#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 -0.19 -0.03 1.61 0.01 -1.26 -5.07 113.70 108.78 2dlg s SER 2 Ca 0.00 0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 2dlg s SER 2 Cb 0.00 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 2dlg s SER 2 CO 0.00 -0.08 -0.11 -1.20 0.41 0.00 0.00 173.24 172.26 2dlg n SER 3 N 2.90 1.04 0.00 2.44 7.64 -1.26 -5.13 113.62 121.25 2dlg n SER 3 Ca -0.13 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dlg n SER 3 Cb 0.59 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2dlg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlg n GLY 4 N 2.71 1.84 3.78 0.23 0.00 -1.26 -5.14 105.19 107.36 2dlg n GLY 4 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 5.53 0.03 1.61 1.04 -1.26 -5.13 113.70 115.53 2dlg s SER 5 Ca 0.00 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2dlg s SER 5 Cb 0.00 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 2dlg s SER 5 CO 0.00 0.14 -0.05 -0.44 0.98 0.00 0.00 173.24 173.87 2dlg s SER 6 N -2.64 0.47 0.00 7.02 0.01 -1.26 -5.13 113.70 112.17 2dlg s SER 6 Ca 0.30 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2dlg s SER 6 Cb -0.11 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2dlg s SER 6 CO 0.23 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2dlg n GLY 7 N 1.52 3.68 2.44 3.44 0.00 -1.26 -5.00 105.19 110.01 2dlg n GLY 7 Ca -0.23 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2dlg n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dlg n ARG 8 N -1.02 0.00 -1.36 1.61 3.00 -1.26 -4.79 116.66 112.84 2dlg n ARG 8 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 2dlg n ARG 8 Cb 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 32.46 31.47 2dlg n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dlg n ALA 9 N 6.80 -0.64 -2.06 5.13 0.00 -1.26 -4.85 120.51 123.63 2dlg n ALA 9 Ca 0.45 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 2dlg n ALA 9 Cb 0.01 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 2dlg n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dlg s PRO 10 N -3.04 2.95 -0.57 0.00 0.04 -1.26 -4.92 135.00 128.19 2dlg s PRO 10 Ca 0.71 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 2dlg s PRO 10 Cb -0.36 -4.29 -0.06 0.00 0.04 0.00 0.00 34.50 29.84 2dlg s PRO 10 CO 0.52 -2.34 2.19 -1.54 0.04 0.00 0.00 177.00 175.88 2dlg s SER 11 N 7.04 4.72 -0.02 6.66 1.04 -1.26 -4.71 113.70 127.17 2dlg s SER 11 Ca 0.71 0.66 0.17 0.00 0.48 0.00 0.00 55.95 57.97 2dlg s SER 11 Cb -0.16 -2.52 -0.24 0.00 0.10 0.00 0.00 66.02 63.20 2dlg s SER 11 CO 0.26 -2.77 0.48 1.33 0.98 0.00 0.00 173.24 173.52 2dlg n VAL 12 N 7.77 0.00 -4.22 5.02 0.24 -1.26 -5.01 118.33 120.87 2dlg n VAL 12 Ca 0.32 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 2dlg n VAL 12 Cb 0.53 0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 33.17 2dlg n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dlg s ALA 13 N -3.02 1.25 0.05 2.33 0.00 -1.26 -4.97 121.76 116.14 2dlg s ALA 13 Ca -0.03 -1.54 0.09 0.00 0.00 0.00 0.00 51.96 50.48 2dlg s ALA 13 Cb 0.12 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2dlg s ALA 13 CO 0.71 -0.31 -0.24 0.99 0.00 0.00 0.00 175.76 176.90 2dlg s THR 14 N -3.68 1.94 0.15 0.00 2.01 -1.26 -3.14 115.64 111.66 2dlg s THR 14 Ca 0.22 -1.32 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 2dlg s THR 14 Cb 0.06 -1.67 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 2dlg s THR 14 CO 0.02 0.29 1.11 0.54 -0.69 0.00 0.00 174.62 175.89 2dlg s VAL 15 N -0.81 3.96 0.00 3.82 0.11 -1.23 -3.65 120.40 122.60 2dlg s VAL 15 Ca 0.10 1.