#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg n SER 2 N 0.00 2.29 -4.20 1.61 3.41 -1.26 -4.99 113.62 110.48 2dlg n SER 2 Ca 0.00 1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 59.64 2dlg n SER 2 Cb 0.00 -1.37 -0.10 0.00 -0.26 0.00 0.00 64.21 62.48 2dlg n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dlg s SER 3 N 0.09 1.11 0.00 4.04 1.04 -1.26 -5.13 113.70 113.59 2dlg s SER 3 Ca 0.67 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2dlg s SER 3 Cb -0.69 0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.55 2dlg s SER 3 CO 0.52 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2dlg n GLY 4 N -0.14 0.57 3.58 7.32 0.00 -1.26 -4.95 105.19 110.31 2dlg n GLY 4 Ca -0.09 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2dlg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 5 N 2.00 -0.43 -0.13 1.61 0.15 -1.26 -5.09 113.70 110.54 2dlg s SER 5 Ca 0.00 -0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.10 2dlg s SER 5 Cb 0.00 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2dlg s SER 5 CO 0.00 -1.11 1.41 -0.55 1.20 0.00 0.00 173.24 174.19 2dlg s SER 6 N -2.82 6.83 0.00 5.45 0.15 -1.26 -4.24 113.70 117.82 2dlg s SER 6 Ca 0.05 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2dlg s SER 6 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dlg s SER 6 CO -0.05 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2dlg n GLY 7 N 3.82 1.32 3.07 9.45 0.00 -1.26 -5.09 105.19 116.51 2dlg n GLY 7 Ca 0.15 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.55 0.45 1.61 1.04 -1.26 -5.15 118.95 116.19 2dlg s ARG 8 Ca 0.00 -0.99 -0.24 0.00 -1.04 0.00 0.00 55.73 53.46 2dlg s ARG 8 Cb 0.00 0.20 -0.07 0.00 -2.04 0.00 0.00 34.95 33.03 2dlg s ARG 8 CO 0.00 -0.11 1.22 0.00 -0.04 0.00 0.00 175.30 176.37 2dlg s ALA 9 N -3.15 3.04 1.05 7.88 0.00 -1.26 -4.64 121.76 124.68 2dlg s ALA 9 Ca -0.00 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 2dlg s ALA 9 Cb 0.02 -3.43 0.21 0.00 0.00 0.00 0.00 23.12 19.93 2dlg s ALA 9 CO -0.07 -0.76 1.10 -1.25 0.00 0.00 0.00 175.76 174.78 2dlg s PRO 10 N -2.57 0.01 -0.06 0.00 0.04 -1.26 -5.07 135.00 126.08 2dlg s PRO 10 Ca 0.62 0.37 0.03 0.00 0.04 0.00 0.00 61.00 62.06 2dlg s PRO 10 Cb -0.32 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2dlg s PRO 10 CO 0.40 -2.98 -0.14 -1.54 0.04 0.00 0.00 177.00 172.77 2dlg s SER 11 N -3.55 1.98 -0.18 6.66 1.04 -1.26 -5.03 113.70 113.37 2dlg s SER 11 Ca 0.67 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 2dlg s SER 11 Cb -0.17 -0.85 -0.22 0.00 0.10 0.00 0.00 66.02 64.88 2dlg s SER 11 CO 0.57 0.07 0.15 1.33 0.98 0.00 0.00 173.24 176.34 2dlg n VAL 12 N 3.65 1.67 -4.34 5.02 0.24 -1.26 -4.98 118.33 118.33 2dlg n VAL 12 Ca -0.21 -0.56 -0.21 0.00 -2.04 0.00 0.00 64.34 61.32 2dlg n VAL 12 Cb 0.52 -1.68 -0.11 0.00 -1.47 0.00 0.00 33.84 31.10 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 -2.53 2.02 0.11 2.33 0.00 -1.26 -4.96 121.76 117.47 2dlg s ALA 13 Ca -0.27 -1.54 0.09 0.00 0.00 0.00 0.00 51.96 50.24 2dlg s ALA 13 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2dlg s ALA 13 CO 0.69 0.19 -0.21 0.99 0.00 0.00 0.00 175.76 177.42 2dlg s THR 14 N -2.30 2.65 0.10 0.00 2.01 -1.26 -3.72 115.64 113.12 2dlg s THR 14 Ca 0.18 -1.55 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 2dlg s THR 14 Cb -0.04 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 2dlg s THR 14 CO 0.07 0.13 0.92 0.54 -0.69 0.00 0.00 174.62 175.58 2dlg s VAL 15 N -1.09 4.55 0.00 3.82 0.11 -1.23 -3.92 120.40 122.64 2dlg s VAL 15 Ca 0.16 1.97 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 2dlg s VAL 15 Cb -0.10 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 2dlg s VAL 15 CO 0.08 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 2dlg n GLY 16 N 2.27 1.07 3.83 6.54 0.00 -1.25 -4.52 105.19 113.12 2dlg n GLY 16 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 17 N 0.00 5.56 0.48 1.61 0.15 -1.25 -4.76 113.70 115.49 2dlg s SER 17 Ca 0.00 1.61 -0.23 0.00 0.70 0.00 0.00 55.95 58.03 2dlg s SER 17 Cb 0.00 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 2dlg s SER 17 CO 0.00 -1.32 1.27 -0.63 1.20 0.00 0.00 173.24 173.76 2dlg s ILE 18 N -3.00 2.59 -0.45 6.45 -1.09 -1.26 -4.39 121.20 120.06 2dlg s ILE 18 Ca 0.58 0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 59.45 2dlg s ILE 18 Cb -0.14 -3.24 0.12 0.00 -1.58 0.00 0.00 42.46 37.62 2dlg s ILE 18 CO 0.53 0.01 0.23 0.00 -1.23 0.00 0.00 174.94 174.47 2dlg s ASP 20 N 1.35 7.04 -0.06 0.00 1.01 -1.23 -3.96 116.67 120.82 2dlg s ASP 20 Ca 0.11 1.27 -0.21 0.00 0.71 0.00 0.00 52.55 54.43 2dlg s ASP 20 Cb -0.22 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 2dlg s ASP 20 CO -0.04 -0.73 0.59 -0.22 0.21 0.00 0.00 175.17 174.97 2dlg s LEU 21 N 3.33 4.34 -0.57 1.23 2.96 -0.85 -4.88 118.68 124.24 2dlg s LEU 21 Ca 0.44 1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 55.22 2dlg s LEU 21 Cb -0.14 -2.89 0.09 0.00 0.50 0.00 0.00 46.19 43.75 2dlg s LEU 21 CO 0.09 0.01 0.69 0.20 -1.32 0.00 0.00 176.35 176.01 2dlg s ASN 22 N 0.36 6.19 -0.06 3.68 0.01 -1.26 -3.67 114.94 120.19 2dlg s ASN 22 Ca 0.31 -1.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.23 2dlg s ASN 22 Cb -0.17 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2dlg s ASN 22 CO 0.15 -1.06 -0.17 -0.76 -1.51 0.00 0.00 177.10 173.75 2dlg s LEU 23 N 2.71 1.86 -0.52 0.60 1.43 -1.19 -5.05 118.68 118.52 2dlg s LEU 23 Ca 0.13 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2dlg s LEU 23 Cb -0.23 -1.01 0.16 0.00 0.03 0.00 0.00 46.19 45.15 2dlg s LEU 23 CO 0.08 0.12 0.38 -1.59 0.23 0.00 0.00 176.35 175.56 2dlg s LYS 24 N 0.29 1.53 -0.43 1.70 -2.85 -1.26 -1.72 119.74 116.99 2dlg s LYS 24 Ca -0.10 -2.52 0.04 0.00 -1.00 0.00 0.00 55.97 52.39 2dlg s LYS 24 Cb -0.14 -2.30 0.12 0.00 -2.06 0.00 0.00 37.83 33.45 2dlg s LYS 24 CO 0.04 -1.31 0.17 0.42 0.10 0.00 0.00 175.35 174.77 2dlg s ILE 25 N -0.42 2.32 -0.78 3.79 1.01 -1.20 -4.94 121.20 120.99 2dlg s ILE 25 Ca 0.27 -2.80 0.18 0.00 0.00 0.00 0.00 60.65 58.30 2dlg s ILE 25 Cb -0.05 -2.66 0.17 0.00 0.01 0.00 0.00 42.46 39.93 2dlg s ILE 25 CO -0.15 -0.72 1.56 -0.81 0.00 0.00 0.00 174.94 174.82 2dlg n PRO 26 N 3.67 0.08 0.13 2.79 -0.04 -1.26 -2.15 135.00 138.22 2dlg n PRO 26 Ca 0.05 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2dlg n PRO 26 Cb 0.37 -1.66 0.27 0.00 -0.04 0.00 0.00 33.50 32.44 2dlg n PRO 26 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dlg h GLU 27 N 0.00 0.00 -4.62 0.54 4.81 -1.96 -3.45 114.58 109.91 2dlg h GLU 27 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 2dlg h GLU 27 Cb 0.29 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.36 2dlg h GLU 27 CO 0.00 0.00 -0.79 0.42 -0.73 0.00 0.00 179.01 177.91 2dlg s ILE 28 N -3.16 0.84 0.08 2.32 1.01 -0.91 -5.15 121.20 116.23 2dlg s ILE 28 Ca 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2dlg s ILE 28 Cb 0.10 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 2dlg s ILE 28 CO 0.65 0.26 0.27 0.20 0.00 0.00 0.00 174.94 176.33 2dlg s ASN 29 N 0.24 6.41 0.20 3.58 -0.87 -1.26 -4.77 114.94 118.47 2dlg s ASN 29 Ca -0.04 0.40 0.13 0.00 -1.57 0.00 0.00 52.86 51.77 2dlg s ASN 29 Cb -0.09 -2.01 0.68 0.00 -0.02 0.00 0.00 41.25 39.81 2dlg s ASN 29 CO 0.01 0.14 1.37 -1.54 -2.57 0.00 0.00 177.10 174.50 2dlg n SER 30 N 0.28 0.33 0.03 -1.22 3.41 -1.26 -1.18 113.62 113.99 2dlg n SER 30 Ca -0.05 0.64 -0.06 0.00 -0.26 0.00 0.00 58.87 59.14 2dlg n SER 30 Cb 0.51 -0.67 0.13 0.00 -0.26 0.00 0.00 64.21 63.93 2dlg n SER 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dlg h SER 31 N 0.00 0.48 -0.34 4.04 4.64 -1.99 -3.06 113.55 117.32 2dlg h SER 31 Ca 0.00 -0.22 -0.12 0.00 -0.47 0.00 0.00 61.79 60.98 2dlg h SER 31 Cb 0.07 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 61.95 2dlg h SER 31 CO 0.00 0.85 -0.01 0.47 -0.87 0.00 0.00 176.83 177.27 2dlg n ASP 32 N -4.01 3.10 -4.88 4.97 8.00 -0.33 -5.01 116.55 118.40 2dlg n ASP 32 Ca -0.02 -3.45 -0.27 0.00 0.71 0.00 0.00 54.79 51.77 2dlg n ASP 32 Cb 0.52 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.07 3.20 -0.25 -1.24 -1.94 -1.13 -4.67 119.30 110.20 2dlg s MET 33 Ca 0.44 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.70 2dlg s MET 33 Cb 0.38 -2.83 0.14 0.00 2.01 0.00 0.00 34.83 34.52 2dlg s MET 33 CO 0.04 0.52 0.41 -1.12 -0.01 0.00 0.00 175.02 174.86 2dlg s SER 34 N -3.08 -0.03 0.13 3.03 0.01 -1.25 -5.01 113.70 107.50 2dlg s SER 34 Ca 0.33 0.38 0.04 0.00 1.31 0.00 0.00 55.95 58.02 2dlg s SER 34 Cb -0.11 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.37 2dlg s SER 34 CO 0.26 -0.29 0.10 0.00 0.41 0.00 0.00 173.24 173.73 2dlg s ALA 35 N 2.60 3.54 -0.13 1.44 0.00 -1.26 -2.93 121.76 125.01 2dlg s ALA 35 Ca 0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 2dlg s ALA 35 Cb -0.15 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.66 2dlg s ALA 35 CO -0.16 0.61 0.29 -1.01 0.00 0.00 0.00 175.76 175.48 2dlg s HIS 36 N -1.59 -0.43 -0.65 0.00 3.76 -0.91 -2.48 115.29 112.99 2dlg s HIS 36 Ca 0.30 0.96 -0.23 0.00 -0.15 0.00 0.00 55.06 55.94 2dlg s HIS 36 Cb -0.11 0.07 0.07 0.00 1.11 0.00 0.00 32.58 33.72 2dlg s HIS 36 CO 0.22 -0.30 0.96 0.08 -0.85 0.00 0.00 174.74 174.85 2dlg s VAL 37 N 1.70 4.33 -0.15 -0.90 1.01 -0.45 -0.78 120.40 125.17 2dlg s VAL 37 Ca -0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2dlg s VAL 37 Cb -0.11 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 2dlg s VAL 37 CO -0.09 -1.41 0.69 -0.89 0.00 0.00 0.00 175.10 173.39 2dlg s THR 38 N 4.05 5.01 0.45 3.92 2.01 0.63 -1.87 115.64 129.84 2dlg s THR 38 Ca 0.23 1.35 -0.06 0.00 0.31 0.00 0.00 61.69 63.53 2dlg s THR 38 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2dlg s THR 38 CO 0.11 0.15 0.76 -0.44 -0.69 0.00 0.00 174.62 