#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 5.70 -0.89 1.61 0.15 -1.26 -5.04 113.70 113.98 2dlg s SER 2 Ca 0.00 -0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.40 2dlg s SER 2 Cb 0.00 -2.03 0.06 0.00 -1.71 0.00 0.00 66.02 62.35 2dlg s SER 2 CO 0.00 0.03 1.28 -0.55 1.20 0.00 0.00 173.24 175.20 2dlg s SER 3 N 1.26 6.40 0.57 5.45 0.15 -1.26 -4.87 113.70 121.40 2dlg s SER 3 Ca 0.06 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2dlg s SER 3 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dlg s SER 3 CO 0.05 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.61 2dlg n GLY 4 N 6.06 -3.02 3.64 9.45 0.00 -1.26 -5.04 105.19 115.02 2dlg n GLY 4 Ca 0.19 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -7.07 -0.42 -1.69 1.61 1.04 -1.26 -4.96 113.70 100.94 2dlg s SER 5 Ca 0.00 0.82 -0.18 0.00 0.48 0.00 0.00 55.95 57.07 2dlg s SER 5 Cb 0.00 0.83 0.15 0.00 0.10 0.00 0.00 66.02 67.11 2dlg s SER 5 CO 0.00 -0.14 0.79 -1.20 0.98 0.00 0.00 173.24 173.67 2dlg n SER 6 N 2.18 -3.32 0.00 7.02 7.64 -1.26 -3.47 113.62 122.41 2dlg n SER 6 Ca -0.12 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2dlg n SER 6 Cb 0.56 -2.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 2dlg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlg n GLY 7 N -1.42 1.08 3.57 0.23 0.00 -1.26 -4.48 105.19 102.90 2dlg n GLY 7 Ca 0.07 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 2dlg n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dlg s ARG 8 N 0.00 2.14 0.56 1.61 3.00 -1.26 -4.93 118.95 120.07 2dlg s ARG 8 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 55.73 55.00 2dlg s ARG 8 Cb 0.00 -5.10 -0.03 0.00 0.00 0.00 0.00 34.95 29.81 2dlg s ARG 8 CO 0.00 -4.22 0.91 0.00 0.00 0.00 0.00 175.30 171.99 2dlg s ALA 9 N 12.47 3.25 0.02 2.13 0.00 -1.23 -4.99 121.76 133.41 2dlg s ALA 9 Ca 0.74 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 2dlg s ALA 9 Cb -0.04 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 2dlg s ALA 9 CO 0.11 -0.55 1.43 -1.25 0.00 0.00 0.00 175.76 175.50 2dlg s PRO 10 N -4.97 4.28 -0.54 0.00 0.04 -1.26 -4.97 135.00 127.58 2dlg s PRO 10 Ca 0.51 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 2dlg s PRO 10 Cb -0.11 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 30.93 2dlg s PRO 10 CO 0.49 -0.58 1.08 -1.54 0.04 0.00 0.00 177.00 176.49 2dlg s SER 11 N 1.85 6.46 0.36 6.66 1.04 -1.26 -4.89 113.70 123.92 2dlg s SER 11 Ca 0.65 0.05 0.06 0.00 0.48 0.00 0.00 55.95 57.19 2dlg s SER 11 Cb -0.33 -2.51 0.68 0.00 0.10 0.00 0.00 66.02 63.96 2dlg s SER 11 CO 0.28 -1.31 1.91 -0.37 0.98 0.00 0.00 173.24 174.73 2dlg h VAL 12 N 6.12 1.18 -3.21 5.02 -1.51 -1.94 -3.42 116.25 118.49 2dlg h VAL 12 Ca -0.25 -0.67 -0.64 0.00 -1.23 0.00 0.00 66.70 63.91 2dlg h VAL 12 Cb 1.06 0.90 -0.15 0.00 -2.13 0.00 0.00 31.29 30.97 2dlg h VAL 12 CO 1.13 0.23 -0.58 0.00 -1.23 0.00 0.00 177.57 177.12 2dlg s ALA 13 N -5.03 3.38 -0.06 5.19 0.00 -1.26 -5.10 121.76 118.88 2dlg s ALA 13 Ca -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2dlg s ALA 13 Cb 0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2dlg s ALA 13 CO 0.75 0.37 0.09 0.99 0.00 0.00 0.00 175.76 177.96 2dlg s THR 14 N -0.20 4.95 0.41 0.00 2.01 -1.26 -3.21 115.64 118.34 2dlg s THR 14 Ca 0.07 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 