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 2dlg s VAL 15 Cb -0.09 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2dlg s VAL 15 CO 0.02 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2dlg n GLY 16 N 2.31 1.23 3.79 6.54 0.00 -1.25 -4.54 105.19 113.27 2dlg n GLY 16 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 6.33 0.36 1.61 0.01 -1.24 -4.80 113.70 115.97 2dlg s SER 17 Ca 0.00 2.02 -0.28 0.00 1.31 0.00 0.00 55.95 58.99 2dlg s SER 17 Cb 0.00 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 2dlg s SER 17 CO 0.00 -0.79 1.47 -0.63 0.41 0.00 0.00 173.24 173.70 2dlg s ILE 18 N -1.84 2.18 -0.19 1.44 -1.09 -1.26 -4.45 121.20 115.99 2dlg s ILE 18 Ca 0.66 0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 59.21 2dlg s ILE 18 Cb -0.20 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2dlg s ILE 18 CO 0.24 0.04 0.00 0.00 -1.23 0.00 0.00 174.94 173.99 2dlg s ASP 20 N 0.79 5.88 -0.18 0.00 -4.77 -1.25 -3.15 116.67 113.99 2dlg s ASP 20 Ca 0.00 0.18 -0.05 0.00 -3.30 0.00 0.00 52.55 49.39 2dlg s ASP 20 Cb -0.14 -1.99 -0.03 0.00 -1.09 0.00 0.00 42.92 39.68 2dlg s ASP 20 CO 0.02 0.22 -0.01 -0.22 0.70 0.00 0.00 175.17 175.88 2dlg s LEU 21 N 0.12 3.26 -0.69 2.11 2.96 -1.04 -4.89 118.68 120.51 2dlg s LEU 21 Ca 0.07 -0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 53.56 2dlg s LEU 21 Cb -0.12 -1.81 0.05 0.00 0.50 0.00 0.00 46.19 44.81 2dlg s LEU 21 CO -0.00 0.10 1.11 0.20 -1.32 0.00 0.00 176.35 176.45 2dlg s ASN 22 N 0.77 6.18 -0.04 3.68 0.02 -1.26 -3.36 114.94 120.93 2dlg s ASN 22 Ca -0.00 -0.68 0.04 0.00 -1.02 0.00 0.00 52.86 51.19 2dlg s ASN 22 Cb -0.14 -2.49 -0.00 0.00 0.02 0.00 0.00 41.25 38.64 2dlg s ASN 22 CO 0.02 -1.61 -0.15 -0.76 0.02 0.00 0.00 177.10 174.62 2dlg s LEU 23 N 4.85 1.89 -0.12 0.60 1.43 -0.92 -5.06 118.68 121.36 2dlg s LEU 23 Ca 0.29 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2dlg s LEU 23 Cb -0.12 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.31 2dlg s LEU 23 CO 0.13 0.14 0.21 -1.59 0.23 0.00 0.00 176.35 175.46 2dlg s LYS 24 N 0.03 0.09 -0.26 1.70 -2.85 -1.26 -0.06 119.74 117.13 2dlg s LYS 24 Ca -0.02 0.59 -0.01 0.00 -1.00 0.00 0.00 55.97 55.53 2dlg s LYS 24 Cb -0.10 -0.30 0.14 0.00 -2.06 0.00 0.00 37.83 35.51 2dlg s LYS 24 CO 0.01 -0.34 0.37 0.42 0.10 0.00 0.00 175.35 175.91 2dlg s ILE 25 N 2.35 -0.57 0.30 3.79 1.01 -0.82 -4.99 121.20 122.27 2dlg s ILE 25 Ca 0.03 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.55 2dlg s ILE 25 Cb -0.12 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.48 2dlg s ILE 25 CO -0.08 -0.24 1.70 1.55 0.00 0.00 0.00 174.94 177.88 2dlg h PRO 26 N 8.19 0.11 0.00 2.79 0.13 -1.92 -2.93 132.00 138.37 2dlg h PRO 26 Ca -0.15 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.83 2dlg h PRO 26 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2dlg h PRO 26 CO 0.28 0.56 -0.48 0.93 -0.23 0.00 0.00 