#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 5.90 0.21 1.61 0.01 -1.26 -4.83 113.70 115.35 2dlg s SER 2 Ca 0.00 -1.10 -0.09 0.00 1.31 0.00 0.00 55.95 56.07 2dlg s SER 2 Cb 0.00 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.98 2dlg s SER 2 CO 0.00 -2.05 1.71 0.28 0.41 0.00 0.00 173.24 173.58 2dlg h SER 3 N 10.47 0.03 -5.00 2.44 0.02 -2.17 -3.48 113.55 115.87 2dlg h SER 3 Ca 0.15 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2dlg h SER 3 Cb 1.01 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2dlg h SER 3 CO 1.33 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.65 2dlg n GLY 4 N -1.32 2.29 3.59 -3.77 0.00 -1.26 -5.10 105.19 99.62 2dlg n GLY 4 Ca 0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 2dlg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 5 N 0.00 -0.86 0.34 1.61 0.01 -1.26 -5.18 113.70 108.36 2dlg s SER 5 Ca 0.00 1.25 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 2dlg s SER 5 Cb 0.00 1.73 0.01 0.00 0.21 0.00 0.00 66.02 67.97 2dlg s SER 5 CO 0.00 -0.18 0.52 -0.94 0.41 0.00 0.00 173.24 173.05 2dlg s SER 6 N 2.20 0.64 -0.44 2.44 1.04 -1.26 -5.12 113.70 113.21 2dlg s SER 6 Ca -0.07 -1.36 0.05 0.00 0.48 0.00 0.00 55.95 55.05 2dlg s SER 6 Cb -0.07 0.68 0.30 0.00 0.10 0.00 0.00 66.02 67.03 2dlg s SER 6 CO -0.18 -1.34 1.12 0.61 0.98 0.00 0.00 173.24 174.42 2dlg n GLY 7 N -0.53 -0.09 2.78 7.32 0.00 -1.26 -5.02 105.19 108.39 2dlg n GLY 7 Ca -0.01 0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 2dlg n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dlg n ARG 8 N 0.82 3.10 -3.92 1.61 3.00 -1.26 -4.97 116.66 115.04 2dlg n ARG 8 Ca 0.04 -3.43 -0.34 0.00 -0.01 0.00 0.00 57.85 54.11 2dlg n ARG 8 Cb 0.69 -2.28 -0.05 0.00 0.00 0.00 0.00 32.46 30.82 2dlg n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dlg s ALA 9 N -3.53 3.92 1.19 7.54 0.00 -1.26 -5.11 121.76 124.51 2dlg s ALA 9 Ca 0.52 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 2dlg s ALA 9 Cb 0.39 -1.87 0.23 0.00 0.00 0.00 0.00 23.12 21.87 2dlg s ALA 9 CO -0.33 0.73 0.83 -0.35 0.00 0.00 0.00 175.76 176.64 2dlg n PRO 10 N 1.07 -2.64 -3.42 0.00 -0.04 -1.26 -4.95 135.00 123.76 2dlg n PRO 10 Ca -0.12 -1.33 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 2dlg n PRO 10 Cb 0.53 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 2dlg n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dlg s SER 11 N -3.74 6.15 0.02 3.54 0.01 -1.26 -4.54 113.70 113.88 2dlg s SER 11 Ca 0.54 -0.51 0.22 0.00 1.31 0.00 0.00 55.95 57.51 2dlg s SER 11 Cb -0.05 -2.18 -0.14 0.00 0.21 0.00 0.00 66.02 63.85 2dlg s SER 11 CO 0.41 -0.40 0.82 1.33 0.41 0.00 0.00 173.24 175.82 2dlg n VAL 12 N 5.24 0.10 -4.29 3.43 0.24 -1.23 -4.94 118.33 116.89 2dlg n VAL 12 Ca -0.10 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.70 2dlg n VAL 12 Cb 0.48 0.29 -0.12 0.00 -1.47 0.00 0.00 33.84 33.03 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 -3.27 1.78 0.41 2.33 0.00 -1.24 -5.09 121.76 116.68 2dlg s ALA 13 Ca 0.01 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2dlg s ALA 13 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 2dlg s ALA 13 CO 0.85 0.26 0.60 0.99 0.00 0.00 0.00 175.76 178.46 2dlg s THR 14 N -1.67 3.93 -0.16 0.00 