#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 5.63 -0.34 1.61 0.01 -1.26 -5.02 113.70 114.33 1wen s SER 2 Ca 0.00 -3.71 -0.01 0.00 1.31 0.00 0.00 55.95 53.55 1wen s SER 2 Cb 0.00 -1.83 0.08 0.00 0.21 0.00 0.00 66.02 64.48 1wen s SER 2 CO 0.00 -0.17 0.07 -0.44 0.41 0.00 0.00 173.24 173.11 1wen s SER 3 N -0.45 4.96 0.00 2.44 0.01 -1.26 -5.05 113.70 114.35 1wen s SER 3 Ca 0.26 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1wen s SER 3 Cb -0.07 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1wen s SER 3 CO -0.13 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1wen n GLY 4 N 4.53 2.50 3.61 3.44 0.00 -1.26 -5.12 105.19 112.89 1wen n GLY 4 Ca -0.06 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1wen n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wen s SER 5 N 0.00 6.72 0.00 1.61 0.01 -1.26 -4.83 113.70 115.96 1wen s SER 5 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1wen s SER 5 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1wen s SER 5 CO 0.00 -0.89 0.00 -1.54 0.41 0.00 0.00 173.24 171.22 1wen n SER 6 N 6.88 1.63 0.00 2.44 3.41 -1.26 -5.04 113.62 121.68 1wen n SER 6 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1wen n SER 6 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wen n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wen n GLY 7 N 3.07 -1.93 2.96 5.00 0.00 -1.26 -5.13 105.19 107.89 1wen n GLY 7 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 46.02 46.62 1wen n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wen s ASP 8 N 0.00 4.39 0.62 1.61 1.11 -1.26 -5.11 116.67 118.03 1wen s ASP 8 Ca 0.00 -1.75 -0.18 0.00 0.18 0.00 0.00 52.55 50.81 1wen s ASP 8 Cb 0.00 -1.38 -0.14 0.00 1.07 0.00 0.00 42.92 42.47 1wen s ASP 8 CO 0.00 -0.33 -0.17 1.15 1.18 0.00 0.00 175.17 177.00 1wen n MET 9 N 4.47 0.05 -2.05 8.23 0.00 -1.26 -4.75 117.12 121.82 1wen n MET 9 Ca -0.03 0.02 -0.39 0.00 0.00 0.00 0.00 57.70 57.30 1wen n MET 9 Cb 0.42 -1.10 -0.03 0.00 0.00 0.00 0.00 33.22 32.51 1wen n MET 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wen s PRO 10 N -1.38 2.77 1.29 3.17 0.04 -1.26 -4.98 135.00 134.65 1wen s PRO 10 Ca 0.55 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 1wen s PRO 10 Cb -0.42 -4.34 0.30 0.00 0.04 0.00 0.00 34.50 30.07 1wen s PRO 10 CO 0.68 -2.55 0.69 1.33 0.04 0.00 0.00 177.00 177.19 1wen n VAL 11 N 7.24 0.00 -3.58 -0.36 0.24 -1.26 -5.06 118.33 115.55 1wen n VAL 11 Ca 0.21 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.34 62.38 1wen n VAL 11 Cb 0.51 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 32.04 1wen n VAL 11 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wen s ASP 12 N -2.62 -0.22 0.51 -1.34 1.01 -1.26 -5.03 116.67 107.72 1wen s ASP 12 Ca 0.57 0.07 0.30 0.00 0.71 0.00 0.00 52.55 54.19 1wen s ASP 12 Cb -0.11 0.21 1.24 0.00 1.01 0.00 0.00 42.92 45.27 1wen s ASP 12 CO 0.50 -0.32 1.95 1.55 0.21 0.00 0.00 175.17 179.05 1wen h PRO 13 N 2.10 0.00 -0.69 8.23 0.13 -1.97 -3.12 132.00 136.68 1wen h PRO 13 Ca -0.13 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1wen h PRO 13 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1wen