178.00 179.06 2dlg h GLU 27 N 0.09 0.00 -5.67 0.86 4.39 -1.97 -3.43 114.58 108.86 2dlg h GLU 27 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 2dlg h GLU 27 Cb 0.88 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.31 2dlg h GLU 27 CO 0.07 0.48 -0.70 0.42 -1.16 0.00 0.00 179.01 178.11 2dlg s ILE 28 N -3.81 3.63 -0.04 3.13 1.01 -1.11 -5.11 121.20 118.91 2dlg s ILE 28 Ca -0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 2dlg s ILE 28 Cb 0.13 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 2dlg s ILE 28 CO 0.73 0.54 0.42 0.20 0.00 0.00 0.00 174.94 176.84 2dlg s ASN 29 N -0.14 6.76 0.39 3.58 -0.87 -1.26 -4.68 114.94 118.73 2dlg s ASN 29 Ca 0.01 0.90 0.16 0.00 -1.57 0.00 0.00 52.86 52.37 2dlg s ASN 29 Cb -0.13 -2.26 1.03 0.00 -0.02 0.00 0.00 41.25 39.87 2dlg s ASN 29 CO 0.03 0.22 1.81 0.77 -2.57 0.00 0.00 177.10 177.36 2dlg h SER 30 N 5.38 0.49 -0.01 -1.22 4.64 -1.93 0.42 113.55 121.32 2dlg h SER 30 Ca -0.48 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 2dlg h SER 30 Cb 1.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2dlg h SER 30 CO 0.66 0.15 -0.07 0.77 -0.87 0.00 0.00 176.83 177.48 2dlg h SER 31 N 0.46 0.19 -0.65 4.97 4.64 -1.96 -1.54 113.55 119.66 2dlg h SER 31 Ca 0.54 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.65 2dlg h SER 31 Cb 1.26 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2dlg h SER 31 CO -0.26 0.29 0.23 0.47 -0.87 0.00 0.00 176.83 176.70 2dlg n ASP 32 N -4.34 4.52 -4.64 4.97 8.00 0.15 -4.93 116.55 120.27 2dlg n ASP 32 Ca -0.01 -3.04 -0.24 0.00 0.71 0.00 0.00 54.79 52.21 2dlg n ASP 32 Cb 0.21 -0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 40.52 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 -2.66 2.19 -0.26 -1.24 -1.94 -0.58 -4.65 119.30 110.16 2dlg s MET 33 Ca 0.48 -1.57 -0.07 0.00 -1.71 0.00 0.00 55.69 52.83 2dlg s MET 33 Cb 0.38 -2.06 0.12 0.00 2.01 0.00 0.00 34.83 35.29 2dlg s MET 33 CO 0.12 0.25 0.53 -1.12 -0.01 0.00 0.00 175.02 174.79 2dlg s SER 34 N -3.70 -0.71 0.15 3.03 0.01 -1.25 -5.03 113.70 106.21 2dlg s SER 34 Ca 0.33 1.12 0.09 0.00 1.31 0.00 0.00 55.95 58.81 2dlg s SER 34 Cb -0.04 1.81 -0.04 0.00 0.21 0.00 0.00 66.02 67.96 2dlg s SER 34 CO 0.20 -0.24 -0.16 0.00 0.41 0.00 0.00 173.24 173.45 2dlg s ALA 35 N 2.75 2.76 -0.13 1.44 0.00 -1.26 -3.08 121.76 124.24 2dlg s ALA 35 Ca 0.01 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 2dlg s ALA 35 Cb -0.13 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.42 2dlg s ALA 35 CO -0.17 0.52 0.30 -1.01 0.00 0.00 0.00 175.76 175.40 2dlg s HIS 36 N -1.46 -0.44 -0.59 0.00 3.76 -1.14 -2.13 115.29 113.29 2dlg s HIS 36 Ca 0.21 0.98 -0.22 0.00 -0.15 0.00 0.00 55.06 55.88 2dlg s HIS 36 Cb -0.09 0.10 0.06 0.00 1.11 0.00 0.00 32.58 33.75 2dlg s HIS 36 CO 0.12 -0.30 0.87 0.08 -0.85 0.00 0.00 174.74 174.66 2dlg s VAL 37 N 1.60 4.49 -0.04 -0.90 1.01 -0.46 -1.97 120.40 124.14 2dlg s VAL 37 Ca -0.07 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2dlg s VAL 37 Cb -0.10 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 2dlg s VAL 37 CO -0.10 -1.20 0.59 -0.89 0.00 0.00 0.00 175.10 173.49 2dlg s THR 38 N 3.63 4.99 0.41 3.92 2.01 -0.43 -1.77 115.64 128.39 2dlg s THR 38 Ca 0.22 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 