#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wen s SER 2 N 0.00 -0.96 -0.13 1.61 0.15 -1.26 -5.14 113.70 107.97 1wen s SER 2 Ca 0.00 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1wen s SER 2 Cb 0.00 1.81 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 1wen s SER 2 CO 0.00 -0.29 -0.16 -0.94 1.20 0.00 0.00 173.24 173.04 1wen s SER 3 N 2.76 2.70 -0.30 5.45 1.04 -1.26 -5.09 113.70 119.00 1wen s SER 3 Ca 0.15 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 1wen s SER 3 Cb -0.13 -1.21 0.19 0.00 0.10 0.00 0.00 66.02 64.96 1wen s SER 3 CO -0.23 -0.00 0.71 -0.83 0.98 0.00 0.00 173.24 173.86 1wen s GLY 4 N 1.18 -0.89 -0.02 7.32 0.00 -1.26 -5.16 107.32 108.50 1wen s GLY 4 Ca -0.01 1.96 0.04 0.00 0.00 0.00 0.00 44.72 46.70 1wen s GLY 4 CO -0.06 3.53 -0.12 -0.45 0.00 0.00 0.00 173.10 176.00 1wen s SER 5 N 2.88 1.47 -0.05 1.64 0.15 -1.26 -5.14 113.70 113.40 1wen s SER 5 Ca 0.15 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1wen s SER 5 Cb -0.13 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1wen s SER 5 CO -0.20 0.13 0.09 -0.44 1.20 0.00 0.00 173.24 174.03 1wen s SER 6 N -0.15 0.61 -0.28 5.45 0.01 -1.26 -5.13 113.70 112.95 1wen s SER 6 Ca 0.02 0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.27 1wen s SER 6 Cb -0.06 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1wen s SER 6 CO -0.00 -0.21 0.55 -0.83 0.41 0.00 0.00 173.24 173.16 1wen s GLY 7 N 1.81 1.82 0.24 3.44 0.00 -1.26 -5.06 107.32 108.31 1wen s GLY 7 Ca -0.01 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.13 1wen s GLY 7 CO -0.04 1.30 0.16 -0.35 0.00 0.00 0.00 173.10 174.17 1wen s ASP 8 N 1.59 5.38 -0.19 1.64 -1.08 -1.26 -5.13 116.67 117.62 1wen s ASP 8 Ca 0.22 -0.29 -0.11 0.00 -0.52 0.00 0.00 52.55 51.85 1wen s ASP 8 Cb -0.15 -1.33 0.06 0.00 -1.46 0.00 0.00 42.92 40.04 1wen s ASP 8 CO 0.10 -0.02 0.46 -0.32 0.52 0.00 0.00 175.17 175.91 1wen s MET 9 N -3.72 0.46 -0.94 4.34 1.75 -1.26 -5.09 119.30 114.83 1wen s MET 9 Ca 0.32 0.84 -0.24 0.00 -1.25 0.00 0.00 55.69 55.36 1wen s MET 9 Cb -0.08 0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.57 1wen s MET 9 CO 0.24 -0.15 1.95 -1.25 -0.65 0.00 0.00 175.02 175.16 1wen s PRO 10 N 1.30 2.54 0.99 4.11 0.04 -1.26 -4.96 135.00 137.76 1wen s PRO 10 Ca -0.08 -0.41 -0.13 0.00 0.04 0.00 0.00 61.00 60.42 1wen s PRO 10 Cb -0.07 -5.09 0.11 0.00 0.04 0.00 0.00 34.50 29.49 1wen s PRO 10 CO -0.12 -3.46 0.64 1.33 0.04 0.00 0.00 177.00 175.42 1wen n VAL 11 N 7.87 0.00 -3.49 -0.36 0.24 -1.26 -5.04 118.33 116.29 1wen n VAL 11 Ca 0.41 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.44 1wen n VAL 11 Cb 0.47 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1wen n VAL 11 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1wen s ASP 12 N -2.22 -0.39 0.00 -1.34 1.47 -1.26 -5.01 116.67 107.91 1wen s