174.51 2dlg s SER 39 N 1.03 6.32 0.00 3.53 0.01 0.98 -0.45 113.70 125.12 2dlg s SER 39 Ca 0.33 0.93 0.14 0.00 1.31 0.00 0.00 55.95 58.66 2dlg s SER 39 Cb -0.16 -2.24 0.61 0.00 0.21 0.00 0.00 66.02 64.43 2dlg s SER 39 CO 0.13 -0.52 1.45 -0.81 0.41 0.00 0.00 173.24 173.90 2dlg n PRO 40 N -2.01 0.02 0.07 12.44 -0.04 -1.17 -2.18 135.00 142.12 2dlg n PRO 40 Ca 0.00 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2dlg n PRO 40 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.77 0.00 3.54 3.41 -1.26 -4.95 113.62 113.64 2dlg n SER 41 Ca 0.04 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2dlg n SER 41 Cb 0.16 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.26 1.63 3.31 5.00 0.00 -0.93 -5.11 105.19 110.35 2dlg n GLY 42 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 3.31 -0.01 1.61 3.52 -1.26 -4.90 118.95 121.13 2dlg s ARG 43 Ca 0.00 -0.68 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2dlg s ARG 43 Cb 0.00 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 2dlg s ARG 43 CO 0.00 -0.25 -0.20 0.54 -0.81 0.00 0.00 175.30 174.58 2dlg s VAL 44 N 1.48 2.57 0.47 7.11 0.11 -1.26 -0.01 120.40 130.86 2dlg s VAL 44 Ca 0.05 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2dlg s VAL 44 Cb -0.15 -1.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2dlg s VAL 44 CO -0.02 0.52 0.09 0.35 -3.33 0.00 0.00 175.10 172.71 2dlg n THR 45 N 2.17 0.00 -3.72 5.04 -2.24 -0.78 -4.93 114.28 109.82 2dlg n THR 45 Ca -0.17 -2.49 -0.37 0.00 -2.27 0.00 0.00 64.05 58.75 2dlg n THR 45 Cb 0.52 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 2dlg n THR 45 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2dlg s GLU 46 N -3.74 3.72 0.31 -0.78 2.12 -1.26 -1.34 118.70 117.73 2dlg s GLU 46 Ca 0.13 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2dlg s GLU 46 Cb 0.01 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2dlg s GLU 46 CO 0.09 0.66 0.30 0.00 -0.54 0.00 0.00 175.26 175.77 2dlg s ALA 47 N -0.78 3.83 -0.11 6.30 0.00 -1.04 -4.85 121.76 125.13 2dlg s ALA 47 Ca 0.17 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 2dlg s ALA 47 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2dlg s ALA 47 CO 0.06 0.08 0.03 -2.00 0.00 0.00 0.00 175.76 173.94 2dlg s GLU 48 N -3.98 3.23 -0.44 0.00 2.12 -1.25 -4.68 118.70 113.71 2dlg s GLU 48 Ca 0.39 -0.35 -0.07 0.00 0.36 0.00 0.00 54.97 55.30 2dlg s GLU 48 Cb -0.07 -2.93 0.11 0.00 0.26 0.00 0.00 34.13 31.50 2dlg s GLU 48 CO 0.27 0.64 0.27 0.42 -0.54 0.00 0.00 175.26 176.32 2dlg s ILE 49 N -0.70 3.86 0.16 -3.70 1.01 -1.26 -2.29 121.20 118.28 2dlg s ILE 49 Ca 0.11 -1.79 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 2dlg s ILE 49 Cb -0.12 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 2dlg s ILE 49 CO 0.02 -0.68 1.22 -0.69 0.00 0.00 0.00 174.94 174.81 2dlg s VAL 50 N 1.30 3.61 -0.71 2.92 1.01 -0.50 -4.86 120.40 123.17 2dlg s VAL 50 Ca 0.06 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 2dlg s VAL 50 Cb -0.24 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2dlg s VAL 50 CO -0.01 0.18 1.89 -2.16 0.00 0.00 0.00 175.10 175.00 2dlg s PRO 51 N 0.08 2.60 -0.03 2.72 0.04 -1.26 -3.18 135.00 135.97 2dlg s PRO 51 Ca 0.55 0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 