2dlg s THR 38 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2dlg s THR 38 CO 0.13 0.38 0.67 -0.44 -0.69 0.00 0.00 174.62 174.66 2dlg s SER 39 N 0.11 6.31 0.00 3.53 0.01 0.17 -1.46 113.70 122.36 2dlg s SER 39 Ca 0.31 0.73 0.14 0.00 1.31 0.00 0.00 55.95 58.45 2dlg s SER 39 Cb -0.17 -2.16 0.62 0.00 0.21 0.00 0.00 66.02 64.52 2dlg s SER 39 CO 0.16 -0.42 1.45 -0.81 0.41 0.00 0.00 173.24 174.03 2dlg n PRO 40 N -1.89 0.02 0.03 12.44 -0.04 -1.21 -2.20 135.00 142.15 2dlg n PRO 40 Ca -0.02 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 2dlg n PRO 40 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.48 0.44 0.00 3.54 3.41 -1.26 -4.96 113.62 113.30 2dlg n SER 41 Ca 0.04 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2dlg n SER 41 Cb 0.16 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 1.29 1.73 3.36 5.00 0.00 -0.93 -5.11 105.19 110.53 2dlg n GLY 42 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.03 3.05 -0.06 1.61 3.52 -1.26 -4.88 118.95 120.91 2dlg s ARG 43 Ca 0.00 -0.90 0.04 0.00 -0.13 0.00 0.00 55.73 54.74 2dlg s ARG 43 Cb 0.00 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2dlg s ARG 43 CO 0.00 -0.50 -0.17 0.54 -0.81 0.00 0.00 175.30 174.36 2dlg s VAL 44 N 1.52 2.83 0.37 7.11 0.11 -1.26 0.42 120.40 131.50 2dlg s VAL 44 Ca 0.02 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2dlg s VAL 44 Cb -0.18 -2.10 -0.07 0.00 -1.53 0.00 0.00 36.38 32.50 2dlg s VAL 44 CO 0.04 0.58 0.03 0.42 -3.33 0.00 0.00 175.10 172.84 2dlg s THR 45 N -0.49 1.59 -0.13 5.04 -4.23 -0.73 -4.95 115.64 111.74 2dlg s THR 45 Ca 0.06 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 2dlg s THR 45 Cb -0.12 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2dlg s THR 45 CO 0.01 -0.00 0.50 -0.70 -0.54 0.00 0.00 174.62 173.89 2dlg s GLU 46 N -3.80 4.31 0.25 3.99 2.12 -1.26 -1.36 118.70 122.96 2dlg s GLU 46 Ca 0.36 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 2dlg s GLU 46 Cb 0.09 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2dlg s GLU 46 CO 0.17 0.09 0.45 0.00 -0.54 0.00 0.00 175.26 175.42 2dlg s ALA 47 N 0.85 3.78 -0.14 6.30 0.00 -0.91 -4.90 121.76 126.74 2dlg s ALA 47 Ca 0.26 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 2dlg s ALA 47 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2dlg s ALA 47 CO 0.10 0.28 0.06 -2.00 0.00 0.00 0.00 175.76 174.20 2dlg s GLU 48 N -3.65 3.59 -0.68 0.00 2.12 -1.25 -4.61 118.70 114.22 2dlg s GLU 48 Ca 0.39 -0.32 -0.13 0.00 0.36 0.00 0.00 54.97 55.27 2dlg s GLU 48 Cb -0.10 -3.08 0.18 0.00 0.26 0.00 0.00 34.13 31.38 2dlg s GLU 48 CO 0.31 0.49 0.61 0.42 -0.54 0.00 0.00 175.26 176.55 2dlg s ILE 49 N -0.26 5.18 0.25 -3.70 1.01 -1.26 -2.75 121.20 119.67 2dlg s ILE 49 Ca 0.08 -2.14 -0.30 0.00 0.00 0.00 0.00 60.65 58.29 2dlg s ILE 49 Cb -0.12 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.99 2dlg s ILE 49 CO 0.02 -0.94 1.18 -0.69 0.00 0.00 0.00 174.94 174.50 2dlg s VAL 50 N 0.71 3.39 -0.06 2.92 1.01 -0.02 -4.82 120.40 123.54 2dlg s VAL 50 Ca 0.12 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2dlg s VAL 50 Cb -0.19 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2dlg s VAL 50 CO -0.04 0.26 1.49 -2.16 0.00 0.00 0.00 175.10 