dad s GLY 7 Ca 0.73 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 44.21 2dad s GLY 7 CO 0.43 -0.97 0.80 1.62 0.00 0.00 0.00 173.10 174.98 2dad s GLN 8 N -1.60 0.91 0.02 2.90 0.74 0.16 -4.74 119.66 118.04 2dad s GLN 8 Ca -0.02 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.51 2dad s GLN 8 Cb -0.09 0.42 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 2dad s GLN 8 CO 0.02 -0.32 -0.17 -1.50 -0.55 0.00 0.00 175.29 172.77 2dad s ILE 9 N -1.72 1.35 -0.25 -2.34 2.07 -1.02 -1.23 121.20 118.05 2dad s ILE 9 Ca -0.05 -0.94 0.02 0.00 -1.41 0.00 0.00 60.65 58.28 2dad s ILE 9 Cb -0.00 -1.17 0.06 0.00 0.13 0.00 0.00 42.46 41.48 2dad s ILE 9 CO 0.02 0.22 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.91 2dad s HIS 10 N -0.64 2.90 0.07 3.50 5.65 0.96 -1.35 115.29 126.38 2dad s HIS 10 Ca 0.05 -2.11 -0.05 0.00 0.25 0.00 0.00 55.06 53.20 2dad s HIS 10 Cb -0.07 -1.83 -0.05 0.00 -1.18 0.00 0.00 32.58 29.45 2dad s HIS 10 CO 0.01 -0.84 0.31 -0.51 -0.65 0.00 0.00 174.74 173.06 2dad s LEU 11 N 1.22 4.33 -0.12 8.88 2.01 0.45 0.14 118.68 135.59 2dad s LEU 11 Ca -0.06 0.54 -0.02 0.00 0.01 0.00 0.00 54.13 54.60 2dad s LEU 11 Cb -0.19 -2.98 0.04 0.00 0.01 0.00 0.00 46.19 43.06 2dad s LEU 11 CO -0.06 0.16 -0.00 -0.36 1.01 0.00 0.00 176.35 177.10 2dad s PHE 12 N -1.47 0.94 0.24 0.29 0.40 0.27 -0.41 117.98 118.23 2dad s PHE 12 Ca 0.34 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2dad s PHE 12 Cb -0.13 -0.95 0.39 0.00 0.51 0.00 0.00 43.02 42.84 2dad s PHE 12 CO 0.21 -0.45 1.63 1.03 0.70 0.00 0.00 175.22 178.34 2dad h SER 13 N 8.27 -0.43 -2.75 1.36 0.87 -0.71 -2.46 113.55 117.68 2dad h SER 13 Ca -0.20 0.20 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2dad h SER 13 Cb 1.12 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2dad h SER 13 CO 0.31 -0.20 -0.26 -1.61 -0.53 0.00 0.00 176.83 174.55 2dad s GLU 14 N -6.15 3.50 0.87 2.24 0.41 -0.88 -2.68 118.70 116.01 2dad s GLU 14 Ca -0.14 -0.37 -0.11 0.00 -0.41 0.00 0.00 54.97 53.94 2dad s GLU 14 Cb 0.22 -2.74 0.11 0.00 -1.78 0.00 0.00 34.13 29.94 2dad s GLU 14 CO 0.75 0.26 1.09 -1.25 -0.49 0.00 0.00 175.26 175.62 2dad s PRO 15 N -3.95 1.50 -1.43 0.39 0.04 -1.26 -3.01 135.00 127.28 2dad s PRO 15 Ca 0.39 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 2dad s PRO 15 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dad s PRO 15 CO 0.33 -2.10 0.34 1.04 0.04 0.00 0.00 177.00 176.64 2dad n GLN 16 N -3.80 -3.24 -3.81 4.56 6.02 0.38 -2.40 117.38 115.10 2dad n GLN 16 Ca 0.07 0.83 -0.26 0.00 -0.01 0.00 0.00 57.00 57.64 2dad n GLN 16 Cb 0.55 -5.41 0.03 0.00 1.02 0.00 0.00 30.24 26.43 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 -4.23 -2.10 -4.58 1.08 3.72 -1.25 -4.98 117.46 105.11 2dad n PHE 17 Ca -0.14 0.87 -0.32 0.00 -0.05 0.00 0.00 57.45 57.81 2dad n PHE 17 Cb 0.63 -4.19 -0.06 0.00 -0.94 0.00 0.00 39.48 34.92 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 2.21 4.82 -1.08 -0.21 -1.01 -5.04 119.66 113.05 2dad s GLN 18 Ca 0.32 -2.32 0.00 0.00 0.02 0.00 0.00 55.36 53.38 2dad s GLN 18 Cb -0.16 -1.65 0.00 0.00 1.00 0.00 0.00 33.01 32.20 2dad s GLN 18 CO 0.82 