2dlg s PRO 51 Cb -0.33 -4.61 -0.08 0.00 0.04 0.00 0.00 34.50 29.52 2dlg s PRO 51 CO 0.35 -2.94 0.65 0.52 0.04 0.00 0.00 177.00 175.62 2dlg h MET 52 N 13.78 -0.52 0.00 4.56 2.86 -1.92 -3.50 114.93 130.19 2dlg h MET 52 Ca -0.14 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2dlg h MET 52 Cb 1.11 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2dlg h MET 52 CO 1.22 -0.35 0.00 0.41 1.06 0.00 0.00 176.91 179.25 2dlg n GLY 53 N 0.33 -0.00 0.68 8.32 0.00 -1.26 -5.02 105.19 108.25 2dlg n GLY 53 Ca -0.07 0.40 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 2dlg n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dlg n LYS 54 N 0.00 0.15 -1.96 1.61 4.01 -1.26 -4.82 118.16 115.88 2dlg n LYS 54 Ca 0.00 0.06 -0.28 0.00 -0.51 0.00 0.00 58.31 57.58 2dlg n LYS 54 Cb 0.00 -0.68 0.03 0.00 -0.51 0.00 0.00 35.03 33.87 2dlg n LYS 54 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2dlg n ASN 55 N -3.52 5.62 -3.97 4.39 0.23 -1.26 -4.88 115.26 111.87 2dlg n ASN 55 Ca -0.04 -3.76 -0.19 0.00 -0.53 0.00 0.00 54.58 50.06 2dlg n ASN 55 Cb 0.14 -0.54 -0.15 0.00 -2.08 0.00 0.00 39.78 37.15 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 -3.07 1.00 -0.00 0.53 0.01 -1.26 -3.22 113.70 107.70 2dlg s SER 56 Ca 0.53 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2dlg s SER 56 Cb 0.43 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 2dlg s SER 56 CO -0.05 0.04 -0.18 -1.00 0.41 0.00 0.00 173.24 172.46 2dlg s HIS 57 N 0.29 1.64 -0.30 2.43 3.76 -0.70 -3.57 115.29 118.84 2dlg s HIS 57 Ca -0.04 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2dlg s HIS 57 Cb -0.08 -1.04 0.09 0.00 1.11 0.00 0.00 32.58 32.66 2dlg s HIS 57 CO 0.00 -0.00 0.06 0.00 -0.85 0.00 0.00 174.74 173.95 2dlg s VAL 59 N 1.43 4.83 -0.17 0.00 1.01 -1.24 -1.41 120.40 124.85 2dlg s VAL 59 Ca 0.07 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 2dlg s VAL 59 Cb -0.18 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2dlg s VAL 59 CO -0.17 -0.06 -0.10 -0.13 0.00 0.00 0.00 175.10 174.63 2dlg s ARG 60 N 2.71 3.36 0.19 2.72 0.52 -0.97 -2.02 118.95 125.47 2dlg s ARG 60 Ca 0.37 -0.67 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 2dlg s ARG 60 Cb -0.16 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.56 2dlg s ARG 60 CO 0.08 0.03 0.51 -0.59 0.02 0.00 0.00 175.30 175.35 2dlg s PHE 61 N 0.84 -0.08 -0.43 -0.53 -0.12 -1.25 -3.82 117.98 112.60 2dlg s PHE 61 Ca -0.03 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 56.54 2dlg s PHE 61 Cb -0.15 0.36 0.11 0.00 -0.63 0.00 0.00 43.02 42.72 2dlg s PHE 61 CO 0.01 -0.91 0.24 0.08 -0.05 0.00 0.00 175.22 174.59 2dlg s VAL 62 N -3.88 3.49 0.77 -2.49 1.01 -1.26 -1.74 120.40 116.31 2dlg s VAL 62 Ca 0.10 -2.01 -0.13 0.00 0.00 0.00 0.00 61.98 59.94 2dlg s VAL 62 Cb -0.01 -3.37 0.19 0.00 0.00 0.00 0.00 36.38 33.19 2dlg s VAL 62 CO -0.02 -0.71 0.69 -0.81 0.00 0.00 0.00 175.10 174.24 2dlg n PRO 63 N 4.65 -2.36 -3.88 2.72 -0.04 -1.26 -4.94 135.00 129.88 2dlg n PRO 63 Ca -0.03 -1.10 -0.24 0.00 -0.04 0.00 0.00 63.50 62.09 2dlg n PRO 63 Cb 0.41 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.56 2.33 -0.04 0.54 -1.52 -1.26 -3.91 119.66 111.24 2dlg s GLN 64 Ca 0.45 -1.81 -0.20 0.00 -1.95 0.00 0.00 55.36 51.84 