2dlg s THR 14 Cb -0.12 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.10 2dlg s THR 14 CO 0.02 0.49 1.43 0.54 -0.69 0.00 0.00 174.62 176.40 2dlg s VAL 15 N -1.08 2.18 0.00 3.82 0.11 -1.23 -2.91 120.40 121.28 2dlg s VAL 15 Ca 0.19 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2dlg s VAL 15 Cb -0.12 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2dlg s VAL 15 CO 0.09 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2dlg n GLY 16 N 0.56 1.07 3.72 6.54 0.00 -1.23 -4.65 105.19 111.19 2dlg n GLY 16 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2dlg n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dlg n SER 17 N 2.14 3.10 -4.65 1.61 3.41 -1.15 -4.76 113.62 113.32 2dlg n SER 17 Ca 0.00 1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 59.38 2dlg n SER 17 Cb 0.00 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.40 2dlg n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dlg s ILE 18 N -0.83 3.20 -0.11 -1.33 -1.09 -1.26 -4.42 121.20 115.37 2dlg s ILE 18 Ca 0.58 0.24 -0.13 0.00 -2.23 0.00 0.00 60.65 59.11 2dlg s ILE 18 Cb -0.55 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2dlg s ILE 18 CO 0.59 -0.03 0.30 0.00 -1.23 0.00 0.00 174.94 174.57 2dlg s ASP 20 N -0.26 2.79 -0.28 0.00 1.47 -1.25 -2.07 116.67 117.07 2dlg s ASP 20 Ca 0.18 -0.43 -0.08 0.00 1.18 0.00 0.00 52.55 53.40 2dlg s ASP 20 Cb -0.14 -0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.06 2dlg s ASP 20 CO 0.07 0.28 0.10 -0.22 0.68 0.00 0.00 175.17 176.08 2dlg s LEU 21 N -0.50 3.73 -0.71 2.11 2.96 -1.03 -4.91 118.68 120.33 2dlg s LEU 21 Ca 0.08 -0.43 -0.27 0.00 -0.22 0.00 0.00 54.13 53.29 2dlg s LEU 21 Cb -0.10 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2dlg s LEU 21 CO -0.00 -0.12 1.40 0.20 -1.32 0.00 0.00 176.35 176.50 2dlg s ASN 22 N 1.58 5.99 0.08 3.68 0.02 -1.26 -3.47 114.94 121.57 2dlg s ASN 22 Ca 0.05 -0.26 0.04 0.00 -1.02 0.00 0.00 52.86 51.66 2dlg s ASN 22 Cb -0.16 -2.55 -0.03 0.00 0.02 0.00 0.00 41.25 38.52 2dlg s ASN 22 CO 0.04 -1.94 -0.11 -0.76 0.02 0.00 0.00 177.10 174.36 2dlg s LEU 23 N 6.40 2.36 -0.25 0.60 1.43 -1.01 -5.05 118.68 123.15 2dlg s LEU 23 Ca 0.42 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2dlg s LEU 23 Cb -0.09 -0.34 0.12 0.00 0.03 0.00 0.00 46.19 45.91 2dlg s LEU 23 CO 0.17 -0.21 0.51 -1.59 0.23 0.00 0.00 176.35 175.45 2dlg s LYS 24 N -2.40 0.44 -0.25 1.70 -2.85 -1.26 -0.09 119.74 115.03 2dlg s LYS 24 Ca 0.02 1.08 -0.02 0.00 -1.00 0.00 0.00 55.97 56.05 2dlg s LYS 24 Cb -0.05 0.40 0.12 0.00 -2.06 0.00 0.00 37.83 36.24 2dlg s LYS 24 CO 0.01 -0.35 0.28 0.42 0.10 0.00 0.00 175.35 175.80 2dlg s ILE 25 N 2.72 -0.40 -0.02 3.79 1.09 -0.70 -4.98 121.20 122.71 2dlg s ILE 25 Ca 0.03 -0.31 -0.25 0.00 -1.10 0.00 0.00 60.65 59.02 2dlg s ILE 25 Cb -0.13 -0.85 -0.20 0.00 -1.06 0.00 0.00 42.46 40.22 2dlg s ILE 25 CO -0.16 -0.33 1.23 1.55 -0.10 0.00 0.00 174.94 177.13 2dlg h PRO 26 N 8.27 -0.05 -1.40 2.79 0.13 -1.95 -3.17 132.00 136.62 2dlg h PRO 26 Ca -0.16 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.44 2dlg h PRO 26 Cb 1.11 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 2dlg h PRO 26 CO 0.31 0.41 0.92 1.49 -0.23 0.00 0.00 178.00 180.90 2dlg h GLU 27 N -0.54 0.05 -6.18 0.86 4.57 -1.96 -3.38 114.58 108.00 2dlg h GLU 27 Ca -0.01 -0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.57 2dlg h GLU 27 Cb 0.49 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 2dlg h GLU 27 CO 0.01 0.03 -0.57 0.42 -1.18 0.00 0.00 179.01 177.72 2dlg s ILE 28 N -5.24 4.56 -0.15 2.32 1.01 -1.20 -5.10 121.20 117.40 2dlg s ILE 28 Ca -0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 2dlg s ILE 28 Cb 0.30 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2dlg s ILE 28 CO 0.83 -0.01 0.44 0.21 0.00 0.00 0.00 174.94 176.40 2dlg s ASN 29 N -2.83 6.58 0.32 3.58 2.47 -1.26 -4.84 114.94 118.97 2dlg s ASN 29 Ca 0.31 0.69 0.08 0.00 0.42 0.00 0.00 52.86 54.36 2dlg s ASN 29 Cb -0.11 -2.26 0.94 0.00 -1.45 0.00 0.00 41.25 38.37 2dlg s ASN 29 CO 0.23 -0.02 1.60 -1.28 -3.72 0.00 0.00 177.10 173.91 2dlg h SER 30 N 6.93 -0.05 -0.21 -4.21 0.87 -1.90 0.57 113.55 115.55 2dlg h SER 30 Ca -0.39 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2dlg h SER 30 Cb 1.17 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2dlg h SER 30 CO 0.75 -0.31 -0.30 0.28 -0.53 0.00 0.00 176.83 176.71 2dlg h SER 31 N 0.08 0.63 -0.09 6.23 0.02 -1.93 -3.05 113.55 115.45 2dlg h SER 31 Ca 0.67 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2dlg h SER 31 Cb 1.53 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2dlg h SER 31 CO -0.79 1.02 0.05 0.44 -1.14 0.00 0.00 176.83 176.42 2dlg h ASP 32 N 0.26 0.13 -2.91 3.07 3.32 -0.43 -3.43 116.42 116.43 2dlg h ASP 32 Ca 0.02 -0.01 -0.40 0.00 0.02 0.00 0.00 57.03 56.67 2dlg h ASP 32 Cb 0.88 -0.03 0.22 0.00 0.22 0.00 0.00 39.33 40.62 2dlg h ASP 32 CO 0.07 0.11 -0.19 0.23 -1.72 0.00 0.00 179.24 177.74 2dlg n MET 33 N -4.50 -3.47 -3.37 3.56 2.81 0.64 -4.84 117.12 107.95 2dlg n MET 33 Ca -0.01 -1.01 0.01 0.00 -1.81 0.00 0.00 57.70 54.88 2dlg n MET 33 Cb 0.10 -1.99 -0.03 0.00 -0.71 0.00 0.00 33.22 30.60 2dlg n MET 33 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2dlg s SER 34 N -2.59 -1.19 0.17 7.83 1.04 -1.23 -5.03 113.70 112.69 2dlg s SER 34 Ca 0.65 1.12 0.07 0.00 0.48 0.00 0.00 55.95 58.28 2dlg s SER 34 Cb -0.18 2.15 -0.04 0.00 0.10 0.00 0.00 66.02 68.05 2dlg s SER 34 CO 0.60 -0.25 -0.02 0.00 0.98 0.00 0.00 173.24 174.56 2dlg s ALA 35 N 2.85 3.16 -0.18 5.32 0.00 -1.26 -2.59 121.76 129.06 2dlg s ALA 35 Ca 0.10 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 2dlg s ALA 35 Cb -0.14 -0.96 0.08 0.00 0.00 0.00 0.00 23.12 22.09 2dlg s ALA 35 CO -0.20 0.50 0.40 -1.01 0.00 0.00 0.00 175.76 175.46 2dlg s HIS 36 N -1.67 -0.69 -0.66 0.00 3.76 -0.96 -2.57 115.29 112.51 2dlg s HIS 36 Ca 0.27 1.38 -0.22 0.00 -0.15 0.00 0.00 55.06 56.34 2dlg s HIS 36 Cb -0.09 0.26 0.08 0.00 1.11 0.00 0.00 32.58 33.93 2dlg s HIS 36 CO 0.18 -0.41 0.94 0.08 -0.85 0.00 0.00 174.74 174.67 2dlg s VAL 37 N 2.08 4.39 0.28 -0.90 1.01 -0.36 -1.66 120.40 125.23 2dlg s VAL 37 Ca -0.05 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 2dlg s VAL 37 Cb -0.10 -4.67 -0.09 0.00 0.00 0.00 0.00 36.38 31.52 2dlg s VAL 37 CO -0.12 -1.42 0.80 -0.89 0.00 0.00 0.00 175.10 173.46 2dlg s THR 38 N 3.89 4.47 0.18 3.92 2.01 -0.23 -1.79 115.64 128.09 2dlg s THR 38 Ca 0.21 1.40 0.05 0.00 0.31 0.00 0.00 61.69 63.66 2dlg s THR 38 Cb -0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2dlg s THR 38 CO 0.09 0.10 0.16 -0.44 -0.69 0.00 0.00 174.62 173.84 2dlg s SER 39 N -1.77 5.59 0.00 3.53 0.01 0.57 -1.84 113.70 119.79 2dlg s SER 39 Ca 0.48 -0.12 0.15 0.00 1.31 0.00 0.00 55.95 57.76 2dlg s SER 39 Cb -0.16 -1.47 0.69 0.00 0.21 0.00 0.00 66.02 65.29 2dlg s SER 39 CO 0.21 0.05 1.43 -0.81 0.41 0.00 0.00 173.24 174.53 2dlg n PRO 40 N -0.49 0.12 0.01 12.44 -0.04 -1.17 -2.14 135.00 143.72 2dlg n PRO 40 Ca -0.08 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2dlg n PRO 40 Cb 0.55 -1.50 -0.13 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 -1.38 0.22 0.00 3.54 3.41 -1.26 -4.97 113.62 113.18 2dlg n SER 41 Ca 0.05 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2dlg n SER 41 Cb 0.14 1.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 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 1.27 1.94 3.21 5.00 0.00 -0.91 -5.13 105.19 110.57 2dlg n GLY 42 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 3.11 -0.02 1.61 3.52 -1.25 -4.90 118.95 120.97 2dlg s ARG 43 Ca 0.00 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 2dlg s ARG 43 Cb 0.00 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2dlg s ARG 43 CO 0.00 -0.04 -0.16 0.54 -0.81 0.00 0.00 175.30 174.83 2dlg s VAL 44 N 0.92 1.29 0.47 7.11 0.11 -1.26 0.21 120.40 129.26 2dlg s VAL 44 Ca -0.04 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 2dlg s VAL 44 Cb -0.15 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2dlg s VAL 44 CO -0.03 0.37 0.05 0.42 -3.33 0.00 0.00 175.10 172.58 2dlg s THR 45 N -0.22 0.95 -0.18 5.04 -4.23 -0.74 -4.93 115.64 111.33 2dlg s THR 45 Ca 0.03 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 2dlg s THR 45 Cb -0.08 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 2dlg s THR 45 CO 0.00 0.00 0.23 -0.70 -0.54 0.00 0.00 174.62 173.62 2dlg s GLU 46 N -3.81 4.22 0.32 3.99 2.12 -1.26 -1.22 118.70 123.07 2dlg s GLU 46 Ca 0.13 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.45 2dlg s GLU 46 Cb 0.02 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2dlg s GLU 46 CO 0.08 0.24 0.51 0.00 -0.54 0.00 0.00 175.26 175.54 2dlg s ALA 47 N 0.50 3.76 -0.04 6.30 0.00 -1.06 -4.88 121.76 126.34 2dlg s ALA 47 Ca 0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2dlg s ALA 47 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2dlg s ALA 47 CO 0.02 0.03 0.08 -2.00 0.00 0.00 0.00 175.76 173.89 2dlg s GLU 48 N -4.24 3.14 -0.76 0.00 2.12 -1.26 -4.62 118.70 113.08 2dlg s GLU 48 Ca 0.39 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2dlg s GLU 48 Cb -0.09 -2.92 0.19 0.00 0.26 0.00 0.00 34.13 31.56 2dlg s GLU 48 CO 0.34 0.68 0.59 0.42 -0.54 0.00 0.00 175.26 176.75 2dlg s ILE 49 N -1.12 3.69 0.35 -3.70 1.01 -1.26 -2.75 121.20 117.43 2dlg s ILE 49 Ca 0.20 -3.74 -0.28 0.00 0.00 0.00 0.00 60.65 56.83 2dlg s ILE 49 Cb -0.12 -3.36 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 2dlg s ILE 49 CO 0.10 -1.00 1.49 0.52 0.00 0.00 0.00 174.94 176.06 2dlg n VAL 50 N 2.55 1.78 -2.05 2.92 0.31 -0.97 -4.76 118.33 118.11 2dlg n VAL 50 Ca 0.17 -0.44 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 2dlg n VAL 50 Cb 0.36 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 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 -1.72 2.55 0.11 5.55 0.04 -1.26 -3.60 135.00 136.66 2dlg s PRO 51 Ca 0.56 -0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.10 2dlg s PRO 51 Cb -0.49 -5.08 -0.08 0.00 0.04 0.00 0.00 34.50 28.89 2dlg s PRO 51 CO 0.60 -3.43 1.42 0.52 0.04 0.00 0.00 177.00 176.15 2dlg h MET 52 N 11.16 0.75 0.00 4.56 2.86 -1.89 -3.49 114.93 128.88 2dlg h MET 52 Ca 0.11 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2dlg h MET 52 Cb 1.