#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg s SER 2 N 0.00 -0.49 -0.08 1.61 0.15 -1.26 -5.08 113.70 108.55 2dlg s SER 2 Ca 0.00 0.88 -0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dlg s SER 2 Cb 0.00 0.80 -0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2dlg s SER 2 CO 0.00 -0.18 -0.00 0.28 1.20 0.00 0.00 173.24 174.54 2dlg h SER 3 N 6.54 0.00 0.00 5.45 0.02 -2.14 -3.50 113.55 119.91 2dlg h SER 3 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2dlg h SER 3 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dlg h SER 3 CO 0.28 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2dlg n GLY 4 N 1.82 -0.60 3.24 -3.77 0.00 -1.26 -4.94 105.19 99.68 2dlg n GLY 4 Ca -0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 2dlg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlg s SER 5 N -4.00 2.98 -0.03 1.61 1.04 -1.26 -5.13 113.70 108.91 2dlg s SER 5 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2dlg s SER 5 Cb 0.00 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 65.17 2dlg s SER 5 CO 0.00 0.21 -0.15 -0.55 0.98 0.00 0.00 173.24 173.74 2dlg s SER 6 N -0.02 1.86 0.00 7.02 0.15 -1.26 -5.07 113.70 116.38 2dlg s SER 6 Ca -0.07 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2dlg s SER 6 Cb -0.15 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2dlg s SER 6 CO 0.05 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dlg n GLY 7 N 3.07 -0.35 3.77 9.45 0.00 -1.26 -5.12 105.19 114.75 2dlg n GLY 7 Ca -0.17 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2dlg n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dlg s ARG 8 N -1.37 4.70 -0.04 1.61 1.70 -1.26 -5.06 118.95 119.23 2dlg s ARG 8 Ca 0.00 1.34 -0.23 0.00 -0.47 0.00 0.00 55.73 56.38 2dlg s ARG 8 Cb 0.00 -3.16 0.05 0.00 -0.57 0.00 0.00 34.95 31.26 2dlg s ARG 8 CO 0.00 0.48 0.49 0.00 -1.08 0.00 0.00 175.30 175.19 2dlg s ALA 9 N -1.27 -1.26 0.88 7.88 0.00 -1.26 -5.17 121.76 121.55 2dlg s ALA 9 Ca 0.41 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2dlg s ALA 9 Cb -0.23 0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.01 2dlg s ALA 9 CO 0.28 -0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.57 2dlg s PRO 10 N -1.21 1.41 -0.11 0.00 0.04 -1.26 -5.06 135.00 128.82 2dlg s PRO 10 Ca -0.12 0.87 0.03 0.00 0.04 0.00 0.00 61.00 61.83 2dlg s PRO 10 Cb -0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2dlg s PRO 10 CO 0.07 -2.15 -0.22 0.45 0.04 0.00 0.00 177.00 175.19 2dlg s SER 11 N -3.42 2.92 -0.05 6.66 0.15 -1.26 -4.94 113.70 113.76 2dlg s SER 11 Ca 0.63 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2dlg s SER 11 Cb -0.18 -1.34 -0.31 0.00 -1.71 0.00 0.00 66.02 62.49 2dlg s SER 11 CO 0.57 0.12 0.65 -0.37 1.20 0.00 0.00 173.24 175.41 2dlg h VAL 12 N 5.77 0.91 -3.02 4.45 -1.51 -1.98 -3.47 116.25 117.41 2dlg h VAL 12 Ca -0.24 -2.50 -0.65 0.00 -1.23 0.00 0.00 66.70 62.08 2dlg h VAL 12 Cb 1.22 2.75 -0.08 0.00 -2.13 0.00 0.00 31.29 33.04 2dlg h VAL 12 CO 0.49 0.86 -0.55 0.00 -1.23 0.00 0.00 177.57 177.14 2dlg s ALA 13 N -2.58 3.69 0.15 5.19 0.00 -1.26 -5.09 121.76 121.87 2dlg s ALA 13 Ca -0.16 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2dlg s ALA 13 Cb 0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2dlg s ALA 13 CO 0.85 0.71 0.15 0.99 0.00 0.00 0.00 175.76 178.46 2dlg s THR 14 N -1.24 4.62 0.21 0.00 2.01 -1.26 -2.87 