2.01 -1.26 -3.03 115.64 115.46 2dlg s THR 14 Ca 0.10 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 2dlg s THR 14 Cb -0.08 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2dlg s THR 14 CO 0.05 -0.24 0.23 0.54 -0.69 0.00 0.00 174.62 174.51 2dlg s VAL 15 N -2.43 5.34 0.00 3.82 0.11 -1.22 -4.35 120.40 121.68 2dlg s VAL 15 Ca 0.48 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 2dlg s VAL 15 Cb -0.10 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2dlg s VAL 15 CO 0.35 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 173.17 2dlg n GLY 16 N 3.24 1.69 3.79 6.54 0.00 -1.26 -4.44 105.19 114.76 2dlg n GLY 16 Ca -0.14 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 0.04 6.40 0.03 1.61 0.15 -1.26 -4.88 113.70 115.78 2dlg s SER 17 Ca 0.00 1.98 -0.32 0.00 0.70 0.00 0.00 55.95 58.31 2dlg s SER 17 Cb 0.00 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.63 2dlg s SER 17 CO 0.00 -0.74 1.86 -0.38 1.20 0.00 0.00 173.24 175.18 2dlg n ILE 18 N -0.76 0.51 -3.41 6.45 2.08 -1.26 -4.57 119.36 118.40 2dlg n ILE 18 Ca 0.08 -0.09 -0.44 0.00 0.56 0.00 0.00 62.75 62.87 2dlg n ILE 18 Cb 0.52 -2.01 -0.09 0.00 -0.75 0.00 0.00 39.64 37.31 2dlg n ILE 18 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlg s ASP 20 N 2.09 6.60 -0.25 0.00 -4.77 -1.25 -2.46 116.67 116.63 2dlg s ASP 20 Ca 0.05 0.71 0.02 0.00 -3.30 0.00 0.00 52.55 50.03 2dlg s ASP 20 Cb -0.21 -2.15 0.05 0.00 -1.09 0.00 0.00 42.92 39.52 2dlg s ASP 20 CO 0.09 0.27 -0.11 -0.22 0.70 0.00 0.00 175.17 175.90 2dlg s LEU 21 N -1.52 3.28 -0.22 2.11 2.96 -1.00 -4.90 118.68 119.39 2dlg s LEU 21 Ca 0.26 -1.23 -0.26 0.00 -0.22 0.00 0.00 54.13 52.68 2dlg s LEU 21 Cb -0.14 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 2dlg s LEU 21 CO 0.14 -0.16 0.90 0.20 -1.32 0.00 0.00 176.35 176.10 2dlg s ASN 22 N 1.16 6.95 -0.07 3.68 -0.87 -1.26 -3.04 114.94 121.49 2dlg s ASN 22 Ca -0.06 1.18 0.02 0.00 -1.57 0.00 0.00 52.86 52.43 2dlg s ASN 22 Cb -0.19 -2.47 0.01 0.00 -0.02 0.00 0.00 41.25 38.58 2dlg s ASN 22 CO -0.06 -0.53 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.04 2dlg s LEU 23 N 2.77 1.71 -0.55 0.60 1.43 -1.12 -5.04 118.68 118.48 2dlg s LEU 23 Ca 0.39 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2dlg s LEU 23 Cb -0.16 -0.92 0.14 0.00 0.03 0.00 0.00 46.19 45.28 2dlg s LEU 23 CO 0.08 0.05 0.33 -0.75 0.23 0.00 0.00 176.35 176.30 2dlg s LYS 24 N 0.63 2.24 -0.26 1.70 2.20 -1.26 -2.89 119.74 122.11 2dlg s LYS 24 Ca -0.15 -2.48 -0.02 0.00 -0.36 0.00 0.00 55.97 52.97 2dlg s LYS 24 Cb -0.16 -3.54 0.13 0.00 -1.51 0.00 0.00 37.83 32.75 2dlg s LYS 24 CO 0.04 -1.13 0.32 0.42 -0.36 0.00 0.00 175.35 174.64 2dlg s ILE 25 N -0.01 -0.47 0.03 5.43 1.01 -1.19 -5.04 121.20 120.96 2dlg s ILE 25 Ca 0.16 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 2dlg s ILE 25 Cb -0.22 -0.87 -0.15 0.00 0.01 0.00 0.00 42.46 41.22 2dlg s ILE 25 CO -0.03 -0.29 1.33 1.55 0.00 0.00 0.00 174.94 177.51 2dlg h PRO 26 N 8.24 0.30 -0.93 2.79 0.13 -1.95 -3.20 132.00 137.38 2dlg h PRO 26 Ca -0.15 -0.16 0.25 0.00 -0.87 0.00 0.00 66.00 65.07 2dlg h PRO 26 Cb 1.12 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2dlg h PRO 26 CO 0.30 0.70 0.40 0.93 -0.23 0.00 0.00 178.00 180.10 2dlg h GLU 