h PRO 13 CO 0.26 0.10 0.39 -0.91 -0.23 0.00 0.00 178.00 177.61 1wen h ASN 14 N 0.00 0.57 -4.25 1.44 2.35 -1.99 -3.43 115.58 110.27 1wen h ASN 14 Ca -0.00 0.03 -0.52 0.00 -0.55 0.00 0.00 56.30 55.26 1wen h ASN 14 Cb 0.56 -0.08 0.18 0.00 0.05 0.00 0.00 38.32 39.04 1wen h ASN 14 CO 0.01 0.37 0.24 -1.61 -1.65 0.00 0.00 177.43 174.79 1wen s GLU 15 N -6.09 1.22 0.30 0.81 0.41 -1.18 -4.96 118.70 109.21 1wen s GLU 15 Ca -0.13 1.45 -0.29 0.00 -0.41 0.00 0.00 54.97 55.59 1wen s GLU 15 Cb 0.16 -1.76 -0.10 0.00 -1.78 0.00 0.00 34.13 30.66 1wen s GLU 15 CO 0.76 -2.46 1.24 -1.25 -0.49 0.00 0.00 175.26 173.06 1wen s PRO 16 N -4.70 4.46 0.24 0.39 0.04 -1.26 -4.89 135.00 129.27 1wen s PRO 16 Ca 0.66 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.86 1wen s PRO 16 Cb -0.22 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1wen s PRO 16 CO 0.58 -0.06 -0.13 0.95 0.04 0.00 0.00 177.00 178.38 1wen s THR 17 N -1.02 2.89 0.00 1.26 -4.23 -1.26 -4.18 115.64 109.11 1wen s THR 17 Ca 0.48 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1wen s THR 17 Cb -0.37 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1wen s THR 17 CO 0.47 -0.27 0.00 -1.22 -0.54 0.00 0.00 174.62 173.07 1wen n TYR 18 N -0.36 0.00 -0.86 3.99 4.02 -1.22 -4.96 117.16 117.76 1wen n TYR 18 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.48 1wen n TYR 18 Cb 0.58 0.15 0.12 0.00 -0.02 0.00 0.00 39.34 40.17 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 -1.40 0.39 -1.54 0.00 4.07 -1.98 0.16 115.31 115.00 1wen h LEU 20 Ca -0.44 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.59 1wen h LEU 20 Cb 1.29 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 1wen h LEU 20 CO 0.37 0.16 0.53 0.00 -1.08 0.00 0.00 178.44 178.42 1wen n HIS 22 N -2.93 -2.07 -4.65 0.00 8.25 0.55 -5.02 115.22 109.35 1wen n HIS 22 Ca 0.01 0.85 -0.30 0.00 -0.26 0.00 0.00 57.72 58.02 1wen n HIS 22 Cb 0.59 -4.70 -0.08 0.00 1.12 0.00 0.00 29.99 26.93 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 -5.41 2.08 0.84 -0.41 -1.52 -1.26 -4.91 119.66 109.07 1wen s GLN 23 Ca 0.11 -2.30 -0.12 0.00 -1.95 0.00 0.00 55.36 51.10 1wen s GLN 23 Cb -0.05 -1.10 0.09 0.00 -0.22 0.00 0.00 33.01 31.74 1wen s GLN 23 CO 0.65 -0.42 1.11 0.14 -0.25 0.00 0.00 175.29 176.52 1wen s VAL 24 N -3.03 2.67 -0.60 1.09 -7.23 -1.26 -3.43 120.40 108.61 1wen s VAL 24 Ca 0.14 0.22 -0.26 0.00 -1.81 0.00 0.00 61.98 60.27 1wen s VAL 24 Cb 0.02 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1wen s VAL 24 CO 0.08 -0.28 2.07 -0.55 -0.31 0.00 0.00 175.10 176.11 1wen s SER 25 N -3.98 4.93 0.22 4.85 0.15 -1.26 -4.92 113.70 113.69 1wen s SER 25 Ca 0.62 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.77 1wen s SER 25 Cb -0.14 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1wen s SER 25 CO 0.54 -2.63 0.08 -0.72 1.20 0.00 0.00 173.24 171.70 1wen s TYR 26 N 10.41 1.36 0.21 3.44 -0.85 -1.26 -5.11 117.35 125.54 1wen s TYR 26 Ca 0.78 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1wen s TYR 26 Cb -0.14 -0.77 0.00 0.00 0.38 0.00 0.00 41.96 41.43 1wen s TYR 26 CO 0.20 -0.37 0.00 0.41 -1.52 0.00 0.00 175.55 174.27 1wen n GLY 27 N -0.36 -1.17 3.75 5.49 0.00 -1.26 -4.63 105.19 107.01 1wen n GLY 27 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1wen n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wen n GLU 28 N -2.80 2.71 -4.17 1.61 1.02 -1.26 -4.92 120.64 112.83 1wen n GLU 28 Ca -0.00 0.96 -0.10 0.00 -0.02 0.00 0.00 57.16 58.00 1wen n GLU 28 Cb 0.59 -2.