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2dlg h MET 52 CO 1.21 1.03 0.00 0.41 1.06 0.00 0.00 176.91 180.62 2dlg n GLY 53 N 0.19 2.98 0.01 8.32 0.00 -1.26 -5.00 105.19 110.44 2dlg n GLY 53 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2dlg n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dlg h LYS 54 N 0.00 0.00 -0.69 1.61 1.57 -2.02 -3.40 116.57 113.64 2dlg h LYS 54 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2dlg h LYS 54 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 2dlg h LYS 54 CO 0.00 0.00 -0.29 0.27 -0.57 0.00 0.00 179.45 178.86 2dlg n ASN 55 N -2.83 4.85 -4.70 0.86 0.23 -1.26 -4.91 115.26 107.50 2dlg n ASN 55 Ca -0.00 -3.78 -0.27 0.00 -0.53 0.00 0.00 54.58 50.00 2dlg n ASN 55 Cb 0.00 -0.55 -0.07 0.00 -2.08 0.00 0.00 39.78 37.08 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2dlg s SER 56 N -2.98 4.99 -0.01 0.53 0.01 -1.26 -1.72 113.70 113.26 2dlg s SER 56 Ca 0.52 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.49 2dlg s SER 56 Cb 0.43 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 65.52 2dlg s SER 56 CO 0.01 0.10 -0.01 -1.00 0.41 0.00 0.00 173.24 172.75 2dlg s HIS 57 N -1.67 0.20 -0.21 2.43 3.76 0.87 -4.29 115.29 116.39 2dlg s HIS 57 Ca 0.28 -0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 55.16 2dlg s HIS 57 Cb -0.10 -0.20 0.06 0.00 1.11 0.00 0.00 32.58 33.45 2dlg s HIS 57 CO 0.20 -0.04 0.01 0.00 -0.85 0.00 0.00 174.74 174.05 2dlg s VAL 59 N 1.70 4.64 -0.25 0.00 1.01 -1.23 -2.29 120.40 123.99 2dlg s VAL 59 Ca -0.02 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 2dlg s VAL 59 Cb -0.18 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2dlg s VAL 59 CO -0.08 -0.88 0.26 -0.60 0.00 0.00 0.00 175.10 173.81 2dlg s ARG 60 N 3.27 4.06 0.19 2.72 3.52 -1.11 -2.45 118.95 129.15 2dlg s ARG 60 Ca 0.25 -0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.55 2dlg s ARG 60 Cb -0.15 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2dlg s ARG 60 CO 0.18 -0.08 0.52 -0.59 -0.81 0.00 0.00 175.30 174.51 2dlg s PHE 61 N 1.47 -0.13 -0.29 5.12 -0.12 -0.88 -4.11 117.98 119.05 2dlg s PHE 61 Ca 0.11 -0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 56.74 2dlg s PHE 61 Cb -0.15 0.39 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2dlg s PHE 61 CO 0.08 -0.91 0.03 0.08 -0.05 0.00 0.00 175.22 174.45 2dlg s VAL 62 N -3.87 3.45 1.05 -2.49 1.01 -1.26 -0.85 120.40 117.44 2dlg s VAL 62 Ca 0.09 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2dlg s VAL 62 Cb -0.01 -2.83 0.22 0.00 0.00 0.00 0.00 36.38 33.76 2dlg s VAL 62 CO -0.03 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.05 2dlg s PRO 63 N 1.39 -0.01 0.46 2.72 0.04 -1.26 -4.92 135.00 133.42 2dlg s PRO 63 Ca -0.00 0.37 0.08 0.00 0.04 0.00 0.00 61.00 61.49 2dlg s PRO 63 Cb -0.18 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2dlg s PRO 63 CO -0.00 -2.99 0.53 -0.65 0.04 0.00 0.00 177.00 173.93 2dlg s GLN 64 N -5.05 2.57 -0.22 4.56 -1.52 -1.26 -3.54 119.66 115.18 2dlg s GLN 64 Ca 0.67 -1.50 -0.27 0.00 -1.95 0.00 0.00 55.36 52.30 2dlg s GLN 64 Cb -0.17 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 2dlg s GLN 64 CO 0.57 -0.40 0.95 -1.83 -0.25 0.00 0.00 175.29 174.33 2dlg s GLU 65 N -4.33 4.24 -1.36 2.91 4.04 -1.26 -3.89 118.70 119.04 2dlg s GLU 65 Ca 0.52 1.18 -0.02 0.00 0.04 0.00 0.00 54.97 56.69 2dlg s GLU 65 Cb -0.06 -3.63 0.01 0.00 0.02 0.00 0.00 34.13 30.47 2dlg s GLU 65 CO 0.31 -0.55 0.67 -1.33 -1.84 0.00 0.00 175.26 172.53 2dlg n MET 66 N 6.05 -4.61 -4.07 -4.83 2.81 -1.22 -4.98 117.12 106.27 2dlg n MET 66 Ca 0.09 0.57 -0.19 0.00 -1.81 0.00 0.00 57.70 56.36 2dlg n MET 66 Cb 0.47 -5.08 -0.16 0.00 -0.71 0.00 0.00 33.22 27.74 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 -4.22 0.36 -0.38 3.03 0.00 -1.25 -4.99 107.32 99.87 2dlg s GLY 67 Ca 0.10 0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 2dlg s GLY 67 CO 0.83 0.51 0.72 0.14 0.00 0.00 0.00 173.10 175.30 2dlg s VAL 68 N 0.96 4.78 0.43 1.40 1.01 -1.26 -3.43 120.40 124.28 2dlg s VAL 68 Ca -0.11 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.60 2dlg s VAL 68 Cb -0.14 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2dlg s VAL 68 CO -0.01 -0.45 0.40 -1.00 0.00 0.00 0.00 175.10 174.04 2dlg s HIS 69 N 2.98 2.62 -0.01 5.22 3.76 -1.02 -3.06 115.29 125.77 2dlg s HIS 69 Ca 0.28 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2dlg s HIS 69 Cb -0.13 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.41 2dlg s HIS 69 CO 0.17 -0.18 0.02 0.99 -0.85 0.00 0.00 174.74 174.89 2dlg s THR 70 N -2.49 -0.02 -0.44 1.30 2.01 -0.77 -2.33 115.64 112.90 2dlg s THR 70 Ca 0.48 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.42 2dlg s THR 70 Cb -0.03 -0.07 0.03 0.00 0.01 0.00 0.00 72.50 72.44 2dlg s THR 70 CO 0.28 0.06 0.51 -0.69 -0.69 0.00 0.00 174.62 174.08 2dlg s VAL 71 N 0.64 5.01 -0.49 3.82 1.01 0.56 -1.07 120.40 129.87 2dlg s VAL 71 Ca -0.05 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2dlg s VAL 71 Cb -0.08 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.25 2dlg s VAL 71 CO -0.02 -0.53 0.53 -0.44 0.00 0.00 0.00 175.10 174.65 2dlg s SER 72 N 2.01 6.19 -0.45 3.32 0.01 -0.67 -1.18 113.70 122.94 2dlg s SER 72 Ca 0.14 -1.09 -0.04 0.00 1.31 0.00 0.00 55.95 56.28 2dlg s SER 72 Cb -0.17 -2.25 0.12 0.00 0.21 0.00 0.00 66.02 63.93 2dlg s SER 72 CO 0.14 -0.79 0.26 -0.69 0.41 0.00 0.00 173.24 172.57 2dlg s VAL 73 N 2.22 3.45 0.12 3.43 1.01 -1.26 -2.26 120.40 127.11 2dlg s VAL 73 Ca 0.10 -2.18 0.03 0.00 0.00 0.00 0.00 61.98 59.93 2dlg s VAL 73 Cb -0.21 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2dlg s VAL 73 CO 0.10 -0.73 0.20 -0.54 0.00 0.00 0.00 175.10 174.13 2dlg s LYS 74 N 0.97 3.24 -0.31 2.72 1.02 -1.07 -1.99 119.74 124.32 2dlg s LYS 74 Ca 0.09 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 2dlg s LYS 74 Cb -0.23 -2.88 0.10 0.00 -0.52 0.00 0.00 37.83 34.31 2dlg s LYS 74 CO -0.04 0.54 0.11 -0.47 -0.92 0.00 0.00 175.35 174.57 2dlg s TYR 75 N -1.64 1.47 -1.38 3.18 5.04 0.11 -3.55 117.35 120.59 2dlg s TYR 75 Ca 0.33 -1.62 -0.05 0.00 -2.44 0.00 0.00 57.07 53.30 2dlg s TYR 75 Cb -0.11 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.62 2dlg s TYR 75 CO 0.26 -0.87 0.61 0.54 -1.34 0.00 0.00 175.55 174.76 2dlg n ARG 76 N 4.86 -4.76 -1.88 4.97 1.74 -1.26 -2.55 116.66 117.79 2dlg n ARG 