27 N -0.09 0.32 -7.20 0.86 5.08 -1.96 -3.40 114.58 108.19 2dlg h GLU 27 Ca 0.02 -0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2dlg h GLU 27 Cb 0.64 -0.07 0.08 0.00 0.50 0.00 0.00 28.75 29.90 2dlg h GLU 27 CO 0.03 0.21 0.38 0.42 -1.00 0.00 0.00 179.01 179.05 2dlg s ILE 28 N -5.84 3.55 -0.02 3.13 -1.09 -1.21 -5.06 121.20 114.66 2dlg s ILE 28 Ca -0.11 0.73 0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2dlg s ILE 28 Cb 0.27 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 2dlg s ILE 28 CO 0.78 -0.44 -0.20 0.20 -1.23 0.00 0.00 174.94 174.06 2dlg s ASN 29 N -2.69 2.31 0.00 3.58 -0.87 -1.26 -4.99 114.94 111.01 2dlg s ASN 29 Ca 0.65 -0.36 0.04 0.00 -1.57 0.00 0.00 52.86 51.62 2dlg s ASN 29 Cb -0.18 -0.32 0.17 0.00 -0.02 0.00 0.00 41.25 40.91 2dlg s ASN 29 CO 0.39 0.23 1.05 -1.54 -2.57 0.00 0.00 177.10 174.67 2dlg n SER 30 N 2.67 0.00 0.00 -1.22 3.41 -1.26 -0.44 113.62 116.78 2dlg n SER 30 Ca -0.15 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 2dlg n SER 30 Cb 0.53 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2dlg n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dlg n SER 31 N -1.42 0.77 -0.30 4.04 2.88 -1.26 -4.18 113.62 114.15 2dlg n SER 31 Ca 0.01 -0.66 0.07 0.00 -1.33 0.00 0.00 58.87 56.97 2dlg n SER 31 Cb 0.04 0.89 0.12 0.00 -0.75 0.00 0.00 64.21 64.51 2dlg n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dlg n ASP 32 N -1.63 1.78 -4.81 -3.46 8.00 0.41 -5.04 116.55 111.80 2dlg n ASP 32 Ca 0.03 -2.99 -0.33 0.00 0.71 0.00 0.00 54.79 52.21 2dlg n ASP 32 Cb 0.36 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.31 3.17 -0.10 -1.24 -1.94 -0.87 -3.71 119.30 112.31 2dlg s MET 33 Ca 0.28 -0.42 -0.03 0.00 -1.71 0.00 0.00 55.69 53.81 2dlg s MET 33 Cb 0.25 -2.93 0.04 0.00 2.01 0.00 0.00 34.83 34.20 2dlg s MET 33 CO -0.00 0.67 0.08 -1.12 -0.01 0.00 0.00 175.02 174.63 2dlg s SER 34 N -1.68 1.60 -0.04 3.03 0.01 -1.16 -5.03 113.70 110.44 2dlg s SER 34 Ca 0.23 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.36 2dlg s SER 34 Cb -0.12 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 2dlg s SER 34 CO 0.13 -0.29 -0.22 0.00 0.41 0.00 0.00 173.24 173.28 2dlg s ALA 35 N 2.17 2.34 -0.06 1.44 0.00 -1.26 -2.31 121.76 124.09 2dlg s ALA 35 Ca 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2dlg s ALA 35 Cb -0.14 -0.72 0.04 0.00 0.00 0.00 0.00 23.12 22.30 2dlg s ALA 35 CO -0.06 0.52 0.11 -1.01 0.00 0.00 0.00 175.76 175.32 2dlg s HIS 36 N -0.57 -0.10 -0.73 0.00 3.76 -1.10 -2.41 115.29 114.15 2dlg s HIS 36 Ca 0.08 0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 55.19 2dlg s HIS 36 Cb -0.11 -0.20 0.10 0.00 1.11 0.00 0.00 32.58 33.48 2dlg s HIS 36 CO 0.00 -0.17 0.95 0.08 -0.85 0.00 0.00 174.74 174.75 2dlg s VAL 37 N 1.47 4.58 0.07 -0.90 1.01 -0.31 -2.45 120.40 123.87 2dlg s VAL 37 Ca -0.05 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2dlg s VAL 37 Cb -0.12 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 2dlg s VAL 37 CO -0.05 -1.39 0.67 -0.89 0.00 0.00 0.00 175.10 173.45 2dlg s THR 38 N 3.26 4.68 0.12 3.92 2.01 -1.00 -1.94 115.64 126.70 2dlg s THR 38 Ca 0.23 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2dlg s THR 38 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2dlg