115.64 117.11 2dlg s THR 14 Ca 0.24 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2dlg s THR 14 Cb -0.12 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 2dlg s THR 14 CO 0.16 -0.08 1.01 0.54 -0.69 0.00 0.00 174.62 175.56 2dlg s VAL 15 N -1.71 3.99 0.00 3.82 0.11 -1.22 -3.78 120.40 121.62 2dlg s VAL 15 Ca 0.31 1.86 0.00 0.00 -2.93 0.00 0.00 61.98 61.22 2dlg s VAL 15 Cb -0.10 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 2dlg s VAL 15 CO 0.24 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 2dlg n GLY 16 N 1.70 1.10 3.76 6.54 0.00 -1.25 -4.55 105.19 112.50 2dlg n GLY 16 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 17 N 0.00 6.83 0.14 1.61 0.01 -1.25 -4.81 113.70 116.24 2dlg s SER 17 Ca 0.00 2.60 -0.31 0.00 1.31 0.00 0.00 55.95 59.54 2dlg s SER 17 Cb 0.00 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 2dlg s SER 17 CO 0.00 -0.51 1.64 -0.63 0.41 0.00 0.00 173.24 174.15 2dlg s ILE 18 N -0.83 2.64 -0.20 1.44 -1.09 -1.26 -4.51 121.20 117.39 2dlg s ILE 18 Ca 0.51 0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 59.12 2dlg s ILE 18 Cb -0.39 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2dlg s ILE 18 CO 0.48 0.02 0.43 0.00 -1.23 0.00 0.00 174.94 174.64 2dlg s ASP 20 N 1.10 5.10 -0.39 0.00 1.01 -1.23 -3.24 116.67 119.02 2dlg s ASP 20 Ca 0.20 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.27 2dlg s ASP 20 Cb -0.15 -1.88 0.08 0.00 1.01 0.00 0.00 42.92 41.98 2dlg s ASP 20 CO 0.08 0.07 0.19 -0.22 0.21 0.00 0.00 175.17 175.51 2dlg s LEU 21 N 0.96 4.93 -0.17 1.23 2.96 -0.85 -4.87 118.68 122.88 2dlg s LEU 21 Ca 0.03 -1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 52.12 2dlg s LEU 21 Cb -0.14 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2dlg s LEU 21 CO 0.02 -0.48 0.74 0.20 -1.32 0.00 0.00 176.35 175.51 2dlg s ASN 22 N 1.86 6.86 -0.10 3.68 0.01 -1.25 -2.59 114.94 123.41 2dlg s ASN 22 Ca 0.03 1.05 -0.01 0.00 -0.71 0.00 0.00 52.86 53.22 2dlg s ASN 22 Cb -0.22 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.06 2dlg s ASN 22 CO -0.00 -0.31 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.49 2dlg s LEU 23 N 1.88 0.90 -0.65 0.60 1.43 -0.62 -4.97 118.68 117.25 2dlg s LEU 23 Ca 0.35 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 2dlg s LEU 23 Cb -0.16 -0.62 0.15 0.00 0.03 0.00 0.00 46.19 45.58 2dlg s LEU 23 CO 0.12 -0.17 0.63 -0.75 0.23 0.00 0.00 176.35 176.41 2dlg s LYS 24 N 1.85 3.20 -0.25 1.70 2.20 -1.26 -1.78 119.74 125.40 2dlg s LYS 24 Ca 0.04 -1.88 -0.03 0.00 -0.36 0.00 0.00 55.97 53.75 2dlg s LYS 24 Cb -0.13 -4.36 0.11 0.00 -1.51 0.00 0.00 37.83 31.95 2dlg s LYS 24 CO -0.07 -1.37 0.23 0.42 -0.36 0.00 0.00 175.35 174.21 2dlg s ILE 25 N 1.38 -0.31 0.24 5.43 1.01 -1.23 -5.02 121.20 122.70 2dlg s ILE 25 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2dlg s ILE 25 Cb -0.22 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 2dlg s ILE 25 CO -0.00 -0.38 1.61 1.55 0.00 0.00 0.00 174.94 177.72 2dlg h PRO 26 N 8.31 0.43 -0.20 2.79 0.13 -1.89 -3.20 132.00 138.37 2dlg h PRO 26 Ca -0.16 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2dlg h PRO 26 Cb 1.10 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2dlg h PRO 26 CO 0.32 0.80 0.13 1.49 -0.23 0.00 0.00 178.00 180.51 2dlg h GLU 27 N 0.35 0.26 -6.45 0.86 4.81 -1.95 -3.43 114.58 109.04 2dlg h GLU 27 Ca 0.03 -0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2dlg h GLU 27 Cb 0.92 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2dlg h GLU 27 CO 0.08 0.17 -0.11 0.42 -0.73 0.00 0.00 179.01 178.84 2dlg s ILE 28 N -6.18 4.94 -0.02 2.32 1.01 -1.21 -5.10 121.20 116.97 2dlg s ILE 28 Ca -0.13 0.42 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2dlg s ILE 28 Cb 0.08 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2dlg s ILE 28 CO 0.69 -0.11 -0.23 0.20 0.00 0.00 0.00 174.94 175.49 2dlg s ASN 29 N -2.47 2.72 0.22 3.58 -0.87 -1.26 -4.80 114.94 112.05 2dlg s ASN 29 Ca 0.47 -0.42 -0.08 0.00 -1.57 0.00 0.00 52.86 51.25 2dlg s ASN 29 Cb -0.11 -0.37 0.35 0.00 -0.02 0.00 0.00 41.25 41.10 2dlg s ASN 29 CO 0.22 0.27 1.69 0.77 -2.57 0.00 0.00 177.10 177.49 2dlg h SER 30 N 5.64 -0.03 -0.92 -1.22 4.64 -1.89 0.33 113.55 120.11 2dlg h SER 30 Ca -0.40 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 2dlg h SER 30 Cb 1.14 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 2dlg h SER 30 CO 0.47 -0.02 0.57 0.28 -0.87 0.00 0.00 176.83 177.26 2dlg h SER 31 N 0.25 0.87 -0.42 4.97 0.02 -1.96 0.46 113.55 117.74 2dlg h SER 31 Ca 0.35 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.19 2dlg h SER 31 Cb 0.55 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.86 2dlg h SER 31 CO -0.45 0.52 0.18 0.47 -1.14 0.00 0.00 176.83 176.41 2dlg n ASP 32 N -4.62 3.44 -4.61 3.07 8.00 0.04 -4.89 116.55 116.98 2dlg n ASP 32 Ca 0.15 -2.67 -0.28 0.00 0.71 0.00 0.00 54.79 52.70 2dlg n ASP 32 Cb 0.24 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2dlg s MET 33 N -1.82 1.96 -0.27 -1.24 -1.94 0.15 -4.42 119.30 111.71 2dlg s MET 33 Ca 0.29 -2.13 -0.03 0.00 -1.71 0.00 0.00 55.69 52.11 2dlg s MET 33 Cb 0.24 -1.51 0.16 0.00 2.01 0.00 0.00 34.83 35.72 2dlg s MET 33 CO 0.07 -0.12 0.52 -1.54 -0.01 0.00 0.00 175.02 173.94 2dlg s SER 34 N -3.71 -0.77 -0.12 3.03 1.04 -1.25 -5.00 113.70 106.93 2dlg s SER 34 Ca 0.31 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.46 2dlg s SER 34 Cb 0.08 1.80 -0.04 0.00 0.10 0.00 0.00 66.02 67.96 2dlg s SER 34 CO 0.15 -0.26 0.10 0.00 0.98 0.00 0.00 173.24 174.21 2dlg s ALA 35 N 2.75 3.70 -0.10 5.32 0.00 -1.26 -3.74 121.76 128.42 2dlg s ALA 35 Ca 0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 2dlg s ALA 35 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.16 2dlg s ALA 35 CO -0.18 0.57 -0.02 -1.01 0.00 0.00 0.00 175.76 175.12 2dlg s HIS 36 N -0.87 1.02 -0.80 0.00 3.76 -1.06 -0.29 115.29 117.04 2dlg s HIS 36 Ca 0.14 -0.47 -0.23 0.00 -0.15 0.00 0.00 55.06 54.35 2dlg s HIS 36 Cb -0.12 -0.99 0.07 0.00 1.11 0.00 0.00 32.58 32.65 2dlg s HIS 36 CO 0.03 -0.43 1.16 0.08 -0.85 0.00 0.00 174.74 174.73 2dlg s VAL 37 N 1.86 4.21 0.18 -0.90 1.01 0.29 -2.64 120.40 124.41 2dlg s VAL 37 Ca 0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2dlg s VAL 37 Cb -0.13 -4.83 -0.08 0.00 0.00 0.00 0.00 36.38 31.34 2dlg s VAL 37 CO -0.07 -1.65 0.75 -0.89 0.00 0.00 0.00 175.10 173.25 2dlg s THR 38 N 4.29 4.45 0.15 3.92 2.01 -0.83 -1.95 115.64 127.69 2dlg s THR 38 Ca 0.32 1.54 0.03 0.00 0.31 0.00 0.00 61.69 63.89 2dlg s THR 38 Cb -0.09 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2dlg s THR 38 CO 0.03 0.41 0.23 -0.44 -0.69 0.00 0.00 174.62 174.16 2dlg s SER 39 N -1.32 6.03 0.00 3.53 0.01 0.32 -1.72 113.70 120.55 2dlg s SER 39 Ca 0.38 0.06 0.15 0.00 1.31 0.00 