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2dad n GLY 19 N -1.37 1.68 3.76 3.09 0.00 -1.26 -2.07 105.19 109.03 2dad n GLY 19 Ca -0.16 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2dad n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dad s HIS 20 N 0.00 2.52 -0.00 1.61 2.46 -1.26 -4.82 115.29 115.80 2dad s HIS 20 Ca 0.00 1.56 -0.03 0.00 0.47 0.00 0.00 55.06 57.06 2dad s HIS 20 Cb 0.00 -3.24 -0.00 0.00 -0.13 0.00 0.00 32.58 29.20 2dad s HIS 20 CO 0.00 -1.84 0.05 -1.54 -2.47 0.00 0.00 174.74 168.93 2dad s SER 21 N -2.35 0.06 -0.16 9.88 1.04 -1.26 -0.21 113.70 120.69 2dad s SER 21 Ca 0.69 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 2dad s SER 21 Cb -0.23 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.10 2dad s SER 21 CO 0.40 -0.19 0.34 -1.10 0.98 0.00 0.00 173.24 173.67 2dad s GLN 22 N -0.77 0.26 -0.06 4.02 -0.21 0.45 -4.99 119.66 118.36 2dad s GLN 22 Ca -0.09 0.84 -0.01 0.00 0.02 0.00 0.00 55.36 56.13 2dad s GLN 22 Cb -0.05 0.10 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 2dad s GLN 22 CO 0.00 -0.24 -0.01 -1.54 -2.12 0.00 0.00 175.29 171.38 2dad s SER 23 N 2.21 5.11 -0.14 5.90 1.04 -1.26 -0.41 113.70 126.15 2dad s SER 23 Ca -0.03 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dad s SER 23 Cb -0.11 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.65 2dad s SER 23 CO -0.11 0.35 -0.08 -0.36 0.98 0.00 0.00 173.24 174.02 2dad s PHE 24 N -0.93 1.72 -0.05 5.02 0.08 -0.46 -4.99 117.98 118.38 2dad s PHE 24 Ca 0.15 -0.99 0.12 0.00 0.12 0.00 0.00 56.93 56.33 2dad s PHE 24 Cb -0.11 -1.34 -0.23 0.00 -0.57 0.00 0.00 43.02 40.76 2dad s PHE 24 CO 0.04 -0.59 0.65 0.39 -0.10 0.00 0.00 175.22 175.62 2dad n GLU 25 N 4.88 0.64 -4.07 0.44 1.02 -1.26 -2.44 120.64 119.84 2dad n GLU 25 Ca -0.13 0.30 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 2dad n GLU 25 Cb 0.49 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 2dad n GLU 25 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dad s GLU 26 N -2.60 2.26 0.01 3.49 1.03 -1.26 -4.75 118.70 116.88 2dad s GLU 26 Ca -0.05 -1.80 -0.30 0.00 0.03 0.00 0.00 54.97 52.84 2dad s GLU 26 Cb 0.08 -2.03 -0.08 0.00 -0.80 0.00 0.00 34.13 31.30 2dad s GLU 26 CO 0.82 -0.11 1.90 0.99 -1.33 0.00 0.00 175.26 177.53 2dad s THR 27 N -2.58 3.15 0.11 1.83 2.01 -1.26 -4.78 115.64 114.12 2dad s THR 27 Ca 0.42 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2dad s THR 27 Cb 0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2dad s THR 27 CO 0.23 -0.02 0.26 -0.89 -0.69 0.00 0.00 174.62 173.52 2dad s THR 28 N 4.45 5.34 -0.03 -0.82 2.01 -1.00 -4.98 115.64 120.61 2dad s THR 28 Ca 0.85 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2dad s THR 28 Cb -0.40 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2dad s THR 28 CO 0.39 0.01 0.00 -1.54 -0.69 0.00 0.00 174.62 172.79 2dad n SER 29 N -0.14 4.10 -3.95 3.53 3.41 -1.26 -0.82 113.62 118.49 2dad n SER 29 Ca -0.06 -0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.36 2dad n SER 29 Cb 0.52 0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.08 0.72 0.18 4.33 -2.07 -1.14 -3.77 119.66 115.83 2dad