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.17 1wen n GLU 28 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wen s MET 29 N -0.49 0.87 0.31 3.49 -1.94 -1.26 -1.21 119.30 119.07 1wen s MET 29 Ca 0.64 -1.38 0.03 0.00 -1.71 0.00 0.00 55.69 53.27 1wen s MET 29 Cb -0.50 -0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.26 1wen s MET 29 CO 0.48 -0.11 0.11 0.96 -0.01 0.00 0.00 175.02 176.45 1wen s ILE 30 N -3.78 0.62 -0.32 2.53 -0.00 -1.20 -4.96 121.20 114.09 1wen s ILE 30 Ca 0.16 -2.00 0.04 0.00 -0.00 0.00 0.00 60.65 58.85 1wen s ILE 30 Cb 0.06 -2.59 0.09 0.00 -0.00 0.00 0.00 42.46 40.03 1wen s ILE 30 CO -0.02 0.00 0.02 -0.83 -0.00 0.00 0.00 174.94 174.10 1wen s GLY 31 N -3.41 1.87 0.10 6.27 0.00 -1.26 -3.58 107.32 107.31 1wen s GLY 31 Ca 0.35 -2.37 -0.29 0.00 0.00 0.00 0.00 44.72 42.41 1wen s GLY 31 CO 0.15 0.88 0.66 0.00 0.00 0.00 0.00 173.10 174.79 1wen h ASP 33 N 1.61 0.93 -1.98 0.00 3.58 -0.77 -3.42 116.42 116.38 1wen h ASP 33 Ca -0.33 -0.13 -0.61 0.00 0.42 0.00 0.00 57.03 56.38 1wen h ASP 33 Cb 1.26 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 42.09 1wen h ASP 33 CO 0.53 0.80 1.17 -3.20 -2.88 0.00 0.00 179.24 175.66 1wen n ASN 34 N -4.43 3.40 0.26 2.28 5.15 -1.26 -4.84 115.26 115.81 1wen n ASN 34 Ca 0.06 0.86 0.15 0.00 -0.60 0.00 0.00 54.58 55.05 1wen n ASN 34 Cb 0.12 -1.39 0.64 0.00 -0.53 0.00 0.00 39.78 38.62 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 10.06 0.00 0.06 1.20 0.13 -2.00 -2.96 132.00 138.50 1wen h PRO 35 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1wen h PRO 35 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wen h PRO 35 CO 0.96 0.09 -1.09 0.22 -0.23 0.00 0.00 178.00 177.94 1wen h ASP 36 N 0.00 0.55 -0.49 1.44 1.82 -1.96 -3.45 116.42 114.33 1wen h ASP 36 Ca -0.00 -0.49 -0.76 0.00 -0.39 0.00 0.00 57.03 55.38 1wen h ASP 36 Cb 0.55 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1wen h ASP 36 CO 0.01 1.33 1.21 0.00 -1.61 0.00 0.00 179.24 180.18 1wen h SER 38 N 8.92 0.17 0.48 0.00 4.64 -1.90 -3.29 113.55 122.57 1wen h SER 38 Ca -0.21 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1wen h SER 38 Cb 1.38 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1wen h SER 38 CO 1.05 0.21 -0.23 0.40 -0.87 0.00 0.00 176.83 177.39 1wen h ILE 39 N 0.12 0.00 -6.55 0.95 2.04 -1.93 -3.47 117.51 108.68 1wen h ILE 39 Ca 0.05 -0.27 -0.52 0.00 1.00 0.00 0.00 64.86 65.12 1wen h ILE 39 Cb 0.08 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.04 1wen h ILE 39 CO -0.01 0.00 -0.81 1.21 0.00 0.00 0.00 178.15 178.54 1wen n GLU 40 N -4.48 -4.05 -3.53 2.37 2.13 -1.24 -4.93 120.64 106.91 1wen n GLU 40 Ca -0.08 0.46 -0.01 0.00 0.66 0.00 0.00 57.16 58.19 1wen n GLU 40 Cb 0.25 -5.16 -0.05 0.00 0.27 0.00 0.00 31.44 26.75 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1wen