ASP 12 Ca 0.61 0.01 0.11 0.00 1.18 0.00 0.00 52.55 54.46 1wen s ASP 12 Cb -0.21 0.41 0.67 0.00 -0.34 0.00 0.00 42.92 43.45 1wen s ASP 12 CO 0.64 -0.67 1.10 -0.81 0.68 0.00 0.00 175.17 176.12 1wen n PRO 13 N -0.25 0.49 -0.36 2.11 -0.04 -1.26 -4.01 135.00 131.68 1wen n PRO 13 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1wen n PRO 13 Cb 0.62 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.78 1wen n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wen n ASN 14 N -0.86 -0.56 -4.26 3.54 5.15 -1.26 -4.55 115.26 112.46 1wen n ASN 14 Ca 0.08 1.63 -0.16 0.00 -0.60 0.00 0.00 54.58 55.53 1wen n ASN 14 Cb 0.04 -0.39 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 1wen n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wen s GLU 15 N -5.93 1.09 0.41 1.20 0.41 -1.26 -5.14 118.70 109.48 1wen s GLU 15 Ca -0.13 -1.41 -0.25 0.00 -0.41 0.00 0.00 54.97 52.77 1wen s GLU 15 Cb 0.20 -0.78 -0.08 0.00 -1.78 0.00 0.00 34.13 31.69 1wen s GLU 15 CO 0.68 0.12 1.19 -1.25 -0.49 0.00 0.00 175.26 175.50 1wen s PRO 16 N -3.42 4.01 -0.14 0.39 0.04 -1.26 -4.79 135.00 129.84 1wen s PRO 16 Ca 0.15 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1wen s PRO 16 Cb -0.00 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1wen s PRO 16 CO 0.02 -0.37 0.01 0.95 0.04 0.00 0.00 177.00 177.66 1wen s THR 17 N -1.41 4.38 0.01 1.26 -4.23 -1.26 -3.93 115.64 110.46 1wen s THR 17 Ca 0.58 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1wen s THR 17 Cb -0.31 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 1wen s THR 17 CO 0.39 0.53 -0.01 -1.22 -0.54 0.00 0.00 174.62 173.78 1wen n TYR 18 N 2.97 0.00 -0.99 3.99 4.02 -1.20 -4.90 117.16 121.05 1wen n TYR 18 Ca -0.18 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.36 1wen n TYR 18 Cb 0.53 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.88 1wen n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wen h LEU 20 N -0.99 0.69 -0.44 0.00 4.07 -1.97 -0.45 115.31 116.23 1wen h LEU 20 Ca -0.43 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1wen h LEU 20 Cb 1.29 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1wen h LEU 20 CO 0.22 0.49 0.10 0.00 -1.08 0.00 0.00 178.44 178.18 1wen n HIS 22 N -1.69 -1.91 -4.09 0.00 8.25 -0.18 -5.04 115.22 110.56 1wen n HIS 22 Ca -0.00 0.75 -0.23 0.00 -0.26 0.00 0.00 57.72 57.97 1wen n HIS 22 Cb 0.11 -4.25 -0.06 0.00 1.12 0.00 0.00 29.99 26.91 1wen n HIS 22 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1wen s GLN 23 N -4.70 2.37 0.60 -0.41 -1.52 -1.26 -4.88 119.66 109.86 1wen s GLN 23 Ca 0.17 -1.56 -0.10 0.00 -1.95 0.00 0.00 55.36 51.92 1wen s GLN 23 Cb -0.02 -2.17 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 1wen s GLN 23 CO 0.61 0.10 0.99 0.14 -0.25 0.00 0.00 175.29 176.88 1wen s VAL 24 N -2.43 4.67 -0.62 1.09 -7.23 -1.26 -3.27 120.40 111.35 