s GLN 30 Ca -0.02 -0.20 -0.14 0.00 -1.82 0.00 0.00 55.36 53.18 2dad s GLN 30 Cb 0.01 -0.70 -0.07 0.00 -1.09 0.00 0.00 33.01 31.15 2dad s GLN 30 CO 0.12 0.05 0.58 0.42 -1.32 0.00 0.00 175.29 175.15 2dad s ILE 31 N 0.32 4.83 -0.62 3.63 -1.09 -0.32 -4.94 121.20 123.01 2dad s ILE 31 Ca -0.04 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 58.90 2dad s ILE 31 Cb -0.08 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 36.95 2dad s ILE 31 CO 0.00 0.15 2.46 0.47 -1.23 0.00 0.00 174.94 176.79 2dad n ASP 32 N 0.53 1.66 -2.71 3.58 9.92 -1.26 -0.77 116.55 127.50 2dad n ASP 32 Ca -0.03 -0.11 -0.18 0.00 -0.53 0.00 0.00 54.79 53.93 2dad n ASP 32 Cb 0.52 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 2dad n ASP 32 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2dad n ASP 33 N 13.05 -4.83 -3.91 -2.24 9.92 -1.26 -1.32 116.55 125.96 2dad n ASP 33 Ca 0.47 -0.06 -0.31 0.00 -0.53 0.00 0.00 54.79 54.36 2dad n ASP 33 Cb 0.32 -4.01 -0.02 0.00 -0.64 0.00 0.00 41.12 36.77 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dad n SER 34 N -2.09 -3.29 -4.65 -2.24 3.41 0.05 -4.79 113.62 100.02 2dad n SER 34 Ca -0.14 -0.77 -0.45 0.00 -0.26 0.00 0.00 58.87 57.24 2dad n SER 34 Cb 0.62 -2.71 -0.04 0.00 -0.26 0.00 0.00 64.21 61.82 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 -4.15 2.31 -0.75 7.33 1.16 -0.43 -4.87 117.46 118.06 2dad n PHE 35 Ca 0.05 -0.15 -0.33 0.00 -1.87 0.00 0.00 57.45 55.16 2dad n PHE 35 Cb 0.50 -2.72 0.14 0.00 -1.61 0.00 0.00 39.48 35.79 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 7.88 -1.97 -3.57 5.98 3.41 -1.26 -4.76 113.62 119.32 2dad n SER 36 Ca 0.24 0.23 -0.16 0.00 -0.26 0.00 0.00 58.87 58.91 2dad n SER 36 Cb 0.35 -1.18 -0.13 0.00 -0.26 0.00 0.00 64.21 62.99 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 -2.38 -0.34 -0.09 6.66 2.01 -1.26 -3.94 115.64 116.29 2dad s THR 37 Ca 0.58 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2dad s THR 37 Cb -0.19 -0.53 -0.26 0.00 0.01 0.00 0.00 72.50 71.52 2dad s THR 37 CO 0.66 -0.04 0.48 0.11 -0.69 0.00 0.00 174.62 175.15 2dad h LYS 38 N 8.31 0.24 -5.93 4.92 1.57 -1.22 -3.47 116.57 121.00 2dad h LYS 38 Ca -0.15 -0.41 -0.52 0.00 -1.87 0.00 0.00 60.65 57.70 2dad h LYS 38 Cb 1.13 0.15 -0.19 0.00 0.08 0.00 0.00 32.23 33.41 2dad h LYS 38 CO 0.21 1.12 -0.79 -1.54 -0.57 0.00 0.00 179.45 177.88 2dad s SER 39 N -6.93 2.58 0.20 0.86 1.04 -1.14 -2.35 113.70 107.96 2dad s SER 39 Ca -0.18 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.38 2dad s SER 39 Cb 0.07 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2dad s SER 39 CO 0.79 -0.03 0.22 0.00 0.98 0.00 0.00 173.24 175.21 2dad s ARG 41 N -4.09 0.09 0.11 0.00 3.52 0.36 -1.80 118.95 117.14 2dad s ARG 41 Ca 0.31 -0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.61 2dad s ARG 41 Cb 0.05 -1.70 -0.07 0.00 -1.56 0.00 0.00 34.95 31.66 2dad s ARG 41 CO 0.09 -0.72 0.57 0.08 -0.81 0.00 0.00 175.30 174.51 2dad s VAL 42 N 2.14 4.77 -0.27 7.11 1.01 -0.85 -0.03 120.40 134.29 2dad s VAL 42 Ca 0.03 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 2dad s VAL 42 Cb -0.16 -3.83 0.16 0.00 0.00 0.00 0.00 