174.65 2dlg s PRO 51 N -0.95 4.22 -0.15 2.72 0.04 -1.26 -2.27 135.00 137.35 2dlg s PRO 51 Ca 0.49 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.62 2dlg s PRO 51 Cb -0.34 -3.79 -0.15 0.00 0.04 0.00 0.00 34.50 30.27 2dlg s PRO 51 CO 0.41 -0.73 -0.04 -1.33 0.04 0.00 0.00 177.00 175.35 2dlg n MET 52 N 6.39 1.18 0.00 4.56 2.81 -1.21 -4.96 117.12 125.89 2dlg n MET 52 Ca 0.15 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2dlg n MET 52 Cb 0.43 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2dlg n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dlg n GLY 53 N 2.37 1.13 0.31 3.03 0.00 -1.23 -4.90 105.19 105.90 2dlg n GLY 53 Ca -0.26 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.72 -0.30 1.61 1.57 -2.02 -3.30 116.57 113.41 2dlg h LYS 54 Ca 0.00 0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 2dlg h LYS 54 Cb 0.00 0.16 -0.18 0.00 0.08 0.00 0.00 32.23 32.30 2dlg h LYS 54 CO 0.00 -0.46 -0.64 0.27 -0.57 0.00 0.00 179.45 178.06 2dlg n ASN 55 N -5.39 3.00 -4.41 0.86 0.23 -1.26 -4.92 115.26 103.37 2dlg n ASN 55 Ca -0.12 -3.82 -0.30 0.00 -0.53 0.00 0.00 54.58 49.81 2dlg n ASN 55 Cb 0.32 -0.45 -0.13 0.00 -2.08 0.00 0.00 39.78 37.43 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2dlg s SER 56 N -3.38 3.52 -0.06 0.53 0.15 -1.24 -1.94 113.70 111.28 2dlg s SER 56 Ca 0.43 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 56.44 2dlg s SER 56 Cb 0.39 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2dlg s SER 56 CO -0.03 0.24 0.28 -1.00 1.20 0.00 0.00 173.24 173.94 2dlg s HIS 57 N -0.91 -0.23 -0.02 3.44 3.76 0.92 -3.32 115.29 118.93 2dlg s HIS 57 Ca 0.14 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.58 2dlg s HIS 57 Cb -0.10 0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 2dlg s HIS 57 CO 0.04 -0.25 -0.13 0.00 -0.85 0.00 0.00 174.74 173.56 2dlg s VAL 59 N -0.12 3.68 -0.19 0.00 1.01 -1.21 -0.84 120.40 122.73 2dlg s VAL 59 Ca 0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2dlg s VAL 59 Cb -0.07 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2dlg s VAL 59 CO 0.00 0.11 0.02 -0.13 0.00 0.00 0.00 175.10 175.10 2dlg s ARG 60 N 1.45 3.73 0.12 2.72 0.52 -1.11 -2.49 118.95 123.90 2dlg s ARG 60 Ca 0.02 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.56 2dlg s ARG 60 Cb -0.17 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.24 2dlg s ARG 60 CO 0.01 0.11 0.50 -0.59 0.02 0.00 0.00 175.30 175.35 2dlg s PHE 61 N 0.76 -0.38 -0.50 -0.53 -0.12 -1.19 -3.88 117.98 112.15 2dlg s PHE 61 Ca 0.01 0.18 -0.13 0.00 -0.05 0.00 0.00 56.93 56.94 2dlg s PHE 61 Cb -0.14 0.39 0.12 0.00 -0.63 0.00 0.00 43.02 42.75 2dlg s PHE 61 CO 0.02 -0.74 0.42 0.08 -0.05 0.00 0.00 175.22 174.95 2dlg s VAL 62 N -3.47 4.80 0.64 -2.49 1.01 -1.26 -1.46 120.40 118.17 2dlg s VAL 62 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 2dlg s VAL 62 Cb 0.00 -4.07 0.16 0.00 0.00 0.00 0.00 36.38 32.47 2dlg s VAL 62 CO -0.10 -0.78 0.56 -0.81 0.00 0.00 0.00 175.10 173.98 2dlg n PRO 63 N 5.10 -2.13 -4.23 2.72 -0.04 -1.26 -4.93 135.00 130.24 2dlg n PRO 63 Ca -0.11 -0.90 -0.27 0.00 -0.04 0.00 0.00 63.50 62.18 2dlg n PRO 63 Cb 0.41 -0.85 -0.07 0.00 -0.04 0.00 0.00 33.50 32.96 2dlg n PRO 63 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dlg