1wen s VAL 24 Ca 0.38 0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 61.00 1wen s VAL 24 Cb -0.02 -3.85 -0.12 0.00 0.56 0.00 0.00 36.38 32.95 1wen s VAL 24 CO 0.23 -1.07 2.47 -0.24 -0.31 0.00 0.00 175.10 176.18 1wen n SER 25 N -2.68 1.67 -4.02 4.85 2.88 -1.25 -4.87 113.62 110.20 1wen n SER 25 Ca 0.05 -0.14 -0.10 0.00 -1.33 0.00 0.00 58.87 57.35 1wen n SER 25 Cb 0.54 -1.33 -0.07 0.00 -0.75 0.00 0.00 64.21 62.61 1wen n SER 25 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1wen s TYR 26 N 10.40 0.53 0.04 0.66 -0.85 -1.26 -5.13 117.35 121.75 1wen s TYR 26 Ca 1.12 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 56.80 1wen s TYR 26 Cb -0.62 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 41.64 1wen s TYR 26 CO 0.37 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 174.02 1wen n GLY 27 N -0.28 -0.47 3.74 5.49 0.00 -1.26 -4.56 105.19 107.84 1wen n GLY 27 Ca -0.04 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1wen n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wen s GLU 28 N -0.50 4.35 0.18 1.61 2.02 -1.26 -4.96 118.70 120.14 1wen s GLU 28 Ca 0.00 2.12 -0.00 0.00 0.02 0.00 0.00 54.97 57.11 1wen s GLU 28 Cb 0.00 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1wen s GLU 28 CO 0.00 -0.32 0.08 -1.64 0.02 0.00 0.00 175.26 173.40 1wen s MET 29 N -0.02 1.14 0.20 1.61 -1.94 -1.26 -0.99 119.30 118.03 1wen s MET 29 Ca 0.58 -1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 52.98 1wen s MET 29 Cb -0.38 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1wen s MET 29 CO 0.38 -0.29 0.10 0.96 -0.01 0.00 0.00 175.02 176.16 1wen s ILE 30 N -3.97 0.20 -0.35 2.53 -0.00 -1.18 -4.95 121.20 113.49 1wen s ILE 30 Ca 0.32 -1.98 0.02 0.00 -0.00 0.00 0.00 60.65 59.01 1wen s ILE 30 Cb 0.07 -2.42 0.10 0.00 -0.00 0.00 0.00 42.46 40.21 1wen s ILE 30 CO 0.08 -0.12 0.08 -0.83 -0.00 0.00 0.00 174.94 174.15 1wen s GLY 31 N -3.18 1.94 0.13 6.27 0.00 -1.26 -3.60 107.32 107.62 1wen s GLY 31 Ca 0.35 -2.51 -0.33 0.00 0.00 0.00 0.00 44.72 42.23 1wen s GLY 31 CO 0.10 0.95 0.75 0.00 0.00 0.00 0.00 173.10 174.89 1wen h ASP 33 N 1.81 0.94 -1.79 0.00 1.82 -1.92 -3.43 116.42 113.85 1wen h ASP 33 Ca -0.37 -0.17 -0.66 0.00 -0.39 0.00 0.00 57.03 55.44 1wen h ASP 33 Cb 1.43 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 41.21 1wen h ASP 33 CO 0.60 0.86 1.08 -3.20 -1.61 0.00 0.00 179.24 176.97 1wen n ASN 34 N -4.39 3.00 0.20 2.28 5.15 -1.26 -4.84 115.26 115.41 1wen n ASN 34 Ca 0.05 0.93 0.06 0.00 -0.60 0.00 0.00 54.58 55.03 1wen n ASN 34 Cb 0.17 -1.29 0.42 0.00 -0.53 0.00 0.00 39.78 38.55 1wen n ASN 34 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wen h PRO 35 N 9.08 0.00 -0.07 1.20 0.13 -2.00 -3.10 132.00 137.23 1wen h PRO 35 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 1wen h PRO 35 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1wen