36.38 32.55 2dad s VAL 42 CO -0.13 0.41 0.46 -0.44 0.00 0.00 0.00 175.10 175.40 2dad s SER 43 N -1.39 -0.33 0.00 3.32 0.01 -0.37 -3.12 113.70 111.82 2dad s SER 43 Ca 0.33 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2dad s SER 43 Cb -0.17 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.53 2dad s SER 43 CO 0.19 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2dad n GLY 44 N 5.38 -0.93 0.00 3.44 0.00 -1.26 0.38 105.19 112.20 2dad n GLY 44 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.33 0.05 3.91 -0.02 0.00 -1.26 -3.57 105.19 103.96 2dad n GLY 45 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.84 5.42 -0.03 1.61 0.01 -0.71 -4.62 113.70 113.54 2dad s SER 46 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2dad s SER 46 Cb 0.00 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.54 2dad s SER 46 CO 0.00 -1.25 0.01 0.26 0.41 0.00 0.00 173.24 172.66 2dad s TRP 47 N -3.18 0.23 -0.18 2.43 0.52 -0.99 0.43 118.94 118.20 2dad s TRP 47 Ca 0.56 0.03 -0.08 0.00 0.02 0.00 0.00 56.10 56.64 2dad s TRP 47 Cb -0.11 -0.36 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 2dad s TRP 47 CO 0.48 -0.12 0.09 0.08 0.02 0.00 0.00 176.95 177.50 2dad s VAL 48 N 1.01 5.01 -0.21 4.03 1.01 -1.03 -0.51 120.40 129.72 2dad s VAL 48 Ca -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2dad s VAL 48 Cb -0.13 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2dad s VAL 48 CO -0.02 0.47 -0.12 0.68 0.00 0.00 0.00 175.10 176.11 2dad s VAL 49 N 0.21 2.64 -0.18 2.92 -7.23 -0.68 -2.04 120.40 116.05 2dad s VAL 49 Ca 0.06 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 2dad s VAL 49 Cb -0.12 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2dad s VAL 49 CO -0.00 0.42 0.07 -0.31 -0.31 0.00 0.00 175.10 174.96 2dad s TYR 50 N 1.35 3.26 -0.18 2.82 1.51 -0.99 -2.27 117.35 122.86 2dad s TYR 50 Ca 0.04 0.09 0.28 0.00 -1.01 0.00 0.00 57.07 56.47 2dad s TYR 50 Cb -0.14 -2.08 1.25 0.00 -0.11 0.00 0.00 41.96 40.88 2dad s TYR 50 CO -0.08 0.17 1.83 0.38 -1.11 0.00 0.00 175.55 176.74 2dad h ASP 51 N 6.64 0.00 -1.94 2.29 2.03 -1.72 0.59 116.42 124.30 2dad h ASP 51 Ca -0.37 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.41 2dad h ASP 51 Cb 1.17 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.61 2dad h ASP 51 CO 0.71 0.00 -0.50 -0.83 -1.03 0.00 0.00 179.24 177.59 2dad s GLY 52 N -3.75 1.75 0.57 7.15 0.00 -1.04 -4.36 107.32 107.63 2dad s GLY 52 Ca 0.01 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 2dad s GLY 52 CO 0.39 -1.61 1.01 -0.54 0.00 0.00 0.00 173.10 172.34 2dad s GLU 53 N -3.91 3.77 -1.37 2.90 2.02 -1.26 -3.71 118.70 117.14 2dad s GLU 53 Ca 0.38 0.86 -0.05 0.00 0.02 0.00 0.00 54.97 56.18 2dad s GLU 53 Cb -0.05 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.07 2dad s GLU 53 CO 0.25 -0.42 0.60 0.09 0.02 0.00 0.00 175.26 175.79 2dad n ASN 54 N -2.15 -5.68 -3.86 -0.19 5.03 -1.26 -2.31 115.26 104.84 2dad n ASN 54 Ca 0.06 -0.28 -0.28 0.00 0.87 0.00 0.00 54.58 54.96 2dad n ASN 54 Cb 0.54 -4.49 0.03 0.00 -1.02 0.00 0.00 39.78 34.84 2dad n ASN 54 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2dad