s GLN 64 N -4.28 2.20 0.08 0.54 -1.52 -1.26 -3.84 119.66 111.58 2dlg s GLN 64 Ca 0.37 -1.99 -0.27 0.00 -1.95 0.00 0.00 55.36 51.52 2dlg s GLN 64 Cb -0.04 -1.90 -0.06 0.00 -0.22 0.00 0.00 33.01 30.80 2dlg s GLN 64 CO 0.28 -0.24 0.84 -1.83 -0.25 0.00 0.00 175.29 174.10 2dlg s GLU 65 N -3.95 4.58 -1.53 2.91 -1.05 -1.26 -3.95 118.70 114.45 2dlg s GLU 65 Ca 0.34 1.22 -0.05 0.00 -0.15 0.00 0.00 54.97 56.33 2dlg s GLU 65 Cb 0.03 -3.36 0.04 0.00 -0.44 0.00 0.00 34.13 30.40 2dlg s GLU 65 CO 0.19 0.27 0.36 -1.33 0.95 0.00 0.00 175.26 175.70 2dlg n MET 66 N 2.74 -2.35 -4.04 -4.83 2.81 -1.26 -4.94 117.12 105.24 2dlg n MET 66 Ca -0.01 0.28 -0.15 0.00 -1.81 0.00 0.00 57.70 56.01 2dlg n MET 66 Cb 0.50 -4.34 -0.15 0.00 -0.71 0.00 0.00 33.22 28.52 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 -4.12 0.19 -0.29 3.03 0.00 -1.25 -5.01 107.32 99.86 2dlg s GLY 67 Ca 0.18 -0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 2dlg s GLY 67 CO 0.94 0.05 0.36 0.14 0.00 0.00 0.00 173.10 174.59 2dlg s VAL 68 N 0.19 5.18 0.23 1.40 1.01 -1.26 -2.97 120.40 124.18 2dlg s VAL 68 Ca -0.02 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.43 2dlg s VAL 68 Cb -0.04 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2dlg s VAL 68 CO -0.00 0.09 0.12 -1.00 0.00 0.00 0.00 175.10 174.30 2dlg s HIS 69 N 2.04 2.99 -0.08 5.22 3.76 -1.02 -3.30 115.29 124.91 2dlg s HIS 69 Ca 0.14 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 2dlg s HIS 69 Cb -0.16 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.18 2dlg s HIS 69 CO 0.11 0.54 -0.15 0.99 -0.85 0.00 0.00 174.74 175.38 2dlg s THR 70 N -2.08 1.36 -0.49 1.30 2.01 -0.53 -2.38 115.64 114.82 2dlg s THR 70 Ca 0.32 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 2dlg s THR 70 Cb -0.08 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.26 2dlg s THR 70 CO 0.23 0.41 0.62 -0.69 -0.69 0.00 0.00 174.62 174.49 2dlg s VAL 71 N 0.65 4.88 -0.60 3.82 1.01 -0.38 -1.32 120.40 128.47 2dlg s VAL 71 Ca -0.14 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 2dlg s VAL 71 Cb -0.16 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.03 2dlg s VAL 71 CO 0.04 -0.75 0.81 -0.44 0.00 0.00 0.00 175.10 174.76 2dlg s SER 72 N 2.53 6.20 -0.45 3.32 0.01 -0.83 -1.05 113.70 123.43 2dlg s SER 72 Ca 0.16 -1.07 -0.06 0.00 1.31 0.00 0.00 55.95 56.29 2dlg s SER 72 Cb -0.18 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 63.81 2dlg s SER 72 CO 0.13 -1.21 0.28 -0.69 0.41 0.00 0.00 173.24 172.16 2dlg s VAL 73 N 3.32 3.71 0.21 3.43 1.01 -1.26 -2.90 120.40 127.92 2dlg s VAL 73 Ca 0.18 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.21 2dlg s VAL 73 Cb -0.19 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2dlg s VAL 73 CO 0.10 -0.74 0.31 -0.54 0.00 0.00 0.00 175.10 174.23 2dlg s LYS 74 N 1.16 3.37 -0.23 2.72 1.02 -1.18 -3.07 119.74 123.53 2dlg s LYS 74 Ca 0.08 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 2dlg s LYS 74 Cb -0.24 -2.87 0.08 0.00 -0.52 0.00 0.00 37.83 34.28 2dlg s LYS 74 CO -0.03 0.46 0.09 -0.47 -0.92 0.00 0.00 175.35 174.48 2dlg s TYR 75 N -1.92 0.67 -1.44 3.18 5.04 -0.58 -3.91 117.35 118.39 2dlg s TYR 75 Ca 0.34 -0.83 -0.09 0.00 -2.44 0.00 0.00 57.07 54.05 2dlg s TYR 75 