2dlg s GLN 64 Cb -0.04 -2.14 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 2dlg s GLN 64 CO 0.34 -0.31 0.58 -1.83 -0.25 0.00 0.00 175.29 173.83 2dlg s GLU 65 N -4.10 4.33 -1.22 2.91 -1.05 -1.26 -4.21 118.70 114.10 2dlg s GLU 65 Ca 0.40 0.69 -0.05 0.00 -0.15 0.00 0.00 54.97 55.86 2dlg s GLU 65 Cb -0.00 -3.37 -0.01 0.00 -0.44 0.00 0.00 34.13 30.30 2dlg s GLU 65 CO 0.23 0.29 0.78 -1.33 0.95 0.00 0.00 175.26 176.19 2dlg n MET 66 N 3.03 -3.89 -3.71 -4.83 2.81 -1.26 -5.00 117.12 104.27 2dlg n MET 66 Ca -0.06 0.65 -0.12 0.00 -1.81 0.00 0.00 57.70 56.36 2dlg n MET 66 Cb 0.51 -5.14 -0.10 0.00 -0.71 0.00 0.00 33.22 27.77 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 -4.03 -0.33 -0.32 3.03 0.00 -1.26 -5.05 107.32 99.36 2dlg s GLY 67 Ca 0.17 1.40 -0.19 0.00 0.00 0.00 0.00 44.72 46.10 2dlg s GLY 67 CO 0.80 1.42 0.57 0.14 0.00 0.00 0.00 173.10 176.02 2dlg s VAL 68 N 0.90 4.98 0.27 1.40 1.01 -1.26 -2.98 120.40 124.71 2dlg s VAL 68 Ca -0.05 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2dlg s VAL 68 Cb -0.06 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2dlg s VAL 68 CO -0.07 -0.15 0.23 -1.00 0.00 0.00 0.00 175.10 174.11 2dlg s HIS 69 N 2.49 3.11 -0.05 5.22 3.76 -0.82 -3.06 115.29 125.94 2dlg s HIS 69 Ca 0.22 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2dlg s HIS 69 Cb -0.15 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.07 2dlg s HIS 69 CO 0.12 0.45 -0.08 0.99 -0.85 0.00 0.00 174.74 175.37 2dlg s THR 70 N -2.15 0.83 -0.53 1.30 2.01 0.40 -1.72 115.64 115.79 2dlg s THR 70 Ca 0.34 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 2dlg s THR 70 Cb -0.08 -0.79 0.05 0.00 0.01 0.00 0.00 72.50 71.69 2dlg s THR 70 CO 0.26 0.29 0.79 -0.69 -0.69 0.00 0.00 174.62 174.57 2dlg s VAL 71 N 0.75 4.63 -0.57 3.82 1.01 0.46 -0.27 120.40 130.24 2dlg s VAL 71 Ca -0.13 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 2dlg s VAL 71 Cb -0.15 -4.42 0.06 0.00 0.00 0.00 0.00 36.38 31.87 2dlg s VAL 71 CO 0.02 -0.95 0.85 -0.44 0.00 0.00 0.00 175.10 174.57 2dlg s SER 72 N 2.74 6.26 -0.37 3.32 0.01 0.04 -1.77 113.70 123.93 2dlg s SER 72 Ca 0.23 -0.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 2dlg s SER 72 Cb -0.16 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.75 2dlg s SER 72 CO 0.16 -1.18 0.16 -0.69 0.41 0.00 0.00 173.24 172.10 2dlg s VAL 73 N 3.54 3.89 0.15 3.43 1.01 -1.26 -2.15 120.40 129.01 2dlg s VAL 73 Ca 0.23 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2dlg s VAL 73 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2dlg s VAL 73 CO 0.14 -0.32 -0.07 -0.54 0.00 0.00 0.00 175.10 174.32 2dlg s LYS 74 N 1.39 2.18 -0.23 2.72 1.02 -1.15 -2.89 119.74 122.78 2dlg s LYS 74 Ca 0.01 -1.13 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 2dlg s LYS 74 Cb -0.21 -2.