76 Ca -0.02 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2dlg n ARG 76 Cb 0.42 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 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 -1.50 0.70 3.20 -0.13 0.00 -1.26 -5.06 105.19 101.14 2dlg n GLY 77 Ca -0.09 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 2dlg n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlg s GLN 78 N -3.84 0.37 0.30 1.61 -0.21 -1.06 -5.14 119.66 111.69 2dlg s GLN 78 Ca 0.00 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 56.03 2dlg s GLN 78 Cb 0.00 0.19 -0.11 0.00 1.00 0.00 0.00 33.01 34.09 2dlg s GLN 78 CO 0.00 -0.37 1.60 0.72 -2.12 0.00 0.00 175.29 175.13 2dlg n HIS 79 N 5.39 2.91 -1.38 0.91 8.25 -1.26 0.07 115.22 130.11 2dlg n HIS 79 Ca -0.07 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.35 2dlg n HIS 79 Cb 0.50 -2.60 0.18 0.00 1.12 0.00 0.00 29.99 29.19 2dlg n HIS 79 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dlg s VAL 80 N -0.07 1.88 -0.02 1.59 -7.23 -0.84 -4.87 120.40 110.85 2dlg s VAL 80 Ca 0.63 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.50 2dlg s VAL 80 Cb -0.48 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.74 2dlg s VAL 80 CO 0.49 0.00 1.75 -0.89 -0.31 0.00 0.00 175.10 176.15 2dlg s THR 81 N -3.21 3.37 0.00 5.32 2.01 -1.26 -2.87 115.64 118.99 2dlg s THR 81 Ca 0.68 0.47 0.00 0.00 0.31 0.00 0.00 61.69 63.15 2dlg s THR 81 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2dlg s THR 81 CO 0.55 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 2dlg n GLY 82 N 4.25 2.98 3.75 4.40 0.00 -1.26 -5.04 105.19 114.27 2dlg n GLY 82 Ca 0.18 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2dlg n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 83 N 0.00 4.97 0.46 1.61 0.15 -1.14 -4.26 113.70 115.50 2dlg s SER 83 Ca 0.00 2.23 -0.23 0.00 0.70 0.00 0.00 55.95 58.65 2dlg s SER 83 Cb 0.00 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 2dlg s SER 83 CO 0.00 -1.73 1.17 -2.16 1.20 0.00 0.00 173.24 171.71 2dlg s PRO 84 N -3.72 3.77 -0.31 5.44 0.04 -1.26 -4.58 135.00 134.37 2dlg s PRO 84 Ca 0.73 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 2dlg s PRO 84 Cb -0.26 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 2dlg s PRO 84 CO 0.38 -0.54 0.17 -0.06 0.04 0.00 0.00 177.00 176.99 2dlg s PHE 85 N -1.54 3.19 -0.06 0.56 0.08 -0.32 -4.90 117.98 114.99 2dlg s PHE 85 Ca 0.63 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 57.12 2dlg s PHE 85 Cb -0.29 -2.38 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 2dlg s PHE 85 CO 0.35 -0.40 0.37 -1.14 -0.10 0.00 0.00 175.22 174.29 2dlg s GLN 86 N 1.65 3.99 -0.09 0.44 0.74 -1.26 -0.32 119.66 124.81 2dlg s GLN 86 Ca 0.05 0.29 -0.08 0.00 0.05 0.00 0.00 55.36 55.67 2dlg s GLN 86 Cb -0.17 -3.29 0.03 0.00 1.10 0.00 0.00 33.01 30.68 2dlg s GLN 86 CO 0.07 0.54 0.25 -0.59 -0.55 0.00 0.00 175.29 175.01 2dlg s PHE 87 N -0.52 -0.28 -0.02 1.67 -0.12 -0.98 -5.02 117.98 112.70 2dlg s PHE 87 Ca 0.22 0.68 -0.02 0.00 -0.05 0.00 0.00 56.93 57.75 2dlg s PHE 87 Cb -0.15 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2dlg s PHE 87 CO 0.10 -0.14 0.11 0.99 -0.05 0.00 0.00 175.22 176.22 2dlg s THR 88 N 0.25 4.95 -0.11 -4.49 2.01 -1.26 -2.43 115.64 114.55 2dlg s THR 88 Ca -0.01 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2dlg