Cb -0.10 -0.99 0.02 0.00 0.35 0.00 0.00 41.96 41.25 2dlg s TYR 75 CO 0.28 -0.69 0.97 0.54 -1.34 0.00 0.00 175.55 175.31 2dlg n ARG 76 N 5.15 -6.58 -2.70 4.97 1.74 -1.26 -2.22 116.66 115.75 2dlg n ARG 76 Ca -0.06 0.80 -0.06 0.00 -0.77 0.00 0.00 57.85 57.76 2dlg n ARG 76 Cb 0.45 -5.77 0.02 0.00 -1.02 0.00 0.00 32.46 26.14 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 -1.80 0.51 3.09 -0.13 0.00 -1.26 -5.04 105.19 100.56 2dlg n GLY 77 Ca -0.02 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.21 0.52 0.23 1.61 -0.21 -0.94 -5.14 119.66 110.51 2dlg s GLN 78 Ca 0.14 0.84 -0.32 0.00 0.02 0.00 0.00 55.36 56.04 2dlg s GLN 78 Cb -0.06 0.28 -0.14 0.00 1.00 0.00 0.00 33.01 34.10 2dlg s GLN 78 CO 0.17 -0.68 1.41 0.72 -2.12 0.00 0.00 175.29 174.79 2dlg n HIS 79 N 5.41 2.12 -1.94 0.91 8.25 -1.26 -1.53 115.22 127.19 2dlg n HIS 79 Ca -0.01 0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 57.59 2dlg n HIS 79 Cb 0.51 -2.46 0.18 0.00 1.12 0.00 0.00 29.99 29.34 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 0.01 2.00 0.19 1.59 -7.23 -1.17 -4.88 120.40 110.90 2dlg s VAL 80 Ca 0.69 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.55 2dlg s VAL 80 Cb -0.66 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.20 2dlg s VAL 80 CO 0.49 0.00 1.33 0.28 -0.31 0.00 0.00 175.10 176.89 2dlg s THR 81 N -3.86 3.21 0.00 5.32 -1.32 -1.26 -2.67 115.64 115.06 2dlg s THR 81 Ca 0.73 0.97 0.00 0.00 -1.21 0.00 0.00 61.69 62.18 2dlg s THR 81 Cb -0.04 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.33 2dlg s THR 81 CO 0.53 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.68 2dlg n GLY 82 N 2.55 2.90 3.87 6.08 0.00 -1.26 -5.01 105.19 114.32 2dlg n GLY 82 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 6.67 0.44 1.61 0.15 -1.09 -3.49 113.70 117.96 2dlg s SER 83 Ca 0.00 0.92 -0.23 0.00 0.70 0.00 0.00 55.95 57.33 2dlg s SER 83 Cb 0.00 -2.23 -0.08 0.00 -1.71 0.00 0.00 66.02 62.01 2dlg s SER 83 CO 0.00 0.02 1.17 -2.16 1.20 0.00 0.00 173.24 173.47 2dlg s PRO 84 N -2.43 3.83 -0.42 5.44 0.04 -1.26 -4.58 135.00 135.61 2dlg s PRO 84 Ca 0.42 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 2dlg s PRO 84 Cb -0.13 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.96 2dlg s PRO 84 CO 0.20 -0.50 0.55 -0.06 0.04 0.00 0.00 177.00 177.24 2dlg s PHE 85 N -1.51 3.11 0.07 0.56 0.08 -0.21 -4.86 117.98 115.22 2dlg s PHE 85 Ca 0.62 -0.15 -0.20 0.00 0.12 0.00 0.00 56.93 57.32 2dlg s PHE 85 Cb -0.29 -3.14 -0.07 0.00 -0.57 0.00 0.00 43.02 38.95 2dlg s PHE 85 CO 0.36 -0.78 0.59 -1.14 -0.10 0.00 0.00 175.22 174.15 2dlg s GLN 86 N 2.52 4.25 -0.04 0.44 0.74 -1.26 -1.25 119.66 125.06 2dlg s GLN 86 Ca 0.18 0.77 -0.15 0.00 0.05 0.00 0.00 55.36 56.22 2dlg s GLN 86 Cb -0.15 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.73 2dlg s GLN 86 CO 0.16 0.59 0.33 -0.59 -0.55 0.00 0.00 175.29 175.24 2dlg s PHE 87 N -0.96 -0.24 -0.09 1.67 -0.71 -1.00 -5.01 117.98 111.63 2dlg s PHE 87 Ca 0.30 0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 56.62 2dlg s PHE 87 Cb -0.20 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 2dlg s PHE 87 CO 0.19 -0.35 -0.02 0.99 -1.34 0.00 0.00 175.22 174.69 2dlg s THR 88 N -1.00 4.08 -0.02 -4.49 2.01 -1.26 -2.42 115.64 