n PHE 55 N -4.42 -2.18 -3.93 3.10 3.72 -1.25 -4.98 117.46 107.52 2dad n PHE 55 Ca -0.09 0.88 -0.22 0.00 -0.05 0.00 0.00 57.45 57.98 2dad n PHE 55 Cb 0.60 -4.08 -0.05 0.00 -0.94 0.00 0.00 39.48 35.01 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 3.47 0.00 4.37 -4.23 -0.98 -5.01 115.64 109.84 2dad s THR 56 Ca 0.46 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2dad s THR 56 Cb -0.23 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2dad s THR 56 CO 0.83 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 2dad n GLY 57 N -1.28 0.05 3.85 3.99 0.00 -1.26 -2.51 105.19 108.03 2dad n GLY 57 Ca -0.03 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 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 6.72 -0.04 1.61 0.01 -1.26 -4.97 114.94 113.01 2dad s ASN 58 Ca 0.00 1.42 0.04 0.00 -0.71 0.00 0.00 52.86 53.61 2dad s ASN 58 Cb 0.00 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.22 2dad s ASN 58 CO 0.00 -0.38 -0.16 0.00 -1.51 0.00 0.00 177.10 175.04 2dad s GLN 59 N -3.49 1.75 -0.24 -0.60 -2.07 -1.26 -3.33 119.66 110.41 2dad s GLN 59 Ca 0.57 -0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 53.52 2dad s GLN 59 Cb -0.10 -1.51 0.07 0.00 -1.09 0.00 0.00 33.01 30.38 2dad s GLN 59 CO 0.23 0.22 0.02 0.71 -1.32 0.00 0.00 175.29 175.15 2dad s TYR 60 N 0.09 1.78 0.85 9.60 2.02 -0.96 -4.94 117.35 125.79 2dad s TYR 60 Ca -0.05 -1.47 -0.12 0.00 -0.37 0.00 0.00 57.07 55.07 2dad s TYR 60 Cb -0.12 -1.46 0.10 0.00 -0.40 0.00 0.00 41.96 40.09 2dad s TYR 60 CO 0.02 -0.74 1.11 0.14 -1.57 0.00 0.00 175.55 174.51 2dad s VAL 61 N 1.60 2.63 -0.07 0.71 -7.23 -1.26 -1.68 120.40 115.10 2dad s VAL 61 Ca 0.00 0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.35 2dad s VAL 61 Cb -0.18 -2.91 0.04 0.00 0.56 0.00 0.00 36.38 33.89 2dad s VAL 61 CO -0.11 -0.27 0.14 -0.76 -0.31 0.00 0.00 175.10 173.79 2dad s LEU 62 N -5.94 0.25 1.00 1.32 1.43 0.34 -4.91 118.68 112.17 2dad s LEU 62 Ca 0.62 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 2dad s LEU 62 Cb -0.15 0.24 0.19 0.00 0.03 0.00 0.00 46.19 46.50 2dad s LEU 62 CO 0.54 -0.21 1.16 -1.61 0.23 0.00 0.00 176.35 176.46 2dad s GLU 63 N 1.87 0.42 -0.19 1.70 2.02 -1.26 -2.35 118.70 120.90 2dad s GLU 63 Ca -0.01 0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 2dad s GLU 63 Cb -0.12 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 2dad s GLU 63 CO -0.05 -2.65 1.36 -2.00 0.02 0.00 0.00 175.26 171.93 2dad s GLU 64 N -5.37 4.10 0.00 1.61 2.12 -1.26 -4.59 118.70 115.31 2dad s GLU 64 Ca 0.67 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.62 2dad s GLU 64 Cb -0.12 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.42 2dad s GLU 64 CO 0.54 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 2dad n GLY 65 N 3.96 -0.92 3.11 -1.50 0.00 -1.18 -5.01 105.19 103.65 2dad n GLY 65 Ca 0.15 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 3.04 -0.49 1.61 -3.43 -1.26 -2.01 115.29 109.76 2dad s HIS 66 Ca 0.00 -1.93 -0.13 0.00 -0.80 0.00 0.00 55.06 52.19 2dad s HIS 66 Cb 0.00 -1.95 0.11 0.00 -1.43 0.00 0.00 32.58 29.31 2dad s HIS 66 CO 0.00 -0.83 0.40 0.71 -2.00 