s THR 38 CO 0.03 0.47 0.27 -0.44 -0.69 0.00 0.00 174.62 174.26 2dlg s SER 39 N -0.64 6.36 0.00 3.53 0.01 0.30 -2.06 113.70 121.19 2dlg s SER 39 Ca 0.33 0.24 0.15 0.00 1.31 0.00 0.00 55.95 57.98 2dlg s SER 39 Cb -0.20 -1.94 0.85 0.00 0.21 0.00 0.00 66.02 64.94 2dlg s SER 39 CO 0.21 0.09 1.37 -0.81 0.41 0.00 0.00 173.24 174.51 2dlg n PRO 40 N -0.24 0.37 -0.01 12.44 -0.04 -1.24 -1.95 135.00 144.33 2dlg n PRO 40 Ca -0.06 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2dlg n PRO 40 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.12 0.43 0.00 3.54 3.41 -1.26 -4.97 113.62 113.64 2dlg n SER 41 Ca 0.10 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2dlg n SER 41 Cb 0.08 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 1.36 1.74 3.12 5.00 0.00 -0.82 -5.11 105.19 110.47 2dlg n GLY 42 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 2.90 0.01 1.61 3.52 -1.25 -4.92 118.95 120.69 2dlg s ARG 43 Ca 0.00 -0.89 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 2dlg s ARG 43 Cb 0.00 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.75 2dlg s ARG 43 CO 0.00 -0.26 -0.21 0.54 -0.81 0.00 0.00 175.30 174.56 2dlg s VAL 44 N 1.27 1.71 0.38 7.11 0.11 -1.26 0.11 120.40 129.83 2dlg s VAL 44 Ca 0.03 -1.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 2dlg s VAL 44 Cb -0.14 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 2dlg s VAL 44 CO -0.12 0.35 0.13 0.42 -3.33 0.00 0.00 175.10 172.56 2dlg s THR 45 N -0.65 0.61 -0.22 5.04 -4.23 -0.82 -4.95 115.64 110.43 2dlg s THR 45 Ca 0.08 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2dlg s THR 45 Cb -0.09 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 2dlg s THR 45 CO 0.00 0.00 0.15 -0.70 -0.54 0.00 0.00 174.62 173.54 2dlg s GLU 46 N -3.74 4.14 0.42 3.99 2.12 -1.26 -1.16 118.70 123.21 2dlg s GLU 46 Ca 0.28 -0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 2dlg s GLU 46 Cb 0.04 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2dlg s GLU 46 CO 0.16 0.19 0.65 0.00 -0.54 0.00 0.00 175.26 175.72 2dlg s ALA 47 N 0.67 3.65 -0.06 6.30 0.00 -1.01 -4.91 121.76 126.40 2dlg s ALA 47 Ca 0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2dlg s ALA 47 Cb -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2dlg s ALA 47 CO 0.01 -0.26 0.20 -2.00 0.00 0.00 0.00 175.76 173.71 2dlg s GLU 48 N -4.52 3.51 -0.78 0.00 2.12 -1.25 -4.75 118.70 113.03 2dlg s GLU 48 Ca 0.45 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2dlg s GLU 48 Cb -0.10 -3.15 0.19 0.00 0.26 0.00 0.00 34.13 31.33 2dlg s GLU 48 CO 0.39 0.72 0.62 0.42 -0.54 0.00 0.00 175.26 176.87 2dlg s ILE 49 N -1.15 3.78 0.15 -3.70 1.01 -1.26 -2.86 121.20 117.17 2dlg s ILE 49 Ca 0.21 -3.81 -0.31 0.00 0.00 0.00 0.00 60.65 56.73 2dlg s ILE 49 Cb -0.13 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2dlg s ILE 49 CO 0.10 -1.02 1.49 -0.69 0.00 0.00 0.00 174.94 174.82 2dlg s VAL 50 N -1.13 2.88 -0.53 2.92 1.01 -0.70 -4.79 120.40 120.07 2dlg s VAL 50 Ca 0.25 0.64 -0.27 0.00 0.00 0.00 0.00 61.98 62.60 2dlg s VAL 50 Cb -0.09 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2dlg s VAL 50 CO -0.11 0.05 1.81 -2.16 0.00 0.00 0.00 175.10 174.69 2dlg s PRO 51 N 0.99 2.87 -0.14 2.72 0.04 -1.26 -2.87 