h PRO 35 CO 0.96 0.32 -0.79 -0.44 -0.23 0.00 0.00 178.00 177.82 1wen h ASP 36 N 0.00 0.82 -0.77 1.44 5.19 -1.96 -3.45 116.42 117.68 1wen h ASP 36 Ca -0.00 -0.69 -0.74 0.00 -0.62 0.00 0.00 57.03 54.98 1wen h ASP 36 Cb 0.73 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1wen h ASP 36 CO 0.04 1.38 0.64 0.00 -3.12 0.00 0.00 179.24 178.19 1wen h SER 38 N 4.62 0.38 0.16 0.00 4.64 -1.90 -3.33 113.55 118.12 1wen h SER 38 Ca -0.35 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.48 1wen h SER 38 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wen h SER 38 CO 0.85 0.79 -0.08 0.40 -0.87 0.00 0.00 176.83 177.92 1wen h ILE 39 N -0.02 0.89 -5.66 0.95 2.04 -1.90 -3.46 117.51 110.36 1wen h ILE 39 Ca 0.02 -1.12 -0.35 0.00 1.00 0.00 0.00 64.86 64.42 1wen h ILE 39 Cb 0.69 1.48 -0.22 0.00 -0.74 0.00 0.00 36.82 38.04 1wen h ILE 39 CO 0.04 0.23 -0.50 -1.84 0.00 0.00 0.00 178.15 176.07 1wen n GLU 40 N -4.93 -1.30 -3.37 2.37 0.28 -1.25 -4.81 120.64 107.64 1wen n GLU 40 Ca -0.08 0.08 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1wen n GLU 40 Cb 0.27 -3.64 -0.03 0.00 1.43 0.00 0.00 31.44 29.47 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1wen s TRP 41 N -2.41 -1.11 0.35 -1.84 0.52 -1.25 -2.87 118.94 110.32 1wen s TRP 41 Ca 0.46 1.58 0.05 0.00 0.02 0.00 0.00 56.10 58.22 1wen s TRP 41 Cb -0.27 0.54 -0.03 0.00 -1.15 0.00 0.00 33.47 32.56 1wen s TRP 41 CO 0.57 -0.58 0.21 -0.06 0.02 0.00 0.00 176.95 177.11 1wen s PHE 42 N 2.77 1.72 -0.13 -1.98 0.40 -1.24 -2.15 117.98 117.37 1wen s PHE 42 Ca 0.03 -1.50 -0.04 0.00 -0.60 0.00 0.00 56.93 54.82 1wen s PHE 42 Cb -0.11 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 1wen s PHE 42 CO -0.18 -0.64 0.01 -1.01 0.70 0.00 0.00 175.22 174.10 1wen s HIS 43 N -3.42 3.15 0.29 0.36 3.76 -1.26 -3.08 115.29 115.09 1wen s HIS 43 Ca 0.34 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.31 1wen s HIS 43 Cb 0.03 -1.91 0.73 0.00 1.11 0.00 0.00 32.58 32.53 1wen s HIS 43 CO 0.21 0.25 1.70 0.74 -0.85 0.00 0.00 174.74 176.79 1wen h PHE 44 N 5.99 0.66 -0.23 1.40 -1.00 -1.40 0.19 116.94 122.56 1wen h PHE 44 Ca -0.42 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.37 1wen h PHE 44 Cb 1.19 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1wen h PHE 44 CO 0.59 -0.04 0.00 0.00 -1.61 0.00 0.00 178.31 177.25 1wen h ALA 45 N 1.71 0.31 0.01 2.45 0.00 -1.83 1.01 119.26 122.91 1wen h ALA 45 Ca 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wen h ALA 45 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wen h ALA 45 CO -0.52 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 178.75 1wen h VAL 47 N -0.02 1.50 -0.13 0.00 -1.51 -0.72 -3.48 116.25 111.90 1wen h VAL 47 Ca -0.00 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 1wen h VAL 47 Cb 0.02 