s TRP 41 N -3.39 -0.75 0.31 4.31 0.52 -1.25 -3.60 118.94 115.08 1wen s TRP 41 Ca 0.60 1.37 0.01 0.00 0.02 0.00 0.00 56.10 58.10 1wen s TRP 41 Cb -0.32 0.45 -0.02 0.00 -1.15 0.00 0.00 33.47 32.43 1wen s TRP 41 CO 0.89 -0.37 0.33 -0.06 0.02 0.00 0.00 176.95 177.76 1wen s PHE 42 N 2.06 1.31 -0.16 -1.98 0.40 -1.24 -2.91 117.98 115.46 1wen s PHE 42 Ca -0.06 -1.42 -0.08 0.00 -0.60 0.00 0.00 56.93 54.77 1wen s PHE 42 Cb -0.06 -0.40 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1wen s PHE 42 CO -0.17 -0.93 0.12 -1.01 0.70 0.00 0.00 175.22 173.93 1wen s HIS 43 N -3.47 3.45 0.06 0.36 3.76 -1.26 -3.22 115.29 114.97 1wen s HIS 43 Ca 0.36 0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 55.46 1wen s HIS 43 Cb 0.02 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 1wen s HIS 43 CO 0.21 0.46 1.29 0.74 -0.85 0.00 0.00 174.74 176.59 1wen h PHE 44 N 5.91 -0.88 -0.84 1.40 -1.00 -1.44 0.20 116.94 120.29 1wen h PHE 44 Ca -0.47 0.04 0.20 0.00 2.81 0.00 0.00 57.97 60.55 1wen h PHE 44 Cb 1.19 0.40 -0.15 0.00 3.61 0.00 0.00 35.95 40.99 1wen h PHE 44 CO 0.65 -0.28 -0.02 0.00 -1.61 0.00 0.00 178.31 177.05 1wen h ALA 45 N -0.75 0.86 0.36 2.45 0.00 -1.85 0.17 119.26 120.50 1wen h ALA 45 Ca 0.03 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1wen h ALA 45 Cb 0.34 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wen h ALA 45 CO -0.27 -0.46 -0.18 0.00 0.00 0.00 0.00 179.25 178.34 1wen n VAL 47 N -5.31 1.84 -3.61 0.00 0.24 0.60 -4.81 118.33 107.27 1wen n VAL 47 Ca -0.10 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.34 61.47 1wen n VAL 47 Cb 0.22 -1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.21 1wen n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wen n GLY 48 N 1.03 -0.10 3.10 7.63 0.00 -0.73 -4.84 105.19 111.29 1wen n GLY 48 Ca 0.05 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.63 5.34 0.30 0.99 1.43 0.42 -4.93 118.68 116.61 1wen s LEU 49 Ca 0.07 -2.98 0.02 0.00 -1.03 0.00 0.00 54.13 50.21 1wen s LEU 49 Cb -0.04 -1.88 0.56 0.00 0.03 0.00 0.00 46.19 44.86 1wen s LEU 49 CO 0.63 -0.35 1.89 0.74 0.23 0.00 0.00 176.35 179.49 1wen h THR 50 N 5.08 1.01 -3.90 5.49 2.02 -1.88 -3.38 112.91 117.35 1wen h THR 50 Ca 0.02 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 1wen h THR 50 Cb 0.94 -0.07 -0.15 0.00 -1.74 0.00 0.00 68.15 67.13 1wen h THR 50 CO 0.73 0.18 -0.45 0.42 0.37 0.00 0.00 175.52 176.77 1wen s THR 51 N -5.90 0.16 -0.20 3.16 -4.23 -1.26 -5.03 115.64 102.34 1wen s THR 51 Ca -0.11 -1.31 -0.35 0.00 -1.18 0.00 0.00 61.69 58.73 1wen s THR 51 Cb 0.21 -1.34 -0.12 0.00 1.34 0.00 0.00 72.50 72.58 1wen s THR 51 CO 0.80 -0.72 1.94 1.17 -0.54 0.00 0.00 174.62 177.26 1wen n LYS 52 N 0.05 1.69 -1.21 3.99 4.81 -1.26 -4.93 118.16 121.30 1wen n LYS 52 Ca -0.15 0.59 -0.30 0.00 -0.87 0.00 0.00 58.31 57.58 1wen n LYS 52 Cb 0.62 -2.51 0.14 0.00 0.02 0.00 0.00 35.03 33.29 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 4.56 1.27 0.54 1.64 0.04 -1.26 -5.05 135.00 136.74 1wen s PRO 53 Ca 0.98 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1wen s PRO 53 Cb -0.80 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 