#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 2.94 -0.22 1.61 1.04 -1.26 -5.14 113.70 112.67 2dad s SER 2 Ca 0.00 -1.51 -0.02 0.00 0.48 0.00 0.00 55.95 54.90 2dad s SER 2 Cb 0.00 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.35 2dad s SER 2 CO 0.00 -0.73 0.03 -0.94 0.98 0.00 0.00 173.24 172.58 2dad s SER 3 N -3.61 3.31 0.00 7.02 1.04 -1.26 -5.09 113.70 115.11 2dad s SER 3 Ca 0.28 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2dad s SER 3 Cb 0.06 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2dad s SER 3 CO 0.14 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2dad n GLY 4 N 4.94 1.82 3.64 7.32 0.00 -1.26 -4.92 105.19 116.72 2dad n GLY 4 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2dad n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dad n SER 5 N 0.00 -3.67 -0.54 1.61 7.64 -1.26 -4.85 113.62 112.55 2dad n SER 5 Ca 0.00 -0.67 0.01 0.00 1.01 0.00 0.00 58.87 59.22 2dad n SER 5 Cb 0.00 -4.61 0.06 0.00 -1.01 0.00 0.00 64.21 58.64 2dad n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dad n SER 6 N -3.02 1.33 -0.99 6.43 3.41 -1.26 -4.88 113.62 114.65 2dad n SER 6 Ca -0.14 -2.09 0.01 0.00 -0.26 0.00 0.00 58.87 56.39 2dad n SER 6 Cb 0.61 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.28 -3.57 3.34 5.00 0.00 -1.20 -4.86 105.19 104.18 2dad n GLY 7 Ca 0.04 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.83 0.85 -0.10 1.61 0.74 -0.05 -4.74 119.66 113.14 2dad s GLN 8 Ca 0.00 -0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.22 2dad s GLN 8 Cb 0.00 0.39 0.04 0.00 1.10 0.00 0.00 33.01 34.54 2dad s GLN 8 CO 0.00 -0.27 0.24 -1.50 -0.55 0.00 0.00 175.29 173.22 2dad s ILE 9 N -1.68 -0.04 -0.29 -2.34 2.07 -1.17 -1.97 121.20 115.78 2dad s ILE 9 Ca -0.10 0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 2dad s ILE 9 Cb -0.02 -0.37 0.08 0.00 0.13 0.00 0.00 42.46 42.27 2dad s ILE 9 CO 0.03 0.06 -0.01 -2.28 -1.91 0.00 0.00 174.94 170.83 2dad s HIS 10 N 1.17 3.07 0.46 3.50 2.46 -0.59 -0.29 115.29 125.07 2dad s HIS 10 Ca -0.09 -2.37 -0.07 0.00 0.47 0.00 0.00 55.06 53.00 2dad s HIS 10 Cb -0.10 -2.19 -0.05 0.00 -0.13 0.00 0.00 32.58 30.12 2dad s HIS 10 CO -0.08 -0.88 0.79 -0.51 -2.47 0.00 0.00 174.74 171.59 2dad s LEU 11 N 1.16 3.68 -0.05 8.88 2.01 0.13 -0.45 118.68 134.04 2dad s LEU 11 Ca 0.01 1.02 0.00 0.00 0.01 0.00 0.00 54.13 55.18 2dad s LEU 11 Cb -0.19 -3.95 0.02 0.00 0.01 0.00 0.00 46.19 42.08 2dad s LEU 11 CO -0.09 -0.53 -0.04 -0.36 1.01 0.00 0.00 176.35 176.35 2dad s PHE 12 N -2.63 0.78 0.18 0.29 0.08 0.32 -0.72 117.98 116.28 2dad s PHE 12 Ca 0.49 -0.23 -0.13 0.00 0.12 0.00 0.00 56.93 57.18 2dad s PHE 12 Cb -0.10 -0.73 0.15 0.00 -0.57 0.00 0.00 43.02 41.77 2dad s PHE 12 CO 0.40 -0.24 1.79 1.03 -0.10 0.00 0.00 175.22 178.10 2dad h SER 13 N 7.48 0.38 -2.34 1.36 0.87 -0.48 -2.35 113.55 118.47 2dad h SER 