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1wen h VAL 47 CO 0.00 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 1wen n GLY 48 N 0.49 1.25 3.64 5.19 0.00 0.29 -5.05 105.19 111.00 1wen n GLY 48 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wen n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wen s LEU 49 N -0.13 4.08 0.05 0.99 1.43 0.18 -4.94 118.68 120.35 1wen s LEU 49 Ca 0.00 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 1wen s LEU 49 Cb 0.00 -3.23 -0.16 0.00 0.03 0.00 0.00 46.19 42.83 1wen s LEU 49 CO 0.00 -0.55 1.27 0.74 0.23 0.00 0.00 176.35 178.03 1wen h THR 50 N 5.46 1.35 -3.82 5.49 2.02 -1.97 -3.43 112.91 118.01 1wen h THR 50 Ca -0.23 -1.75 -0.14 0.00 0.77 0.00 0.00 66.41 65.06 1wen h THR 50 Cb 1.09 2.08 -0.19 0.00 -1.74 0.00 0.00 68.15 69.39 1wen h THR 50 CO 0.89 0.53 -0.59 0.42 0.37 0.00 0.00 175.52 177.14 1wen s THR 51 N -3.81 0.12 -0.28 3.16 -4.23 -1.26 -5.11 115.64 104.23 1wen s THR 51 Ca -0.13 -0.99 -0.41 0.00 -1.18 0.00 0.00 61.69 58.98 1wen s THR 51 Cb 0.06 -0.62 -0.17 0.00 1.34 0.00 0.00 72.50 73.12 1wen s THR 51 CO 0.82 -0.54 1.66 1.17 -0.54 0.00 0.00 174.62 177.19 1wen n LYS 52 N 1.16 0.91 -2.26 3.99 4.81 -1.26 -4.89 118.16 120.63 1wen n LYS 52 Ca -0.21 0.33 -0.37 0.00 -0.87 0.00 0.00 58.31 57.19 1wen n LYS 52 Cb 0.57 -1.98 -0.01 0.00 0.02 0.00 0.00 35.03 33.63 1wen n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wen s PRO 53 N 3.07 3.74 0.48 1.64 0.04 -1.26 -5.06 135.00 137.65 1wen s PRO 53 Ca 0.98 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.87 1wen s PRO 53 Cb -1.14 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 31.04 1wen s PRO 53 CO 0.67 -0.57 0.59 1.03 0.04 0.00 0.00 177.00 178.76 1wen s ARG 54 N -2.73 2.55 5.11 4.56 0.52 -1.26 -4.91 118.95 122.79 1wen s ARG 54 Ca 0.64 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1wen s ARG 54 Cb -0.28 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1wen s ARG 54 CO 0.34 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1wen n GLY 55 N -1.91 1.30 3.07 -3.53 0.00 -1.26 -4.41 105.19 98.45 1wen n GLY 55 Ca 0.09 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 1wen n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wen s LYS 56 N 0.00 2.02 -0.22 1.61 -2.85 -1.26 -5.11 119.74 113.92 1wen s LYS 56 Ca 0.00 -0.53 -0.00 0.00 -1.00 0.00 0.00 55.97 54.44 1wen s LYS 56 Cb 0.00 -1.62 0.02 0.00 -2.06 0.00 0.00 37.83 34.18 1wen s LYS 56 CO 0.00 0.07 -0.12 -0.46 0.10 0.00 0.00 175.35 174.94 1wen s TRP 57 N 0.56 2.97 -0.25 1.78 -0.00 -1.26 -5.05 118.94 117.68 1wen s TRP 57 Ca -0.15 -1.61 -0.09 0.00 -0.00 0.00 0.00 56.10 54.25 1wen s TRP 57 Cb -0.16 -1.99 -0.04 0.00 -0.00 0.00 0.00 33.47 31.27 1wen s TRP 57 CO 0.05 -0.76 0.13 -0.06 -0.00 0.00 0.00 176.95 176.31 1wen s PHE 58 N 1.30 3.19 0.73 5.86 0.08 -1.26 -3.00 117.98 124.88 1wen s PHE 58 