112.55 2dlg s THR 88 Ca -0.11 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 2dlg s THR 88 Cb -0.04 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2dlg s THR 88 CO 0.04 0.59 0.35 -0.69 -0.69 0.00 0.00 174.62 174.21 2dlg s VAL 89 N -0.70 5.15 0.00 3.82 1.01 -1.16 -4.03 120.40 124.49 2dlg s VAL 89 Ca 0.11 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2dlg s VAL 89 Cb -0.12 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2dlg s VAL 89 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2dlg n GLY 90 N 1.74 4.87 3.77 4.51 0.00 -1.19 -4.12 105.19 114.77 2dlg n GLY 90 Ca -0.15 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 2.15 3.95 0.66 1.61 0.04 -1.26 -3.51 135.00 138.63 2dlg s PRO 91 Ca 0.00 1.84 0.26 0.00 0.04 0.00 0.00 61.00 63.14 2dlg s PRO 91 Cb 0.00 -2.59 1.40 0.00 0.04 0.00 0.00 34.50 33.35 2dlg s PRO 91 CO 0.00 -0.41 1.79 1.37 0.04 0.00 0.00 177.00 179.79 2dlg h LEU 92 N 2.44 0.00 0.00 -3.56 8.10 -1.95 -3.39 115.31 116.95 2dlg h LEU 92 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.50 2dlg h LEU 92 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 2dlg h LEU 92 CO 0.62 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 175.56 2dlg n GLY 93 N -1.28 0.19 3.59 0.17 0.00 -1.26 -4.81 105.19 101.80 2dlg n GLY 93 Ca -0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.53 0.29 1.61 2.12 -1.26 -5.18 118.70 116.81 2dlg s GLU 94 Ca 0.00 0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.60 2dlg s GLU 94 Cb 0.00 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 2dlg s GLU 94 CO 0.00 -0.15 0.44 0.20 -0.54 0.00 0.00 175.26 175.21 2dlg s GLY 95 N -0.81 1.33 -0.01 -1.50 0.00 -1.26 -5.12 107.32 99.95 2dlg s GLY 95 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 2dlg s GLY 95 CO -0.01 -1.18 0.04 -0.32 0.00 0.00 0.00 173.10 171.64 2dlg s GLY 96 N -4.04 0.00 0.44 0.20 0.00 -1.26 -5.13 107.32 97.53 2dlg s GLY 96 Ca 0.38 0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.89 2dlg s GLY 96 CO 0.31 -0.00 1.05 -1.26 0.00 0.00 0.00 173.10 173.20 2dlg n SER 97 N 2.80 1.44 0.00 1.64 2.88 -1.26 -4.99 113.62 116.13 2dlg n SER 97 Ca -0.14 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2dlg n SER 97 Cb 0.59 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 1.13 -0.09 3.62 0.46 0.00 -1.26 -5.08 105.19 103.98 2dlg n GLY 98 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.64 -0.41 1.61 0.04 -1.26 -4.94 135.00 129.40 2dlg s PRO 99 Ca 0.00 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.89 2dlg s PRO 99 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.91 2dlg s PRO 99 CO 0.00 -3.37 1.33 0.45 0.04 0.00 0.00 177.00 175.45 2dlg s SER 100 N -3.73 6.46 -0.61 6.66 0.15 -1.26 -4.95 113.70 116.42 2dlg s SER 100 Ca 0.69 0.81 -0.26 0.00 0.70 0.00 0.00 55.95 57.88 2dlg s SER 100 Cb -0.13 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2dlg s SER 100 CO 0.57 -1.33 1.87 -0.55 1.20 0.00 0.00 173.24 175.00 2dlg s SER 101 N 3.41 5.25 0.00 5.45 0.15 -1.26 -5.30 113.70 121.40 2dlg s SER 101 Ca 0.57 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2dlg s SER 101 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dlg s SER 101 CO 0.31 -2.40 0.00 0.61 1.20 0.00 0.00 173.24 172.96