13 Ca -0.33 0.03 -0.50 0.00 -1.23 0.00 0.00 61.79 59.76 2dad h SER 13 Cb 1.15 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2dad h SER 13 CO 0.42 0.26 -0.45 -1.61 -0.53 0.00 0.00 176.83 174.92 2dad s GLU 14 N -6.13 3.40 0.82 2.24 2.02 -0.88 -3.53 118.70 116.64 2dad s GLU 14 Ca -0.13 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 2dad s GLU 14 Cb 0.14 -2.89 0.08 0.00 0.10 0.00 0.00 34.13 31.56 2dad s GLU 14 CO 0.74 0.46 1.09 -1.25 0.02 0.00 0.00 175.26 176.32 2dad s PRO 15 N -3.67 1.89 -1.35 0.39 0.04 -1.26 -2.93 135.00 128.10 2dad s PRO 15 Ca 0.34 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2dad s PRO 15 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2dad s PRO 15 CO 0.28 -1.86 0.19 1.04 0.04 0.00 0.00 177.00 176.69 2dad n GLN 16 N -3.66 -2.32 -3.71 4.56 1.13 -0.03 -2.57 117.38 110.78 2dad n GLN 16 Ca 0.08 0.77 -0.23 0.00 -1.94 0.00 0.00 57.00 55.68 2dad n GLN 16 Cb 0.54 -5.21 0.04 0.00 0.11 0.00 0.00 30.24 25.72 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2dad n PHE 17 N -4.11 -2.15 -4.50 1.08 3.72 -1.25 -4.99 117.46 105.26 2dad n PHE 17 Ca -0.16 0.89 -0.31 0.00 -0.05 0.00 0.00 57.45 57.83 2dad n PHE 17 Cb 0.63 -4.44 -0.06 0.00 -0.94 0.00 0.00 39.48 34.67 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 -6.11 2.20 2.64 -1.08 -1.52 -1.06 -5.04 119.66 109.69 2dad s GLN 18 Ca 0.24 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.39 2dad s GLN 18 Cb -0.12 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 2dad s GLN 18 CO 0.80 -0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.85 2dad n GLY 19 N -1.38 0.24 3.68 3.09 0.00 -1.26 -2.07 105.19 107.49 2dad n GLY 19 Ca -0.13 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.45 1.17 -4.15 1.61 8.25 -1.26 -4.73 115.22 115.67 2dad n HIS 20 Ca 0.00 0.40 -0.10 0.00 -0.26 0.00 0.00 57.72 57.76 2dad n HIS 20 Cb 0.00 -2.09 -0.10 0.00 1.12 0.00 0.00 29.99 28.91 2dad n HIS 20 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dad s SER 21 N -2.12 0.98 -0.17 0.41 0.01 -1.26 0.09 113.70 111.64 2dad s SER 21 Ca 0.73 -0.98 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 2dad s SER 21 Cb -0.29 0.12 0.08 0.00 0.21 0.00 0.00 66.02 66.14 2dad s SER 21 CO 0.51 -0.48 0.35 -1.10 0.41 0.00 0.00 173.24 172.93 2dad s GLN 22 N -3.72 0.25 0.10 12.44 1.11 0.10 -4.96 119.66 124.97 2dad s GLN 22 Ca 0.09 0.88 0.03 0.00 0.01 0.00 0.00 55.36 56.37 2dad s GLN 22 Cb 0.05 0.12 -0.04 0.00 -1.01 0.00 0.00 33.01 32.13 2dad s GLN 22 CO -0.06 -0.29 0.14 0.45 0.01 0.00 0.00 175.29 175.55 2dad s SER 23 N 2.52 5.80 -0.24 5.90 0.15 -1.26 0.22 113.70 126.80 2dad s SER 23 Ca 0.00 0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2dad s SER 23 Cb -0.12 -1.63 0.09 0.00 -1.71 0.00 0.00 66.02 62.65 2dad s SER 23 CO -0.11 0.14 0.16 -0.36 1.20 0.00 0.00 173.24 174.27 2dad s PHE 24 N -1.51 0.05 -2.08 3.44 0.40 0.60 -4.98 117.98 113.89 2dad s PHE 24 Ca 0.31 -0.40 0.13 0.00 -0.60 0.00 0.00 56.93 56.37 2dad s PHE 24 Cb -0.12 -0.67 0.53 0.00 0.51 0.00 0.00 43.02 43.27 2dad s PHE 24 CO 0.24 -0.71 1.38 0.39 0.70 0.00 0.00 175.22 177.22 2dad n GLU 25 N 5.28 1.47 -4.05 0.44 1.02 -1.26 -3.05 120.64 120.49 2dad n GLU 25 Ca -0.06 -0.73 -0.11 0.00 -0.02 0.00 0.00 57.16 56.24 2dad n GLU 25 Cb 0.46 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.79 1.64 -0.31 3.49 0.41 -1.26 -4.86 118.70 116.02 2dad s GLU 26 Ca 0.22 -1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 2dad s GLU 26 Cb 0.11 0.44 -0.01 0.00 -1.78 0.00 0.00 34.13 32.89 2dad s GLU 26 CO 0.17 -0.67 1.55 0.99 -0.49 0.00 0.00 175.26 176.81 2dad s THR 27 N -3.66 3.77 0.24 3.63 2.01 -1.26 -4.84 115.64 115.52 2dad s THR 27 Ca 0.27 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.14 2dad s THR 27 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2dad s THR 27 CO 0.13 -0.49 0.38 0.28 -0.69 0.00 0.00 174.62 174.24 2dad s THR 28 N 5.53 5.24 -0.01 -0.82 -1.32 -1.16 -4.94 115.64 118.17 2dad s THR 28 Ca 0.68 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 60.41 2dad s THR 28 Cb -0.20 -3.82 -0.03 0.00 -1.51 0.00 0.00 72.50 66.94 2dad s THR 28 CO 0.30 -0.30 0.05 -1.20 -2.21 0.00 0.00 174.62 171.26 2dad n SER 29 N -1.22 4.29 -3.91 8.08 7.64 -1.26 -0.25 113.62 126.99 2dad n SER 29 Ca -0.07 -0.03 -0.11 0.00 1.01 0.00 0.00 58.87 59.67 2dad n SER 29 Cb 0.56 1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 64.73 2dad n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dad s GLN 30 N -2.10 0.16 -0.02 1.43 -2.07 -1.08 -2.42 119.66 113.57 2dad s GLN 30 Ca -0.01 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.26 2dad s GLN 30 Cb 0.01 0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2dad s GLN 30 CO 0.09 -0.03 0.16 0.42 -1.32 0.00 0.00 175.29 174.61 2dad s ILE 31 N -0.64 5.32 -0.61 3.63 -1.09 -0.78 -4.88 121.20 122.15 2dad s ILE 31 Ca -0.07 -0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 2dad s ILE 31 Cb -0.04 -3.46 -0.12 0.00 -1.58 0.00 0.00 42.46 37.25 2dad s ILE 31 CO -0.00 0.36 2.45 0.47 -1.23 0.00 0.00 174.94 176.98 2dad n ASP 32 N 1.08 1.68 -2.78 3.58 8.00 -1.26 -0.59 116.55 126.26 2dad n ASP 32 Ca -0.12 -0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.08 2dad n ASP 32 Cb 0.53 -1.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.32 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 12.92 -5.38 -2.85 -2.24 8.00 -1.26 -1.55 116.55 124.19 2dad n ASP 33 Ca 0.47 -0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 2dad n ASP 33 Cb 0.32 -4.43 -0.01 0.00 -0.02 0.00 0.00 41.12 36.98 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 -2.22 -2.31 -4.69 -2.24 3.41 0.24 -4.76 113.62 101.05 2dad n SER 34 Ca -0.15 0.08 -0.52 0.00 -0.26 0.00 0.00 58.87 58.02 2dad