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.91 2dlg s LYS 74 CO 0.02 0.47 0.07 -0.47 -0.92 0.00 0.00 175.35 174.52 2dlg s TYR 75 N -1.53 0.92 -1.69 3.18 5.04 0.49 -3.84 117.35 119.92 2dlg s TYR 75 Ca 0.24 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2dlg s TYR 75 Cb -0.10 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2dlg s TYR 75 CO 0.16 -0.68 0.00 0.54 -1.34 0.00 0.00 175.55 174.23 2dlg n ARG 76 N 5.08 -1.36 -1.43 4.97 1.74 -1.26 -2.41 116.66 121.98 2dlg n ARG 76 Ca -0.07 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 2dlg n ARG 76 Cb 0.46 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 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 -0.92 0.97 3.30 -0.13 0.00 -1.26 -5.08 105.19 102.08 2dlg n GLY 77 Ca -0.20 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.03 0.39 0.09 1.61 -2.07 -1.01 -5.13 119.66 110.50 2dlg s GLN 78 Ca 0.00 0.93 -0.31 0.00 -1.82 0.00 0.00 55.36 54.16 2dlg s GLN 78 Cb 0.00 0.15 -0.08 0.00 -1.09 0.00 0.00 33.01 31.99 2dlg s GLN 78 CO 0.00 -0.20 1.53 -1.01 -1.32 0.00 0.00 175.29 174.29 2dlg s HIS 79 N 1.94 2.85 1.10 9.60 3.76 -1.26 -0.38 115.29 132.91 2dlg s HIS 79 Ca -0.06 0.63 -0.17 0.00 -0.15 0.00 0.00 55.06 55.31 2dlg s HIS 79 Cb -0.10 -3.84 0.24 0.00 1.11 0.00 0.00 32.58 30.00 2dlg s HIS 79 CO -0.13 -3.16 1.13 0.14 -0.85 0.00 0.00 174.74 171.87 2dlg s VAL 80 N 1.86 1.78 0.27 -0.90 -7.23 -1.14 -4.94 120.40 110.10 2dlg s VAL 80 Ca 0.69 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.57 2dlg s VAL 80 Cb -0.39 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 2dlg s VAL 80 CO 0.30 0.00 1.35 0.28 -0.31 0.00 0.00 175.10 176.72 2dlg s THR 81 N -3.12 2.82 0.00 5.32 -1.32 -1.26 -2.79 115.64 115.28 2dlg s THR 81 Ca 0.69 0.75 0.00 0.00 -1.21 0.00 0.00 61.69 61.92 2dlg s THR 81 Cb -0.12 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2dlg s THR 81 CO 0.56 0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.72 2dlg n GLY 82 N 1.60 2.25 3.84 6.08 0.00 -1.26 -5.00 105.19 112.70 2dlg n GLY 82 Ca 0.03 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 0.18 6.64 0.63 1.61 1.04 -1.12 -4.18 113.70 118.51 2dlg s SER 83 Ca 0.00 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 2dlg s SER 83 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 2dlg s SER 83 CO 0.00 -0.57 1.11 -2.16 0.98 0.00 0.00 173.24 172.60 2dlg s PRO 84 N -3.96 2.93 -0.39 4.02 0.04 -1.26 -4.70 135.00 131.68 2dlg s PRO 84 Ca 0.59 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 2dlg s PRO 84 Cb -0.10 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dlg s PRO 84 CO 0.29 -1.15 0.24 -0.06 0.04 0.00 0.00 177.00 176.36 2dlg s PHE 85 N -2.20 3.26 0.10 0.56 0.08 -0.73 -4.93 117.98 114.12 2dlg s PHE 85 Ca 0.68 -1.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.59 2dlg s PHE 85 Cb -0.21 -2.57 -0.06 0.00 -0.57 0.00 0.00 43.02 39.60 2dlg s PHE 85 CO 0.38 -0.68 0.51 -1.14 -0.10 0.00 0.00 175.22 174.19 2dlg s GLN 86 N 1.56 3.98 -0.18 0.44 0.74 -1.26 -0.40 119.66 124.53 2dlg s GLN 86 Ca 0.02 0.48 -0.17 0.00 0.05 0.00 0.00 55.36 55.74 2dlg s GLN 86 Cb -0.20 -3.05 0.05 0.00 1.10 0.00 0.00 33.01 30.91 2dlg s GLN 86 CO 0.06 0.56 0.48 -0.59 -0.55 0.00 0.00 175.29 175.25 2dlg s PHE 87 N -1.32 -0.53 -0.20 1.67 -0.12 -0.70 -4.99 117.98 111.78 2dlg s PHE 87 Ca 0.33 1.28 -0.09 0.00 -0.05 0.00 0.00 56.93 58.40 2dlg s PHE 87 Cb -0.16 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2dlg s PHE 87 CO 0.18 -0.26 0.11 0.99 -0.05 0.00 0.00 175.22 176.19 2dlg s THR 88 N 0.23 5.17 0.23 -4.49 2.01 -1.26 -1.94 115.64 115.58 2dlg s THR 88 Ca -0.00 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2dlg s THR 88 Cb -0.03 