0.00 55.95 57.86 2dlg s SER 39 Cb -0.21 -1.74 0.89 0.00 0.21 0.00 0.00 66.02 65.18 2dlg s SER 39 CO 0.24 0.06 1.35 -0.81 0.41 0.00 0.00 173.24 174.49 2dlg n PRO 40 N -0.43 0.44 -0.01 12.44 -0.04 -1.15 -2.04 135.00 144.20 2dlg n PRO 40 Ca -0.07 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2dlg n PRO 40 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2dlg n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dlg n SER 41 N -1.05 1.41 0.00 3.54 3.41 -1.26 -4.99 113.62 114.68 2dlg n SER 41 Ca 0.11 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2dlg n SER 41 Cb 0.06 1.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 2dlg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlg n GLY 42 N 1.61 1.95 3.15 5.00 0.00 -0.87 -5.12 105.19 110.91 2dlg n GLY 42 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2dlg n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 43 N -0.07 2.67 -0.05 1.61 3.52 -1.25 -4.90 118.95 120.48 2dlg s ARG 43 Ca 0.00 -1.07 0.06 0.00 -0.13 0.00 0.00 55.73 54.59 2dlg s ARG 43 Cb 0.00 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 2dlg s ARG 43 CO 0.00 -0.42 -0.24 0.54 -0.81 0.00 0.00 175.30 174.37 2dlg s VAL 44 N 1.25 1.94 0.30 7.11 0.11 -1.26 0.12 120.40 129.98 2dlg s VAL 44 Ca -0.02 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 2dlg s VAL 44 Cb -0.17 -1.64 -0.06 0.00 -1.53 0.00 0.00 36.38 32.98 2dlg s VAL 44 CO -0.06 0.54 0.02 0.42 -3.33 0.00 0.00 175.10 172.70 2dlg s THR 45 N -0.24 1.26 -0.13 5.04 -4.23 -0.82 -4.93 115.64 111.60 2dlg s THR 45 Ca -0.00 -2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 2dlg s THR 45 Cb -0.12 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2dlg s THR 45 CO 0.02 -0.11 0.62 -0.70 -0.54 0.00 0.00 174.62 173.91 2dlg s GLU 46 N -3.85 4.33 0.33 3.99 2.12 -1.26 -0.55 118.70 123.81 2dlg s GLU 46 Ca 0.34 0.68 0.04 0.00 0.36 0.00 0.00 54.97 56.39 2dlg s GLU 46 Cb 0.07 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2dlg s GLU 46 CO 0.14 -0.03 0.49 0.00 -0.54 0.00 0.00 175.26 175.32 2dlg s ALA 47 N 1.17 4.01 -0.03 6.30 0.00 0.60 -4.89 121.76 128.91 2dlg s ALA 47 Ca 0.31 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 2dlg s ALA 47 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2dlg s ALA 47 CO 0.13 -0.02 0.04 -2.00 0.00 0.00 0.00 175.76 173.91 2dlg s GLU 48 N -4.21 2.98 -0.73 0.00 2.12 -1.26 -4.42 118.70 113.19 2dlg s GLU 48 Ca 0.42 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.21 2dlg s GLU 48 Cb -0.09 -2.80 0.19 0.00 0.26 0.00 0.00 34.13 31.68 2dlg s GLU 48 CO 0.32 0.66 0.58 0.42 -0.54 0.00 0.00 175.26 176.70 2dlg s ILE 49 N -1.09 4.23 0.21 -3.70 1.01 -1.26 -3.12 121.20 117.48 2dlg s ILE 49 Ca 0.19 -3.08 -0.32 0.00 0.00 0.00 0.00 60.65 57.45 2dlg s ILE 49 Cb -0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 2dlg s ILE 49 CO 0.10 -0.95 1.72 0.52 0.00 0.00 0.00 174.94 176.32 2dlg n VAL 50 N 3.31 0.07 -2.05 2.92 0.31 -0.10 -4.73 118.33 118.06 2dlg n VAL 50 Ca 0.12 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 64.16 2dlg n VAL 50 Cb 0.39 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.29 2dlg n VAL 50 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2dlg s PRO 51 N 1.05 2.55 0.03 5.55 0.04 -1.26 -2.85 135.00 140.11 2dlg s PRO 51 Ca 0.74 -0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.19 2dlg s PRO 51 Cb -0.51 -5.08 -0.12 0.00 0.04 0.00 0.00 34.50 28.83 2dlg s PRO 51 CO 0.33 -3.43 1.21 0.52 0.04 0.00 0.00 177.00 175.67 2dlg h MET 52 N 11.14 -0.78 0.00 4.56 2.86 -1.90 -3.50 114.93 127.31 2dlg h MET 52 Ca 0.11 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dlg h MET 52 Cb 1.00 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2dlg h MET 52 CO 1.21 -0.52 0.00 0.41 1.06 0.00 0.00 176.91 179.07 2dlg n GLY 53 N -1.04 -0.22 3.52 8.32 0.00 -1.26 -4.98 105.19 109.53 2dlg n GLY 53 Ca -0.10 0.50 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 2dlg n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dlg n LYS 54 N 0.00 0.24 -2.18 1.61 3.00 -1.26 -2.20 118.16 117.37 2dlg n LYS 54 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 2dlg n LYS 54 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 35.03 33.02 2dlg n LYS 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dlg n ASN 55 N 10.78 -0.84 -4.84 3.14 3.02 -1.26 -4.77 115.26 120.49 2dlg n ASN 55 Ca 0.59 0.42 -0.33 0.00 -0.03 0.00 0.00 54.58 55.23 2dlg n ASN 55 Cb 0.23 -0.84 -0.06 0.00 -0.61 0.00 0.00 39.78 38.50 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dlg s SER 56 N -1.68 6.83 -0.05 6.41 0.01 -0.94 -3.57 113.70 120.71 2dlg s SER 56 Ca 0.00 1.26 0.05 0.00 1.31 0.00 0.00 55.95 58.57 2dlg s SER 56 Cb 0.00 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2dlg s SER 56 CO 0.00 -0.11 -0.20 -1.00 0.41 0.00 0.00 173.24 172.34 2dlg s HIS 57 N -1.82 1.99 -0.23 2.43 0.09 -0.74 -3.66 115.29 113.36 2dlg s HIS 57 Ca 0.50 -0.59 -0.02 0.00 -0.00 0.00 0.00 55.06 54.95 2dlg s HIS 57 Cb -0.12 -1.33 0.07 0.00 -0.00 0.00 0.00 32.58 31.20 2dlg s HIS 57 CO 0.19 -0.19 0.02 0.00 -0.00 0.00 0.00 174.74 174.76 2dlg s VAL 59 N 1.69 5.07 -0.16 0.00 1.01 -1.07 -0.93 120.40 126.02 2dlg s VAL 59 Ca -0.00 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2dlg s VAL 59 Cb -0.18 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2dlg s VAL 59 CO -0.10 0.16 -0.18 -0.13 0.00 0.00 0.00 175.10 174.84 2dlg s ARG 60 N 1.66 3.11 0.15 2.72 0.52 -1.18 -2.00 118.95 123.93 2dlg s ARG 60 Ca 0.27 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.48 2dlg s ARG 60 Cb -0.16 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 32.81 2dlg s ARG 60 CO 0.10 -0.04 0.52 -0.59 0.02 0.00 0.00 175.30 175.31 2dlg s PHE 61 N 0.92 -0.36 -0.47 -0.53 -0.12 -1.20 -4.28 117.98 111.95 2dlg s PHE 61 Ca -0.04 0.09 -0.11 0.00 -0.05 0.00 0.00 56.93 56.83 2dlg s PHE 61 Cb -0.15 0.44 0.11 0.00 -0.63 0.00 0.00 43.02 42.79 2dlg s PHE 61 CO -0.03 -0.81 0.35 0.08 -0.05 0.00 0.00 175.22 174.76 2dlg s VAL 62 N -3.79 4.44 1.25 -2.49 1.01 -1.26 -1.64 120.40 117.93 2dlg s VAL 62 Ca 0.03 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.19 2dlg s VAL 62 Cb -0.00 -3.84 0.31 0.00 0.00 0.00 0.00 36.38 32.84 2dlg s VAL 62 CO -0.11 -0.72 1.11 -2.16 0.00 0.00 0.00 175.10 173.23 2dlg s PRO 63 N 1.43 -1.63 0.46 2.72 0.04 -1.26 -4.92 135.00 131.84 2dlg s PRO 63 Ca 0.05 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 60.95 2dlg s PRO 63 Cb -0.26 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2dlg s PRO 63 CO 0.01 -3.95 0.41 -0.65 0.04 0.00 0.00 177.00 172.86 2dlg s GLN 64 N -5.52 2.44 0.11 4.56 -1.52 -1.26 -3.75 119.66 114.71 2dlg s GLN 64 Ca 0.72 -1.67 -0.27 0.00 -1.95 0.00 0.00 55.36 52.19 2dlg s GLN 64 Cb -0.07 