n SER 34 Cb 0.63 -2.02 -0.06 0.00 -0.26 0.00 0.00 64.21 62.50 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 -3.15 2.20 -0.78 7.33 1.16 -0.59 -4.90 117.46 118.74 2dad n PHE 35 Ca -0.03 0.22 -0.33 0.00 -1.87 0.00 0.00 57.45 55.45 2dad n PHE 35 Cb 0.53 -2.58 0.13 0.00 -1.61 0.00 0.00 39.48 35.95 2dad n PHE 35 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2dad n SER 36 N 6.28 -2.25 -3.62 5.98 2.88 -1.26 -4.83 113.62 116.80 2dad n SER 36 Ca 0.25 0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.85 2dad n SER 36 Cb 0.22 -1.15 -0.15 0.00 -0.75 0.00 0.00 64.21 62.39 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dad s THR 37 N -2.35 -0.26 -0.17 2.46 2.01 -1.26 -3.99 115.64 112.07 2dad s THR 37 Ca 0.56 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.82 2dad s THR 37 Cb -0.19 -0.41 -0.22 0.00 0.01 0.00 0.00 72.50 71.69 2dad s THR 37 CO 0.68 0.03 0.15 0.29 -0.69 0.00 0.00 174.62 175.07 2dad n LYS 38 N 5.32 0.68 -4.28 4.92 5.02 -0.89 -4.88 118.16 124.05 2dad n LYS 38 Ca -0.05 0.16 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 2dad n LYS 38 Cb 0.50 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 -6.32 2.23 0.20 4.39 1.04 -1.21 -1.84 113.70 112.19 2dad s SER 39 Ca -0.20 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 2dad s SER 39 Cb 0.07 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2dad s SER 39 CO 0.74 -0.13 0.26 0.00 0.98 0.00 0.00 173.24 175.09 2dad s ARG 41 N -4.06 0.41 0.01 0.00 3.52 0.40 -1.98 118.95 117.26 2dad s ARG 41 Ca 0.27 -0.52 -0.19 0.00 -0.13 0.00 0.00 55.73 55.16 2dad s ARG 41 Cb 0.04 -1.75 -0.06 0.00 -1.56 0.00 0.00 34.95 31.62 2dad s ARG 41 CO 0.07 -0.83 0.55 0.08 -0.81 0.00 0.00 175.30 174.36 2dad s VAL 42 N 1.93 4.90 -0.29 7.11 1.01 -1.10 -1.54 120.40 132.43 2dad s VAL 42 Ca 0.05 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.18 2dad s VAL 42 Cb -0.17 -3.88 0.18 0.00 0.00 0.00 0.00 36.38 32.52 2dad s VAL 42 CO -0.20 0.48 0.54 -0.44 0.00 0.00 0.00 175.10 175.48 2dad s SER 43 N -0.54 -1.01 0.00 3.32 0.01 -0.83 -3.03 113.70 111.61 2dad s SER 43 Ca 0.29 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2dad s SER 43 Cb -0.18 1.85 0.00 0.00 0.21 0.00 0.00 66.02 67.90 2dad s SER 43 CO 0.16 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2dad n GLY 44 N 5.41 1.21 0.00 3.44 0.00 -1.26 -0.87 105.19 113.11 2dad n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.13 0.06 3.96 -0.02 0.00 -1.26 -3.28 105.19 104.53 2dad n GLY 45 Ca 0.00 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.55 5.96 -0.01 1.61 0.01 -0.05 -4.17 113.70 114.49 2dad s SER 46 Ca 0.00 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2dad s SER 46 Cb 0.00 -1.60 0.02 0.00 0.21 0.00 0.00 66.02 64.64 2dad s SER 46 CO 0.00 -0.57 0.01 0.26 0.41 0.00 0.00 173.24 173.35 2dad s TRP 47 N -2.45 0.03 -0.18 2.43 0.52 -0.75 -2.99 118.94 115.54 2dad s TRP 47 Ca 0.46 0.07 -0.06 0.00 0.02 0.00 0.00 56.10 56.59 2dad s TRP 47 Cb -0.10 -0.14 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 2dad s TRP 47 CO 0.36 -0.05 0.02 0.08 0.02 0.00 0.00 176.95 177.39 2dad s VAL 48 N 0.58 4.33 -0.17 4.03 1.01 -0.82 -0.09 120.40 129.27 2dad s VAL 48 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2dad s VAL 48 Cb -0.07 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2dad s VAL 48 CO -0.02 0.46 -0.11 0.68 0.00 0.00 0.00 175.10 176.11 2dad s VAL 49 N 0.56 2.96 -0.13 2.92 -7.23 -0.80 -1.70 120.40 116.98 2dad s VAL 49 Ca 0.00 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2dad s VAL 49 Cb -0.14 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2dad s VAL 49 CO 0.02 0.49 0.03 -0.31 -0.31 0.00 0.00 175.10 175.02 2dad s TYR 50 N 0.95 3.23 -0.96 2.82 1.51 -0.96 -1.33 117.35 122.60 2dad s TYR 50 Ca -0.02 0.15 0.18 0.00 -1.01 0.00 0.00 57.07 56.37 2dad s TYR 50 Cb -0.15 -1.91 0.77 0.00 -0.11 0.00 0.00 41.96 40.56 2dad s TYR 50 CO -0.01 0.36 1.58 -0.40 -1.11 0.00 0.00 175.55 175.97 2dad n ASP 51 N 2.67 0.06 -4.85 2.29 5.68 -1.21 -0.05 116.55 121.13 2dad n ASP 51 Ca -0.18 0.51 -0.21 0.00 -0.50 0.00 0.00 54.79 54.41 2dad n ASP 51 Cb 0.53 -0.53 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 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 -3.05 1.70 0.38 6.12 0.00 0.11 -4.52 107.32 108.07 2dad s GLY 52 Ca 0.08 -1.60 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 2dad s GLY 52 CO 0.33 -1.55 0.88 -0.54 0.00 0.00 0.00 173.10 172.22 2dad s GLU 53 N -3.97 4.19 -1.24 2.90 0.41 -1.26 -3.43 118.70 116.29 2dad s GLU 53 Ca 0.39 0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 55.86 2dad s GLU 53 Cb -0.06 -2.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.97 2dad s GLU 53 CO 0.26 0.07 1.08 0.09 -0.49 0.00 0.00 175.26 176.27 2dad n ASN 54 N -0.42 -5.86 -3.51 -0.19 3.02 -1.01 -2.55 115.26 104.74 2dad n ASN 54 Ca 0.05 -0.50 -0.20 0.00 -0.03 0.00 0.00 54.58 53.91 2dad n ASN 54 Cb 0.53 -4.66 0.08 0.00 -0.61 0.00 0.00 39.78 35.12 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 -4.76 -2.38 -4.33 3.10 3.72 -1.25 -5.01 117.46 106.54 2dad n PHE 55 Ca -0.00 0.95 -0.23 0.00 -0.05 0.00 0.00 57.45 58.12 2dad n PHE 55 Cb 0.56 -4.99 -0.08 0.00 -0.94 0.00 0.00 39.48 34.03 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 -3.37 3.24 0.00 4.37 -4.23 -1.06 -5.00 115.64 109.59 2dad s THR 56 Ca 0.19 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2dad s THR 56 Cb -0.08 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2dad s THR 56 CO 0.74 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 2dad n GLY 57 N -0.82 -0.56 3.72 3.99 0.00 -1.26 0.09 105.19 110.35 2dad n GLY 57 Ca -0.06 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 2.07 -0.09 1.61 0.01 -1.26 -4.87 