Ca 0.02 -0.06 -0.16 0.00 0.12 0.00 0.00 56.93 56.85 1wen s PHE 58 Cb -0.15 -2.27 -0.06 0.00 -0.57 0.00 0.00 43.02 39.97 1wen s PHE 58 CO -0.08 -0.15 0.34 0.00 -0.10 0.00 0.00 175.22 175.23 1wen n PRO 60 N -0.25 0.49 -0.06 0.00 -0.04 -1.26 -2.20 135.00 131.69 1wen n PRO 60 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1wen n PRO 60 Cb 0.50 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 1wen n PRO 60 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wen n ARG 61 N -0.65 1.46 -0.04 0.54 1.74 -1.26 -4.20 116.66 114.25 1wen n ARG 61 Ca 0.03 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.87 1wen n ARG 61 Cb 0.02 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wen h SER 63 N -0.43 0.91 -0.58 0.00 0.87 -1.74 -2.13 113.55 110.45 1wen h SER 63 Ca -0.37 -0.02 -0.39 0.00 -1.23 0.00 0.00 61.79 59.78 1wen h SER 63 Cb 1.69 -0.22 -0.17 0.00 -0.44 0.00 0.00 62.40 63.26 1wen h SER 63 CO -0.04 0.65 0.50 1.67 -0.53 0.00 0.00 176.83 179.08 1wen n GLN 64 N -4.54 1.96 -0.67 2.24 7.27 -1.26 -4.65 117.38 117.74 1wen n GLN 64 Ca 0.09 -1.90 -0.05 0.00 0.07 0.00 0.00 57.00 55.20 1wen n GLN 64 Cb 0.04 -1.75 -0.03 0.00 2.41 0.00 0.00 30.24 30.91 1wen n GLN 64 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1wen n GLU 65 N 0.04 1.32 -0.87 3.69 0.28 -0.80 -4.96 120.64 119.34 1wen n GLU 65 Ca 0.37 -0.44 -0.28 0.00 -0.16 0.00 0.00 57.16 56.65 1wen n GLU 65 Cb 0.65 -1.29 0.01 0.00 1.43 0.00 0.00 31.44 32.24 1wen n GLU 65 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wen n SER 66 N 1.53 -2.99 0.00 -1.84 7.64 -1.26 -4.95 113.62 111.75 1wen n SER 66 Ca 0.13 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1wen n SER 66 Cb 0.59 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1wen n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wen n GLY 67 N 1.95 -2.08 0.00 0.23 0.00 -1.26 -4.43 105.19 99.60 1wen n GLY 67 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1wen n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wen n PRO 68 N 0.00 0.49 -1.89 1.61 -0.04 -1.26 -4.70 135.00 129.20 1wen n PRO 68 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1wen n PRO 68 Cb 0.00 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1wen n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wen s SER 69 N -1.73 4.94 0.57 3.54 0.15 -1.26 -4.93 113.70 114.97 1wen s SER 69 Ca 0.10 0.32 -0.20 0.00 0.70 0.00 0.00 55.95 56.88 1wen s SER 69 Cb 0.05 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1wen s SER 69 CO 0.08 -2.68 1.04 -0.24 1.20 0.00 0.00 173.24 172.64 1wen n SER 70 N 14.20 1.16 -0.80 5.45 2.88 -1.26 -4.88 113.62 130.37 1wen n SER 70 Ca 0.30 0.86 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 1wen n SER 70 Cb 0.51 -1.42 0.24 0.00 -0.75 0.00 0.00 64.21 62.80 1wen n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42