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.33 2dlg s GLN 64 CO 0.56 -0.35 0.86 -1.83 -0.25 0.00 0.00 175.29 174.27 2dlg s GLU 65 N -4.21 4.62 -1.70 2.91 -1.05 -1.26 -3.91 118.70 114.10 2dlg s GLU 65 Ca 0.46 1.26 -0.13 0.00 -0.15 0.00 0.00 54.97 56.41 2dlg s GLU 65 Cb -0.03 -3.35 0.13 0.00 -0.44 0.00 0.00 34.13 30.44 2dlg s GLU 65 CO 0.27 0.32 0.44 -1.33 0.95 0.00 0.00 175.26 175.91 2dlg n MET 66 N 2.50 -1.56 -4.53 -4.83 2.81 -1.20 -4.92 117.12 105.39 2dlg n MET 66 Ca -0.01 0.20 -0.26 0.00 -1.81 0.00 0.00 57.70 55.82 2dlg n MET 66 Cb 0.49 -4.44 -0.17 0.00 -0.71 0.00 0.00 33.22 28.40 2dlg n MET 66 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dlg s GLY 67 N -3.72 0.87 -0.42 3.03 0.00 -1.24 -4.95 107.32 100.89 2dlg s GLY 67 Ca 0.48 -0.51 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 2dlg s GLY 67 CO 0.99 0.18 0.81 0.14 0.00 0.00 0.00 173.10 175.22 2dlg s VAL 68 N 0.81 4.65 0.54 1.40 1.01 -1.26 -2.99 120.40 124.57 2dlg s VAL 68 Ca -0.11 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.61 2dlg s VAL 68 Cb -0.15 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 31.99 2dlg s VAL 68 CO 0.02 -0.62 0.60 -1.00 0.00 0.00 0.00 175.10 174.10 2dlg s HIS 69 N 3.29 1.66 -0.03 5.22 3.76 -0.98 -2.95 115.29 125.25 2dlg s HIS 69 Ca 0.32 -0.74 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2dlg s HIS 69 Cb -0.12 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.50 2dlg s HIS 69 CO 0.21 -0.78 0.05 0.99 -0.85 0.00 0.00 174.74 174.36 2dlg s THR 70 N -2.68 -0.09 -0.53 1.30 2.01 -0.70 -2.72 115.64 112.23 2dlg s THR 70 Ca 0.50 0.32 -0.19 0.00 0.31 0.00 0.00 61.69 62.62 2dlg s THR 70 Cb -0.04 -0.12 0.07 0.00 0.01 0.00 0.00 72.50 72.41 2dlg s THR 70 CO 0.31 0.13 0.67 -0.69 -0.69 0.00 0.00 174.62 174.35 2dlg s VAL 71 N 1.59 4.82 -0.39 3.82 1.01 0.57 -1.96 120.40 129.87 2dlg s VAL 71 Ca -0.03 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2dlg s VAL 71 Cb -0.12 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.90 2dlg s VAL 71 CO -0.03 -0.91 0.70 -0.44 0.00 0.00 0.00 175.10 174.43 2dlg s SER 72 N 2.91 6.44 -0.38 3.32 0.01 -1.08 -1.44 113.70 123.48 2dlg s SER 72 Ca 0.16 0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.54 2dlg s SER 72 Cb -0.20 -2.35 0.11 0.00 0.21 0.00 0.00 66.02 63.78 2dlg s SER 72 CO 0.11 -0.71 0.09 -0.69 0.41 0.00 0.00 173.24 172.45 2dlg s VAL 73 N 2.93 2.30 0.15 3.43 1.01 -1.26 -2.57 120.40 126.40 2dlg s VAL 73 Ca 0.27 -2.52 0.03 0.00 0.00 0.00 0.00 61.98 59.76 2dlg s VAL 73 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2dlg s VAL 73 CO 0.17 -0.64 0.26 -0.54 0.00 0.00 0.00 175.10 174.35 2dlg s LYS 74 N 0.68 3.36 -0.34 2.72 1.02 -1.25 -3.11 119.74 122.82 2dlg s LYS 74 Ca 0.12 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 2dlg s LYS 74 Cb -0.20 -2.92 0.11 0.00 -0.52 0.00 0.00 37.83 34.30 2dlg s LYS 74 CO -0.07 0.52 0.14 -0.47 -0.92 0.00 0.00 175.35 174.55 2dlg s TYR 75 N -1.74 1.59 -1.48 3.18 5.04 0.13 -3.92 117.35 120.15 2dlg s TYR 75 Ca 0.34 -1.83 -0.02 0.00 -2.44 0.00 0.00 57.07 53.12 2dlg s TYR 75 Cb -0.11 -1.63 0.00 0.00 0.35 0.00 0.00 41.96 40.57 2dlg s TYR 75 CO 0.28 -0.85 0.26 0.54 -1.34 0.00 0.00 175.55 174.44 2dlg n ARG 76 N 4.50 -2.87 -1.47 4.97 1.74 -1.26 -2.69 116.66 119.57 2dlg n ARG 76 Ca 0.02 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2dlg n ARG 76 Cb 0.40 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 