114.94 108.41 2dad s ASN 58 Ca 0.00 0.64 -0.08 0.00 -0.71 0.00 0.00 52.86 52.71 2dad s ASN 58 Cb 0.00 -0.92 0.02 0.00 0.41 0.00 0.00 41.25 40.76 2dad s ASN 58 CO 0.00 -3.41 0.24 0.00 -1.51 0.00 0.00 177.10 172.42 2dad s GLN 59 N -5.48 0.28 -0.23 -0.60 -2.07 -1.26 -3.31 119.66 106.99 2dad s GLN 59 Ca 0.70 0.34 -0.03 0.00 -1.82 0.00 0.00 55.36 54.55 2dad s GLN 59 Cb -0.10 0.13 0.07 0.00 -1.09 0.00 0.00 33.01 32.03 2dad s GLN 59 CO 0.55 -0.04 0.07 0.71 -1.32 0.00 0.00 175.29 175.26 2dad s TYR 60 N 0.15 0.99 0.76 9.60 1.51 -0.45 -4.92 117.35 125.00 2dad s TYR 60 Ca -0.00 -1.00 -0.11 0.00 -1.01 0.00 0.00 57.07 54.95 2dad s TYR 60 Cb -0.02 -1.12 0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2dad s TYR 60 CO 0.00 -0.69 1.08 0.14 -1.11 0.00 0.00 175.55 174.97 2dad s VAL 61 N 1.87 3.48 -0.07 0.71 -7.23 -1.26 -1.91 120.40 115.99 2dad s VAL 61 Ca 0.03 0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.65 2dad s VAL 61 Cb -0.17 -3.13 0.04 0.00 0.56 0.00 0.00 36.38 33.68 2dad s VAL 61 CO -0.16 -0.63 0.14 -0.76 -0.31 0.00 0.00 175.10 173.38 2dad s LEU 62 N -5.77 0.34 0.74 1.32 1.43 0.87 -4.92 118.68 112.70 2dad s LEU 62 Ca 0.60 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2dad s LEU 62 Cb -0.15 0.27 0.05 0.00 0.03 0.00 0.00 46.19 46.38 2dad s LEU 62 CO 0.55 -0.20 1.10 -1.61 0.23 0.00 0.00 176.35 176.42 2dad s GLU 63 N 1.74 2.35 -0.07 1.70 2.02 -1.26 -1.82 118.70 123.36 2dad s GLU 63 Ca -0.03 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 2dad s GLU 63 Cb -0.12 -2.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.00 2dad s GLU 63 CO -0.05 -1.29 1.93 -2.00 0.02 0.00 0.00 175.26 173.87 2dad s GLU 64 N -5.40 3.86 0.00 1.61 -6.30 -1.26 -4.62 118.70 106.59 2dad s GLU 64 Ca 0.60 2.28 0.00 0.00 -2.50 0.00 0.00 54.97 55.35 2dad s GLU 64 Cb -0.11 -4.17 0.00 0.00 0.00 0.00 0.00 34.13 29.85 2dad s GLU 64 CO 0.49 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.91 2dad n GLY 65 N 4.79 1.92 3.51 -1.50 0.00 -1.17 -5.00 105.19 107.74 2dad n GLY 65 Ca 0.22 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 3.11 -0.50 1.61 3.76 -1.26 -2.70 115.29 117.31 2dad s HIS 66 Ca 0.00 -0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.60 2dad s HIS 66 Cb 0.00 -3.17 0.08 0.00 1.11 0.00 0.00 32.58 30.59 2dad s HIS 66 CO 0.00 -0.79 0.52 0.71 -0.85 0.00 0.00 174.74 174.32 2dad s TYR 67 N 2.57 3.15 0.24 1.40 2.02 -0.84 -4.92 117.35 120.97 2dad s TYR 67 Ca 0.19 -0.82 0.01 0.00 -0.37 0.00 0.00 57.07 56.07 2dad s TYR 67 Cb -0.15 -3.44 0.26 0.00 -0.40 0.00 0.00 41.96 38.23 2dad s TYR 67 CO 0.17 -0.95 1.60 -1.00 -1.57 0.00 0.00 175.55 173.80 2dad h PRO 68 N 8.89 0.46 -4.84 -1.71 0.13 -1.91 -2.65 132.00 130.37 2dad h PRO 68 Ca -0.28 -0.24 -0.35 0.00 -0.87 0.00 0.00 66.00 64.26 2dad h PRO 68 Cb 1.10 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 2dad h PRO 68 