s THR 88 Cb -0.03 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2dlg s THR 88 CO -0.01 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 2dlg s VAL 89 N -1.18 3.34 0.00 3.82 1.01 -1.22 -3.99 120.40 122.17 2dlg s VAL 89 Ca 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2dlg s VAL 89 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2dlg s VAL 89 CO 0.13 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2dlg n GLY 90 N 3.05 4.21 3.75 4.51 0.00 -1.20 -3.37 105.19 116.14 2dlg n GLY 90 Ca -0.18 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 2.38 4.42 0.36 1.61 0.04 -1.26 -3.54 135.00 139.00 2dlg s PRO 91 Ca 0.00 2.05 0.24 0.00 0.04 0.00 0.00 61.00 63.33 2dlg s PRO 91 Cb 0.00 -3.16 1.24 0.00 0.04 0.00 0.00 34.50 32.61 2dlg s PRO 91 CO 0.00 -0.16 1.35 1.47 0.04 0.00 0.00 177.00 179.70 2dlg n LEU 92 N 1.95 0.23 0.00 -3.56 -0.00 -1.26 -4.67 117.00 109.69 2dlg n LEU 92 Ca 0.03 1.28 0.00 0.00 -0.00 0.00 0.00 56.01 57.33 2dlg n LEU 92 Cb 0.43 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2dlg n LEU 92 CO 0.58 -1.41 0.00 0.61 -0.00 0.00 0.00 177.39 177.16 2dlg n GLY 93 N -1.36 1.32 0.24 1.47 0.00 -1.26 -4.81 105.19 100.79 2dlg n GLY 93 Ca 0.34 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2dlg n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dlg h GLU 94 N 0.00 -0.51 -7.54 1.61 4.81 -2.04 -3.46 114.58 107.46 2dlg h GLU 94 Ca 0.00 0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.81 2dlg h GLU 94 Cb 0.00 0.11 0.13 0.00 0.63 0.00 0.00 28.75 29.62 2dlg h GLU 94 CO 0.00 -0.31 0.31 0.20 -0.73 0.00 0.00 179.01 178.48 2dlg s GLY 95 N -2.95 1.75 0.00 1.92 0.00 -1.26 -5.05 107.32 101.73 2dlg s GLY 95 Ca -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2dlg s GLY 95 CO 0.26 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.34 2dlg n GLY 96 N -3.36 0.59 3.06 0.20 0.00 -1.26 -5.03 105.19 99.39 2dlg n GLY 96 Ca 0.14 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 2dlg n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dlg n SER 97 N 0.00 -4.90 0.00 1.61 2.88 -1.26 -4.92 113.62 107.03 2dlg n SER 97 Ca 0.00 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2dlg n SER 97 Cb 0.00 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 2dlg n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlg n GLY 98 N -1.58 -0.00 3.77 0.46 0.00 -1.26 -5.12 105.19 101.46 2dlg n GLY 98 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 3.04 -0.01 1.61 0.04 -1.26 -5.07 135.00 133.31 2dlg s PRO 99 Ca 0.00 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 2dlg s PRO 99 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2dlg s PRO 99 CO 0.00 -1.08 0.17 -1.12 0.04 0.00 0.00 177.00 175.01 2dlg s SER 100 N -2.24 -0.04 -0.13 6.66 0.01 -1.26 -5.03 113.70 111.68 2dlg s SER 100 Ca 0.69 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.95 2dlg s SER 100 Cb -0.22 0.25 0.48 0.00 0.21 0.00 0.00 66.02 66.74 2dlg s SER 100 CO 0.35 -0.35 1.24 -1.54 0.41 0.00 0.00 173.24 173.36 2dlg n SER 101 N 1.61 3.70 0.00 2.44 3.41 -1.26 -5.30 113.62 118.22 2dlg n SER 101 Ca -0.21 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 2dlg n SER 101 Cb 0.56 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2dlg n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49