2dlg n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dlg n GLY 77 N -1.22 0.96 3.11 -0.13 0.00 -1.26 -5.08 105.19 101.56 2dlg n GLY 77 Ca -0.16 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2dlg n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlg s GLN 78 N -3.11 0.24 -0.26 1.61 1.03 -1.10 -5.12 119.66 112.95 2dlg s GLN 78 Ca 0.00 0.69 -0.29 0.00 0.04 0.00 0.00 55.36 55.80 2dlg s GLN 78 Cb 0.00 -0.04 -0.00 0.00 0.03 0.00 0.00 33.01 33.00 2dlg s GLN 78 CO 0.00 -0.20 1.28 -1.01 -2.54 0.00 0.00 175.29 172.82 2dlg s HIS 79 N 1.71 2.75 1.06 9.60 3.76 -1.26 0.18 115.29 133.10 2dlg s HIS 79 Ca -0.06 0.93 -0.12 0.00 -0.15 0.00 0.00 55.06 55.66 2dlg s HIS 79 Cb -0.10 -3.78 0.22 0.00 1.11 0.00 0.00 32.58 30.02 2dlg s HIS 79 CO -0.10 -1.65 0.99 1.33 -0.85 0.00 0.00 174.74 174.46 2dlg n VAL 80 N 5.96 0.00 -1.68 -0.90 0.24 -1.18 -4.85 118.33 115.92 2dlg n VAL 80 Ca 0.14 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.34 61.75 2dlg n VAL 80 Cb 0.46 -0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 31.83 2dlg n VAL 80 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2dlg n THR 81 N -4.62 0.45 0.00 3.34 -1.04 -1.26 -2.24 114.28 108.92 2dlg n THR 81 Ca 0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2dlg n THR 81 Cb 0.53 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 2dlg n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dlg n GLY 82 N 4.25 2.90 3.75 3.41 0.00 -1.26 -5.03 105.19 113.20 2dlg n GLY 82 Ca 0.19 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 2dlg n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlg s SER 83 N 0.00 4.96 0.20 1.61 1.04 -0.95 -4.06 113.70 116.50 2dlg s SER 83 Ca 0.00 2.45 -0.30 0.00 0.48 0.00 0.00 55.95 58.58 2dlg s SER 83 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 2dlg s SER 83 CO 0.00 -1.75 1.30 -2.16 0.98 0.00 0.00 173.24 171.61 2dlg s PRO 84 N -3.38 4.39 -0.34 4.02 0.04 -1.26 -4.65 135.00 133.82 2dlg s PRO 84 Ca 0.79 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.62 2dlg s PRO 84 Cb -0.32 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.03 2dlg s PRO 84 CO 0.36 -0.24 0.89 -0.06 0.04 0.00 0.00 177.00 177.98 2dlg s PHE 85 N 0.10 3.14 -0.16 0.56 0.08 -0.52 -4.86 117.98 116.31 2dlg s PHE 85 Ca 0.56 0.84 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 2dlg s PHE 85 Cb -0.36 -3.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.57 2dlg s PHE 85 CO 0.38 -0.71 0.19 -1.14 -0.10 0.00 0.00 175.22 173.84 2dlg s GLN 86 N 3.28 4.05 0.04 0.44 0.74 -1.26 -0.31 119.66 126.63 2dlg s GLN 86 Ca 0.37 -0.08 -0.00 0.00 0.05 0.00 0.00 55.36 55.70 2dlg s GLN 86 Cb -0.13 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2dlg s GLN 86 CO 0.16 0.40 -0.03 -0.59 -0.55 0.00 0.00 175.29 174.67 2dlg s PHE 87 N 0.05 0.43 -0.14 1.67 -0.12 -1.10 -5.02 117.98 113.74 2dlg s PHE 87 Ca 0.13 -0.78 -0.00 0.00 -0.05 0.00 0.00 56.93 56.23 2dlg s PHE 87 Cb -0.12 -0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2dlg s PHE 87 CO 0.02 -0.26 -0.13 0.99 -0.05 0.00 0.00 175.22 175.79 2dlg s THR 88 N -2.60 3.00 0.10 -4.49 2.01 -1.26 -2.33 115.64 110.06 2dlg s THR 88 Ca -0.05 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 2dlg s THR 88 Cb -0.02 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 2dlg s THR 88 CO -0.05 0.52 0.51 -0.69 -0.69 0.00 0.00 