CO 0.94 0.81 -0.60 0.00 -0.23 0.00 0.00 178.00 178.93 2dad h LEU 70 N 2.38 0.35 -0.92 0.00 3.38 -1.68 -3.28 115.31 115.54 2dad h LEU 70 Ca -0.37 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.20 2dad h LEU 70 Cb 1.25 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2dad h LEU 70 CO 0.58 0.79 -0.46 -0.24 0.09 0.00 0.00 178.44 179.19 2dad n SER 71 N -4.56 -0.81 -0.15 -0.43 2.88 -1.24 0.21 113.62 109.53 2dad n SER 71 Ca -0.07 1.62 0.18 0.00 -1.33 0.00 0.00 58.87 59.28 2dad n SER 71 Cb 0.37 -0.28 0.56 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.81 2.28 -0.07 -1.46 0.00 -1.89 0.52 119.26 119.45 2dad h ALA 72 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dad h ALA 72 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dad h ALA 72 CO -0.89 -0.49 0.00 -1.33 0.00 0.00 0.00 179.25 176.54 2dad n MET 73 N -4.44 1.27 -1.48 0.00 2.00 0.57 -4.83 117.12 110.21 2dad n MET 73 Ca 0.15 -0.29 -0.17 0.00 0.00 0.00 0.00 57.70 57.39 2dad n MET 73 Cb 0.62 -1.28 -0.07 0.00 0.00 0.00 0.00 33.22 32.48 2dad n MET 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dad n GLY 74 N 0.38 1.60 3.82 3.03 0.00 0.18 -4.95 105.19 109.24 2dad n GLY 74 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.52 1.18 0.00 0.00 0.04 -1.26 -3.60 135.00 128.84 2dad s PRO 76 Ca 0.31 0.79 0.10 0.00 0.04 0.00 0.00 61.00 62.24 2dad s PRO 76 Cb -0.12 -1.80 0.58 0.00 0.04 0.00 0.00 34.50 33.20 2dad s PRO 76 CO 0.24 -2.29 1.03 -0.35 0.04 0.00 0.00 177.00 175.66 2dad n PRO 77 N -3.91 0.49 -3.12 0.56 -0.04 -1.26 -3.49 135.00 124.23 2dad n PRO 77 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2dad n PRO 77 Cb 0.55 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 2dad n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dad n GLY 78 N -0.02 3.10 3.15 0.55 0.00 -1.26 -5.08 105.19 105.63 2dad n GLY 78 Ca 0.07 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.92 2.45 -0.35 4.61 0.00 -1.23 -5.09 121.76 120.23 2dad s ALA 79 Ca 0.37 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2dad s ALA 79 Cb 0.32 -1.33 0.08 0.00 0.00 0.00 0.00 23.12 22.20 2dad s ALA 79 CO -0.08 -0.45 0.09 0.99 0.00 0.00 0.00 175.76 176.31 2dad s THR 80 N 1.31 2.98 0.31 0.00 2.01 -1.26 -4.43 115.64 116.57 2dad s THR 80 Ca 0.04 -1.84 -0.29 0.00 0.31 0.00 0.00 61.69 59.91 2dad s THR 80 Cb -0.14 -2.94 -0.11 0.00 0.01 0.00 0.00 72.50 69.33 2dad s THR 80 CO -0.10 -0.44 1.45 -0.36 -0.69 0.00 0.00 174.62 174.48 2dad s PHE 81 N 1.14 2.87 -0.02 4.92 0.08 -1.26 -4.41 117.98 121.30 2dad s PHE 81 Ca 0.03 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.22 2dad s PHE 81 Cb -0.21 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.32 2dad s PHE 81 CO -0.04 -2.72 0.03 1.63 -0.10 0.00 0.00 175.22 174.02 2dad n LYS 82 N 1.46 2.32 -4.03 0.44 5.02 0.93 -4.74 118.16 119.55 2dad n LYS 82 Ca 0.04 