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 2dlg s THR 88 CO 0.01 0.42 0.98 -0.69 -0.69 0.00 0.00 174.62 174.65 2dlg s VAL 89 N 0.55 4.02 0.00 3.82 1.01 -1.16 -4.52 120.40 124.11 2dlg s VAL 89 Ca 0.06 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2dlg s VAL 89 Cb -0.12 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2dlg s VAL 89 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2dlg n GLY 90 N 1.55 6.06 3.77 4.51 0.00 -1.24 -4.41 105.19 115.44 2dlg n GLY 90 Ca -0.01 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 1.67 4.20 0.66 1.61 0.04 -1.26 -3.49 135.00 138.44 2dlg s PRO 91 Ca 0.00 1.95 0.42 0.00 0.04 0.00 0.00 61.00 63.41 2dlg s PRO 91 Cb 0.00 -2.85 2.28 0.00 0.04 0.00 0.00 34.50 33.97 2dlg s PRO 91 CO 0.00 -0.23 2.31 1.37 0.04 0.00 0.00 177.00 180.49 2dlg h LEU 92 N 2.98 0.00 0.00 -3.56 -0.00 -1.96 -3.40 115.31 109.38 2dlg h LEU 92 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 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 -1.12 0.72 3.71 0.17 0.00 -1.26 -4.87 105.19 102.55 2dlg n GLY 93 Ca -0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2dlg n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dlg s GLU 94 N -0.65 0.69 0.00 1.61 -1.05 -1.26 -4.89 118.70 113.15 2dlg s GLU 94 Ca 0.00 0.46 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 2dlg s GLU 94 Cb 0.00 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 2dlg s GLU 94 CO 0.00 -2.54 0.00 0.41 0.95 0.00 0.00 175.26 174.08 2dlg n GLY 95 N -1.43 0.36 3.33 -3.83 0.00 -1.26 -5.15 105.19 97.20 2dlg n GLY 95 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2dlg n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dlg s GLY 96 N 0.00 -0.30 -0.14 -0.02 0.00 -1.26 -5.07 107.32 100.53 2dlg s GLY 96 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 2dlg s GLY 96 CO 0.00 0.29 -0.17 -1.14 0.00 0.00 0.00 173.10 172.08 2dlg n SER 97 N 0.92 1.13 -3.67 1.64 3.41 -1.26 -5.07 113.62 110.72 2dlg n SER 97 Ca -0.20 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 2dlg n SER 97 Cb 0.58 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 2dlg n SER 97 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dlg s GLY 98 N -5.25 -0.46 -0.69 5.00 0.00 -1.26 -5.10 107.32 99.55 2dlg s GLY 98 Ca -0.19 1.75 -0.26 0.00 0.00 0.00 0.00 44.72 46.02 2dlg s GLY 98 CO 0.25 1.57 1.89 2.56 0.00 0.00 0.00 173.10 179.37 2dlg s PRO 99 N 0.53 2.60 -0.17 2.90 0.04 -1.26 -4.97 135.00 134.67 2dlg s PRO 99 Ca -0.02 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 2dlg s PRO 99 Cb -0.05 -4.58 -0.05 0.00 0.04 0.00 0.00 34.50 29.87 2dlg s PRO 99 CO -0.02 -2.92 0.23 0.45 0.04 0.00 0.00 177.00 174.78 2dlg s SER 100 N 8.11 6.35 -0.14 6.66 0.15 -1.26 -4.99 113.70 128.58 2dlg s SER 100 Ca 0.68 0.41 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 2dlg s SER 100 Cb -0.11 -2.15 -0.25 0.00 -1.71 0.00 0.00 66.02 61.80 2dlg s SER 100 CO 0.15 0.13 0.50 -1.28 1.20 0.00 0.00 173.24 173.93 2dlg h SER 101 N 6.67 0.22 0.00 5.45 0.87 -2.09 -3.55 113.55 121.11 2dlg h SER 101 Ca -0.41 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.36 2dlg h SER 101 Cb 1.16 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2dlg h SER 101 CO 0.76 1.49 0.00 0.61 -0.53 0.00 0.00 176.83 179.15