135.00 137.34 2dlg s PRO 51 Ca 0.67 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 2dlg s PRO 51 Cb -0.41 -4.31 -0.25 0.00 0.04 0.00 0.00 34.50 29.57 2dlg s PRO 51 CO 0.32 -2.44 0.52 0.52 0.04 0.00 0.00 177.00 175.97 2dlg h MET 52 N 14.13 0.10 0.00 4.56 2.86 -1.90 -3.50 114.93 131.19 2dlg h MET 52 Ca -0.28 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2dlg h MET 52 Cb 1.16 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2dlg h MET 52 CO 1.16 1.08 0.00 0.41 1.06 0.00 0.00 176.91 180.63 2dlg n GLY 53 N 1.60 3.10 0.47 8.32 0.00 -1.18 -4.97 105.19 112.53 2dlg n GLY 53 Ca -0.23 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.06 -0.86 1.61 1.79 -2.02 -3.27 116.57 112.75 2dlg h LYS 54 Ca 0.00 0.07 -0.57 0.00 -2.18 0.00 0.00 60.65 57.97 2dlg h LYS 54 Cb 0.00 0.24 -0.42 0.00 -1.58 0.00 0.00 32.23 30.48 2dlg h LYS 54 CO 0.00 -0.71 -0.64 0.27 -1.08 0.00 0.00 179.45 177.29 2dlg n ASN 55 N -5.58 5.18 -4.00 0.86 0.23 -1.26 -4.96 115.26 105.73 2dlg n ASN 55 Ca -0.14 -3.75 -0.26 0.00 -0.53 0.00 0.00 54.58 49.90 2dlg n ASN 55 Cb 0.46 -0.42 -0.17 0.00 -2.08 0.00 0.00 39.78 37.57 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 -3.41 1.95 0.01 0.53 0.01 -1.24 -3.19 113.70 108.36 2dlg s SER 56 Ca 0.52 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.55 2dlg s SER 56 Cb 0.42 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 2dlg s SER 56 CO 0.01 -0.00 -0.26 -1.00 0.41 0.00 0.00 173.24 172.40 2dlg s HIS 57 N 0.93 2.27 -0.13 2.43 3.76 -1.14 -3.10 115.29 120.31 2dlg s HIS 57 Ca -0.09 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2dlg s HIS 57 Cb -0.15 -1.42 0.02 0.00 1.11 0.00 0.00 32.58 32.14 2dlg s HIS 57 CO 0.00 0.04 -0.15 0.00 -0.85 0.00 0.00 174.74 173.78 2dlg s VAL 59 N 1.20 4.55 -0.23 0.00 1.01 -1.17 -1.72 120.40 124.05 2dlg s VAL 59 Ca -0.01 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.38 2dlg s VAL 59 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2dlg s VAL 59 CO -0.06 -0.63 0.37 -0.60 0.00 0.00 0.00 175.10 174.18 2dlg s ARG 60 N 1.47 4.12 0.18 2.72 3.52 -1.14 -2.37 118.95 127.46 2dlg s ARG 60 Ca 0.04 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.58 2dlg s ARG 60 Cb -0.25 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2dlg s ARG 60 CO 0.02 -0.10 0.48 -0.59 -0.81 0.00 0.00 175.30 174.30 2dlg s PHE 61 N 1.51 -0.07 -0.36 5.12 -0.12 -1.03 -3.87 117.98 119.17 2dlg s PHE 61 Ca 0.17 -0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 56.75 2dlg s PHE 61 Cb -0.15 0.32 0.08 0.00 -0.63 0.00 0.00 43.02 42.64 2dlg s PHE 61 CO 0.08 -0.86 0.11 0.08 -0.05 0.00 0.00 175.22 174.58 2dlg s VAL 62 N -3.87 3.22 0.97 -2.49 1.01 -1.26 -0.66 120.40 117.31 2dlg s VAL 62 Ca 0.09 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.23 2dlg s VAL 62 Cb -0.00 -3.02 0.24 0.00 0.00 0.00 0.00 36.38 33.60 2dlg s VAL 62 CO -0.04 -0.39 0.86 -0.81 0.00 0.00 0.00 175.10 174.72 2dlg n PRO 63 N 4.63 -2.70 -3.97 2.72 -0.04 -1.26 -4.95 135.00 129.43 2dlg n PRO 63 Ca -0.08 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 61.76 2dlg n PRO 63 Cb 0.43 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.95 2.30 -0.01 0.54 -1.52 -1.26 -4.03 119.66 110.73 2dlg s GLN 64 Ca 0.56 -1.86 -0.27 0.00 -1.95 