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2dad n LYS 82 Cb 0.40 -1.06 -0.09 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 -2.94 0.29 0.17 4.39 1.04 -1.12 -1.86 113.70 113.66 2dad s SER 83 Ca -0.01 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.52 2dad s SER 83 Cb 0.01 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 2dad s SER 83 CO 0.10 -0.71 -0.10 -0.76 0.98 0.00 0.00 173.24 172.75 2dad s LEU 84 N -2.95 2.51 -0.28 2.42 1.43 0.66 -2.27 118.68 120.20 2dad s LEU 84 Ca 0.12 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2dad s LEU 84 Cb 0.06 -0.44 0.17 0.00 0.03 0.00 0.00 46.19 46.02 2dad s LEU 84 CO -0.06 -0.30 0.53 -0.60 0.23 0.00 0.00 176.35 176.15 2dad s ARG 85 N -3.73 0.50 -0.52 1.70 3.52 -0.69 -2.99 118.95 116.74 2dad s ARG 85 Ca 0.19 0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 56.29 2dad s ARG 85 Cb 0.02 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2dad s ARG 85 CO 0.03 -0.70 1.79 0.12 -0.81 0.00 0.00 175.30 175.73 2dad s PHE 86 N 2.75 1.78 0.00 5.12 5.36 -1.26 -1.94 117.98 129.80 2dad s PHE 86 Ca 0.17 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.83 2dad s PHE 86 Cb -0.14 -4.13 -0.02 0.00 -0.34 0.00 0.00 43.02 38.39 2dad s PHE 86 CO -0.21 -2.44 0.98 0.82 -1.46 0.00 0.00 175.22 172.91 2dad h ILE 87 N 6.81 0.00 -2.13 3.12 2.04 -1.91 -3.49 117.51 121.94 2dad h ILE 87 Ca -0.28 -0.01 0.22 0.00 1.00 0.00 0.00 64.86 65.79 2dad h ILE 87 Cb 1.16 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 2dad h ILE 87 CO 1.16 0.00 0.58 -0.94 0.00 0.00 0.00 178.15 178.95 2dad s SER 88 N -2.23 -0.13 0.46 1.72 1.04 -1.26 -5.01 113.70 108.29 2dad s SER 88 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2dad s SER 88 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dad s SER 88 CO 0.04 -0.76 0.01 0.61 0.98 0.00 0.00 173.24 174.13 2dad n GLY 89 N -0.50 3.60 3.63 7.32 0.00 -1.26 -0.87 105.19 117.11 2dad n GLY 89 Ca -0.06 -2.35 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.65 3.87 -0.30 1.61 0.04 -1.26 -4.89 135.00 130.42 2dad s PRO 90 Ca 0.01 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 2dad s PRO 90 Cb -0.00 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.55 2dad s PRO 90 CO 0.01 -1.21 0.06 -1.12 0.04 0.00 0.00 177.00 174.78 2dad s SER 91 N 3.98 5.04 0.03 6.66 0.01 -1.26 -4.97 113.70 123.19 2dad s SER 91 Ca 0.70 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 2dad s SER 91 Cb -0.26 -1.84 -0.24 0.00 0.21 0.00 0.00 66.02 63.90 2dad s SER 91 CO 0.28 -0.22 1.12 0.77 0.41 0.00 0.00 173.24 175.60 2dad h SER 92 N 8.18 0.67 0.00 2.44 4.64 -2.08 -3.57 113.55 123.84 2dad h SER 92 Ca -0.29 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 2dad h SER 92 Cb 1.11 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2dad h SER 92 CO 0.59 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 178.52