0.00 0.00 174.74 173.03 2dad s TYR 67 N 1.21 3.30 0.31 0.38 2.02 -0.74 -4.93 117.35 118.91 2dad s TYR 67 Ca -0.02 -1.37 0.10 0.00 -0.37 0.00 0.00 57.07 55.41 2dad s TYR 67 Cb -0.17 -3.45 0.50 0.00 -0.40 0.00 0.00 41.96 38.45 2dad s TYR 67 CO -0.08 -0.93 1.71 -1.00 -1.57 0.00 0.00 175.55 173.67 2dad h PRO 68 N 8.69 0.07 -4.91 -1.71 0.13 -1.93 -2.33 132.00 130.01 2dad h PRO 68 Ca -0.27 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.37 2dad h PRO 68 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 0.92 0.54 -0.53 0.00 -0.23 0.00 0.00 178.00 178.70 2dad h LEU 70 N 2.12 -0.01 -0.83 0.00 3.38 -1.79 -3.32 115.31 114.86 2dad h LEU 70 Ca -0.31 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 56.95 2dad h LEU 70 Cb 1.25 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.88 2dad h LEU 70 CO 0.48 0.83 -0.37 -0.24 0.09 0.00 0.00 178.44 179.23 2dad n SER 71 N -4.69 -0.64 -0.29 -0.43 2.88 -1.26 0.23 113.62 109.42 2dad n SER 71 Ca -0.09 1.46 0.14 0.00 -1.33 0.00 0.00 58.87 59.04 2dad n SER 71 Cb 0.40 -0.29 0.40 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.92 1.89 -0.00 -1.46 0.00 -1.93 0.12 119.26 118.81 2dad h ALA 72 Ca 0.24 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 2dad h ALA 72 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2dad h ALA 72 CO -0.81 -0.18 -0.79 0.52 0.00 0.00 0.00 179.25 177.99 2dad h MET 73 N 0.64 0.00 0.00 0.00 2.07 0.28 -3.48 114.93 114.44 2dad h MET 73 Ca 0.49 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.11 2dad h MET 73 Cb 0.88 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.62 2dad h MET 73 CO -0.24 0.79 0.00 0.41 1.07 0.00 0.00 176.91 178.94 2dad n GLY 74 N 0.74 1.91 3.60 8.32 0.00 0.88 -5.00 105.19 115.63 2dad n GLY 74 Ca -0.01 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.98 1.85 -0.92 0.00 0.04 -1.26 -4.15 135.00 128.59 2dad s PRO 76 Ca 0.63 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 2dad s PRO 76 Cb -0.56 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2dad s PRO 76 CO 0.57 -1.88 1.95 -1.25 0.04 0.00 0.00 177.00 176.42 2dad s PRO 77 N -4.92 2.55 0.00 0.56 0.04 -1.26 -3.27 135.00 128.70 2dad s PRO 77 Ca 0.62 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2dad s PRO 77 Cb -0.17 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2dad s PRO 77 CO 0.56 -3.42 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2dad n GLY 78 N 6.80 0.73 3.77 0.56 0.00 -1.26 -5.15 105.19 110.64 2dad n GLY 78 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 3.54 -0.19 4.61 0.00 -1.20 -5.10 121.76 122.67 2dad s ALA 79 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2dad s ALA 79 Cb 0.00 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.58 2dad s ALA 79 CO 0.00 0.66 -0.04 0.99 0.00 0.00 0.00 175.76 177.37 2dad s THR 80 N -1.11 1.16 0.13 0.00 2.01 -1.26 -4.29 115.64 112.28 2dad s THR 80 Ca 0.20 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2dad s THR 80 Cb -0.12 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 2dad s THR 80 CO 0.10 0.02 1.03 -0.36 -0.69 0.00 0.00 174.62 174.73 2dad s PHE 81 N 1.59 3.70 -0.07 4.92 0.08 -1.26 -4.21 117.98 122.73 2dad s PHE 81 Ca -0.01 1.69 0.05 0.00 0.12 0.00 0.00 56.93 58.78 2dad s PHE 81 Cb -0.16 -3.16 -0.08 0.00 -0.57 0.00 0.00 43.02 39.04 2dad s PHE 81 CO -0.07 -0.21 0.01 1.63 -0.10 0.00 0.00 175.22 176.48 2dad n LYS 82 N 2.69 2.41 -4.21 0.44 5.02 0.19 -4.66 118.16 120.03 2dad n LYS 82 Ca 0.03 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 2dad n LYS 82 Cb 0.48 -1.17 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 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 -4.02 1.65 0.07 4.39 1.04 -1.15 -1.17 113.70 114.51 2dad s SER 83 Ca -0.05 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.52 2dad s SER 83 Cb 0.02 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 2dad s SER 83 CO 0.26 -0.28 -0.09 -0.76 0.98 0.00 0.00 173.24 173.36 2dad s LEU 84 N -2.73 2.33 -0.24 2.42 1.43 0.00 -2.34 118.68 119.57 2dad s LEU 84 Ca 0.10 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 2dad s LEU 84 Cb -0.01 -0.21 0.08 0.00 0.03 0.00 0.00 46.19 46.08 2dad s LEU 84 CO 0.01 -0.25 0.12 -0.60 0.23 0.00 0.00 176.35 175.86 2dad s ARG 85 N -2.24 0.14 0.01 1.70 3.52 -0.86 -2.36 118.95 118.85 2dad s ARG 85 Ca -0.02 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 2dad s ARG 85 Cb -0.06 -1.43 -0.07 0.00 -1.56 0.00 0.00 34.95 31.84 2dad s ARG 85 CO -0.00 -0.86 1.68 0.12 -0.81 0.00 0.00 175.30 175.43 2dad s PHE 86 N 2.14 2.11 -0.31 5.12 5.36 -1.26 -2.45 117.98 128.69 2dad s PHE 86 Ca 0.06 0.20 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 2dad s PHE 86 Cb -0.16 -3.96 -0.03 0.00 -0.34 0.00 0.00 43.02 38.53 2dad s PHE 86 CO -0.24 -3.99 0.20 0.42 -1.46 0.00 0.00 175.22 170.15 2dad s ILE 87 N 3.45 5.09 -2.00 3.12 1.01 0.17 -4.94 121.20 127.10 2dad s ILE 87 Ca 0.75 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 61.38 2dad s ILE 87 Cb -0.37 -3.53 0.31 0.00 0.01 0.00 0.00 42.46 38.88 2dad s ILE 87 CO 0.32 0.11 1.11 -0.24 0.00 0.00 0.00 174.94 176.24 2dad n SER 88 N 5.05 0.00 0.00 3.58 2.88 -1.26 -1.74 113.62 122.14 2dad n SER 88 Ca -0.14 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 2dad n SER 88 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.06 0.41 3.77 0.46 0.00 -1.26 -4.35 105.19 104.29 2dad n GLY 89 Ca 0.08 0.37 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 3.92 -0.08 1.61 0.04 -1.26 -5.05 135.00 134.17 2dad s PRO 90 Ca 0.00 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2dad s PRO 90 Cb 0.00 -2.56 0.04 0.00 0.04 0.00 0.00 34.50 32.02 2dad s PRO 90 CO 0.00 -0.44 0.17 0.45 0.04 0.00 0.00 177.00 177.22 2dad s SER 91 N -1.20 0.12 0.07 6.66 0.15 -1.26 -4.92 113.70 113.32 2dad s SER 91 Ca 0.60 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 2dad s SER 91 Cb -0.30 0.26 -0.18 0.00 -1.71 0.00 0.00 66.02 64.09 2dad s SER 91 CO 0.38 -0.18 1.64 -1.28 1.20 0.00 0.00 173.24 175.00 2dad h SER 92 N 7.59 -0.55 0.00 5.45 0.87 -1.97 -3.53 113.55 121.41 2dad h SER 92 Ca -0.34 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2dad h SER 92 Cb 1.13 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dad h SER 92 CO 0.33 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.86