0.00 0.00 55.36 51.84 2dlg s GLN 64 Cb -0.05 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 30.62 2dlg s GLN 64 CO 0.43 -0.29 0.87 -1.83 -0.25 0.00 0.00 175.29 174.21 2dlg s GLU 65 N -4.06 4.53 -1.45 2.91 -1.05 -1.26 -3.98 118.70 114.34 2dlg s GLU 65 Ca 0.39 1.21 -0.02 0.00 -0.15 0.00 0.00 54.97 56.40 2dlg s GLU 65 Cb 0.00 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 2dlg s GLU 65 CO 0.22 0.04 0.28 -1.33 0.95 0.00 0.00 175.26 175.42 2dlg n MET 66 N 3.65 -2.24 -3.93 -4.83 2.81 -1.25 -4.95 117.12 106.38 2dlg n MET 66 Ca 0.02 0.28 -0.17 0.00 -1.81 0.00 0.00 57.70 56.02 2dlg n MET 66 Cb 0.51 -4.09 -0.16 0.00 -0.71 0.00 0.00 33.22 28.76 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 -4.33 0.26 -0.38 3.03 0.00 -1.26 -4.99 107.32 99.65 2dlg s GLY 67 Ca 0.03 0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.67 2dlg s GLY 67 CO 0.93 0.63 0.74 0.14 0.00 0.00 0.00 173.10 175.55 2dlg s VAL 68 N 1.08 4.76 0.52 1.40 1.01 -1.26 -3.35 120.40 124.55 2dlg s VAL 68 Ca -0.09 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2dlg s VAL 68 Cb -0.13 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2dlg s VAL 68 CO -0.02 -0.47 0.63 -1.00 0.00 0.00 0.00 175.10 174.25 2dlg s HIS 69 N 3.03 1.91 -0.04 5.22 3.76 -1.11 -3.69 115.29 124.36 2dlg s HIS 69 Ca 0.29 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2dlg s HIS 69 Cb -0.13 -2.20 0.03 0.00 1.11 0.00 0.00 32.58 31.39 2dlg s HIS 69 CO 0.18 -0.76 0.05 0.99 -0.85 0.00 0.00 174.74 174.34 2dlg s THR 70 N -2.59 -0.06 -0.47 1.30 2.01 -0.88 -3.00 115.64 111.95 2dlg s THR 70 Ca 0.54 0.36 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 2dlg s THR 70 Cb -0.06 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.32 2dlg s THR 70 CO 0.34 0.17 0.74 -0.69 -0.69 0.00 0.00 174.62 174.48 2dlg s VAL 71 N 1.91 4.70 -0.52 3.82 1.01 0.27 -2.36 120.40 129.22 2dlg s VAL 71 Ca 0.02 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2dlg s VAL 71 Cb -0.12 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2dlg s VAL 71 CO -0.03 -0.76 0.67 -0.44 0.00 0.00 0.00 175.10 174.54 2dlg s SER 72 N 2.30 6.23 -0.39 3.32 0.01 -1.03 -0.67 113.70 123.47 2dlg s SER 72 Ca 0.25 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.53 2dlg s SER 72 Cb -0.14 -2.31 0.09 0.00 0.21 0.00 0.00 66.02 63.87 2dlg s SER 72 CO 0.19 -0.96 0.18 -0.69 0.41 0.00 0.00 173.24 172.37 2dlg s VAL 73 N 2.77 3.47 0.23 3.43 1.01 -1.25 -2.70 120.40 127.35 2dlg s VAL 73 Ca 0.16 -1.74 0.06 0.00 0.00 0.00 0.00 61.98 60.45 2dlg s VAL 73 Cb -0.19 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2dlg s VAL 73 CO 0.12 -0.52 0.24 -0.54 0.00 0.00 0.00 175.10 174.40 2dlg s LYS 74 N 1.24 3.12 -0.16 2.72 1.02 -0.98 -3.00 119.74 123.71 2dlg s LYS 74 Ca 0.04 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 2dlg s LYS 74 Cb -0.22 -2.71 0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2dlg s LYS 74 CO -0.02 0.43 0.06 -0.47 -0.92 0.00 0.00 175.35 174.43 2dlg s TYR 75 N -2.00 0.53 -1.30 3.18 5.04 -0.81 -2.98 117.35 119.01 2dlg s TYR 75 Ca 0.33 -0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 54.50 2dlg s TYR 75 Cb -0.09 -0.80 0.02 0.00 0.35 0.00 0.00 41.96 41.44 2dlg s TYR 75 CO 0.26 -0.50 0.20 0.54 -1.34 0.00 0.00 