174.62 174.22 2dlg s VAL 89 N 0.51 4.89 0.00 3.82 1.01 -1.16 -3.87 120.40 125.59 2dlg s VAL 89 Ca -0.09 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2dlg s VAL 89 Cb -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2dlg s VAL 89 CO 0.04 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2dlg n GLY 90 N 1.20 6.28 3.77 4.51 0.00 -1.14 -3.25 105.19 116.56 2dlg n GLY 90 Ca -0.08 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 2dlg n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 91 N 1.59 4.27 0.65 1.61 0.04 -1.26 -3.38 135.00 138.52 2dlg s PRO 91 Ca 0.00 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.25 2dlg s PRO 91 Cb 0.00 -2.92 1.29 0.00 0.04 0.00 0.00 34.50 32.92 2dlg s PRO 91 CO 0.00 -0.18 1.72 1.37 0.04 0.00 0.00 177.00 179.96 2dlg h LEU 92 N 3.12 0.00 0.00 -3.56 -0.00 -1.95 -3.41 115.31 109.51 2dlg h LEU 92 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2dlg h LEU 92 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2dlg h LEU 92 CO 0.64 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.69 2dlg n GLY 93 N -1.27 0.84 3.73 0.17 0.00 -1.26 -4.87 105.19 102.53 2dlg n GLY 93 Ca -0.02 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2dlg n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dlg s GLU 94 N -2.00 4.46 0.00 1.61 -6.30 -1.26 -4.56 118.70 110.64 2dlg s GLU 94 Ca 0.00 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.34 2dlg s GLU 94 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 30.86 2dlg s GLU 94 CO 0.00 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2dlg n GLY 95 N 2.61 -1.04 0.00 -1.50 0.00 -1.26 -5.15 105.19 98.84 2dlg n GLY 95 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2dlg n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dlg n GLY 96 N 0.00 2.23 3.68 -0.02 0.00 -1.26 -5.05 105.19 104.77 2dlg n GLY 96 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2dlg n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlg s SER 97 N 0.00 3.13 0.49 1.61 1.04 -1.26 -4.92 113.70 113.79 2dlg s SER 97 Ca 0.00 1.90 -0.21 0.00 0.48 0.00 0.00 55.95 58.11 2dlg s SER 97 Cb 0.00 -2.46 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 2dlg s SER 97 CO 0.00 -2.92 0.85 0.61 0.98 0.00 0.00 173.24 172.75 2dlg n GLY 98 N -0.28 -0.65 3.58 7.32 0.00 -1.26 -4.98 105.19 108.93 2dlg n GLY 98 Ca 0.09 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2dlg n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 99 N -2.16 -1.45 0.17 1.61 0.04 -1.26 -5.10 135.00 126.86 2dlg s PRO 99 Ca 0.67 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 2dlg s PRO 99 Cb -0.51 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2dlg s PRO 99 CO 0.54 -3.84 0.42 -1.12 0.04 0.00 0.00 177.00 173.03 2dlg s SER 100 N -3.96 -0.14 0.35 6.66 0.01 -1.26 -5.17 113.70 110.19 2dlg s SER 100 Ca 0.72 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 57.29 2dlg s SER 100 Cb -0.08 0.51 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 2dlg s SER 100 CO 0.56 -0.96 0.69 -0.94 0.41 0.00 0.00 173.24 173.00 2dlg s SER 101 N -2.89 6.54 0.00 2.44 1.04 -1.26 -5.33 113.70 114.24 2dlg s SER 101 Ca 0.11 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2dlg s SER 101 Cb 0.01 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2dlg s SER 101 CO -0.04 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.50