175.55 174.71 2dlg n ARG 76 N 5.19 -2.81 -2.46 4.97 1.74 -1.24 -1.50 116.66 120.55 2dlg n ARG 76 Ca -0.07 0.69 -0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2dlg n ARG 76 Cb 0.49 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.03 0.88 3.08 -0.13 0.00 -1.26 -5.06 105.19 101.67 2dlg n GLY 77 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.91 0.51 0.08 1.61 -0.21 -0.56 -5.13 119.66 111.05 2dlg s GLN 78 Ca 0.01 0.81 -0.36 0.00 0.02 0.00 0.00 55.36 55.84 2dlg s GLN 78 Cb -0.00 0.24 -0.16 0.00 1.00 0.00 0.00 33.01 34.09 2dlg s GLN 78 CO 0.01 -0.68 1.44 0.72 -2.12 0.00 0.00 175.29 174.66 2dlg n HIS 79 N 5.41 1.77 -1.51 0.91 8.25 -1.26 -1.92 115.22 126.87 2dlg n HIS 79 Ca -0.01 0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 57.66 2dlg n HIS 79 Cb 0.51 -2.40 0.09 0.00 1.12 0.00 0.00 29.99 29.30 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 0.84 3.25 0.01 1.59 -7.23 -1.16 -4.90 120.40 112.80 2dlg s VAL 80 Ca 0.84 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 61.11 2dlg s VAL 80 Cb -0.88 -3.11 -0.08 0.00 0.56 0.00 0.00 36.38 32.87 2dlg s VAL 80 CO 0.45 -0.53 1.93 -0.89 -0.31 0.00 0.00 175.10 175.75 2dlg s THR 81 N -3.10 3.11 0.00 5.32 2.01 -1.26 -2.20 115.64 119.52 2dlg s THR 81 Ca 0.60 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2dlg s THR 81 Cb -0.15 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2dlg s THR 81 CO 0.55 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 2dlg n GLY 82 N 4.52 3.10 3.80 4.40 0.00 -1.26 -5.06 105.19 114.69 2dlg n GLY 82 Ca 0.20 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 5.89 0.30 1.61 0.15 -0.93 -4.05 113.70 116.66 2dlg s SER 83 Ca 0.00 1.88 -0.29 0.00 0.70 0.00 0.00 55.95 58.24 2dlg s SER 83 Cb 0.00 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.67 2dlg s SER 83 CO 0.00 -1.10 1.23 -2.16 1.20 0.00 0.00 173.24 172.42 2dlg s PRO 84 N -3.82 4.46 -0.35 5.44 0.04 -1.26 -4.67 135.00 134.84 2dlg s PRO 84 Ca 0.65 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.52 2dlg s PRO 84 Cb -0.17 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2dlg s PRO 84 CO 0.32 -0.05 0.75 -0.06 0.04 0.00 0.00 177.00 178.00 2dlg s PHE 85 N -1.05 3.14 0.02 0.56 0.08 0.15 -4.84 117.98 116.04 2dlg s PHE 85 Ca 0.48 0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.99 2dlg s PHE 85 Cb -0.37 -3.29 -0.06 0.00 -0.57 0.00 0.00 43.02 38.73 2dlg s PHE 85 CO 0.48 -0.66 0.38 -1.14 -0.10 0.00 0.00 175.22 174.18 2dlg s GLN 86 N 2.98 3.83 -0.11 0.44 0.74 -1.26 -0.57 119.66 125.71 2dlg s GLN 86 Ca 0.30 0.29 -0.15 0.00 0.05 0.00 0.00 55.36 55.85 2dlg s GLN 86 Cb -0.14 -3.14 0.04 0.00 1.10 0.00 0.00 33.01 30.86 2dlg s GLN 86 CO 0.15 0.66 0.38 -0.59 -0.55 0.00 0.00 175.29 175.34 2dlg s PHE 87 N -1.18 -0.37 -0.06 1.67 -0.12 -1.16 -5.00 117.98 111.75 2dlg s PHE 87 Ca 0.26 0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 57.92 2dlg s PHE 87 Cb -0.15 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2dlg s PHE 87 CO 0.14 -0.27 0.18 0.99 -0.05 0.00 0.00 175.22 176.20 2dlg s THR 88 N -0.28 5.45 -0.05 -4.49 2.01 -1.26 -2.75 115.64 114.27 2dlg s THR 88 Ca -0.04 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2dlg s THR 88 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2dlg s THR 88 CO 0.02 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.84 2dlg s VAL 89 N -1.17 4.93 0.00 3.82 1.01 -1.21 -3.48 120.40 124.29 2dlg s VAL 89 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2dlg s VAL 89 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2dlg s VAL 89 CO 0.11 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2dlg n GLY 90 N 1.51 6.98 3.77 4.51 0.00 -1.17 -3.86 105.19 116.93 2dlg n GLY 90 Ca -0.15 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 1.21 3.91 0.00 1.61 0.04 -1.26 -3.40 135.00 137.11 2dlg s PRO 91 Ca 0.00 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2dlg s PRO 91 Cb 0.00 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2dlg s PRO 91 CO 0.00 -0.44 0.99 -0.11 0.04 0.00 0.00 177.00 177.48 2dlg n LEU 92 N -0.18 0.00 -2.67 -3.56 7.94 -1.26 -4.41 117.00 112.86 2dlg n LEU 92 Ca 0.06 0.99 -0.03 0.00 -1.11 0.00 0.00 56.01 55.91 2dlg n LEU 92 Cb 0.47 -0.49 0.11 0.00 0.53 0.00 0.00 43.42 44.04 2dlg n LEU 92 CO 0.50 -0.49 0.71 0.61 -1.11 0.00 0.00 177.39 177.61 2dlg n GLY 93 N -1.00 -1.35 3.41 -3.96 0.00 -1.26 -4.69 105.19 96.35 2dlg n GLY 93 Ca 0.00 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.51 2dlg n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dlg n GLU 94 N 0.47 -1.13 0.00 1.61 1.02 -1.26 -4.99 120.64 116.36 2dlg n GLU 94 Ca -0.05 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 2dlg n GLU 94 Cb 0.76 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2dlg n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dlg n GLY 95 N 1.44 1.22 0.00 0.62 0.00 -1.26 -5.13 105.19 102.08 2dlg n GLY 95 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.62 2.91 -0.02 0.00 -1.26 -5.13 105.19 102.31 2dlg n GLY 96 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2dlg n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 97 N 0.00 4.44 0.18 1.61 0.15 -1.26 -5.12 113.70 113.71 2dlg s SER 97 Ca 0.00 -1.90 -0.06 0.00 0.70 0.00 0.00 55.95 54.69 2dlg s SER 97 Cb 0.00 -1.32 -0.06 0.00 -1.71 0.00 0.00 66.02 62.93 2dlg s SER 97 CO 0.00 -0.38 0.44 -0.83 1.20 0.00 0.00 173.24 173.66 2dlg s GLY 98 N 1.19 2.20 -0.18 9.45 0.00 -1.26 -5.04 107.32 113.68 2dlg s GLY 98 Ca 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 2dlg s GLY 98 CO -0.14 -0.40 1.59 2.56 0.00 0.00 0.00 173.10 176.70 2dlg s PRO 99 N -2.80 3.91 -0.13 2.90 0.04 -1.26 -4.99 135.00 132.67 2dlg s PRO 99 Ca 0.43 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 2dlg s PRO 99 Cb -0.12 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2dlg s PRO 99 CO 0.24 -1.15 0.49 0.45 0.04 0.00 0.00 177.00 177.07 2dlg s SER 100 N 3.83 6.67 -0.21 6.66 0.15 -1.26 -5.06 113.70 124.49 2dlg s SER 100 Ca 0.70 0.80 -0.17 0.00 0.70 0.00 0.00 55.95 57.97 2dlg s SER 100 Cb -0.26 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2dlg s SER 100 CO 0.28 -0.03 0.47 -0.44 1.20 0.00 0.00 173.24 174.71 2dlg s SER 101 N 0.72 6.49 0.00 5.45 0.01 -1.26 -5.35 113.70 119.76 2dlg s SER 101 Ca 0.26 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2dlg s SER 101 Cb -0.15 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2dlg s SER 101 CO 0.10 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.21