31.94 1wen s PRO 53 CO 0.54 -2.23 0.81 0.50 0.04 0.00 0.00 177.00 176.65 1wen s ARG 54 N -4.94 2.91 2.82 4.56 3.52 -1.26 -4.94 118.95 121.63 1wen s ARG 54 Ca 0.63 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1wen s ARG 54 Cb -0.18 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1wen s ARG 54 CO 0.57 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1wen n GLY 55 N -2.39 1.75 3.95 8.12 0.00 -1.26 -4.69 105.19 110.68 1wen n GLY 55 Ca 0.04 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 2.28 -0.14 1.61 0.00 -1.26 -5.11 119.74 117.11 1wen s LYS 56 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 55.97 55.34 1wen s LYS 56 Cb 0.00 -2.32 0.06 0.00 0.00 0.00 0.00 37.83 35.57 1wen s LYS 56 CO 0.00 -1.04 0.32 -0.46 0.00 0.00 0.00 175.35 174.17 1wen s TRP 57 N -3.03 -0.48 -0.27 1.78 -0.00 -1.26 -5.01 118.94 110.66 1wen s TRP 57 Ca 0.60 1.06 -0.07 0.00 -0.00 0.00 0.00 56.10 57.69 1wen s TRP 57 Cb -0.10 0.14 -0.01 0.00 -0.00 0.00 0.00 33.47 33.50 1wen s TRP 57 CO 0.42 -0.31 0.07 -0.06 -0.00 0.00 0.00 176.95 177.06 1wen s PHE 58 N 1.62 3.11 0.79 5.86 0.40 -1.26 0.06 117.98 128.55 1wen s PHE 58 Ca -0.07 -0.78 -0.17 0.00 -0.60 0.00 0.00 56.93 55.31 1wen s PHE 58 Cb -0.10 -2.24 -0.11 0.00 0.51 0.00 0.00 43.02 41.08 1wen s PHE 58 CO -0.10 -0.50 -0.19 0.00 0.70 0.00 0.00 175.22 175.12 1wen n PRO 60 N 1.08 0.49 -0.04 0.00 -0.04 -1.26 -2.00 135.00 133.22 1wen n PRO 60 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1wen n PRO 60 Cb 0.52 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.81 0.90 -0.09 0.54 1.74 -1.26 -4.06 116.66 113.62 1wen n ARG 61 Ca 0.07 -0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1wen n ARG 61 Cb 0.03 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 29.93 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wen n SER 63 N -3.70 2.39 -0.23 0.00 2.88 -0.85 -4.51 113.62 109.60 1wen n SER 63 Ca -0.42 -2.26 0.10 0.00 -1.33 0.00 0.00 58.87 54.96 1wen n SER 63 Cb 0.94 -0.49 0.19 0.00 -0.75 0.00 0.00 64.21 64.11 1wen n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wen n GLN 64 N 0.22 -0.05 -1.73 -1.46 0.00 -1.26 -2.33 117.38 110.77 1wen n GLN 64 Ca 0.09 1.00 -0.42 0.00 0.00 0.00 0.00 57.00 57.67 1wen n GLN 64 Cb 0.51 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 29.13 1wen n GLN 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1wen s GLU 65 N -5.56 3.92 -1.73 2.61 2.12 -1.26 -2.59 118.70 116.20 1wen s GLU 65 Ca -0.09 2.37 -0.15 0.00 0.36 0.00 0.00 54.97 57.47 1wen s GLU 65 Cb 0.20 -4.18 0.14 0.00 0.26 0.00 0.00 34.13 30.55 1wen s GLU 65 CO 0.52 -1.20 0.44 0.43 -0.54 0.00 0.00 175.26 174.91 1wen n SER 66 N 8.40 -1.15 -1.02 -1.70 7.64 -1.26 -4.91 113.62 119.61 1wen n SER 66 Ca 0.21 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1wen n SER 66 Cb 0.42 -1.86 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 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 -1.61 4.05 3.57 0.23 0.00 -0.98 -5.01 105.19 105.44 1wen n GLY 67 Ca -0.04 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 1wen n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wen s PRO 68 N -0.07 2.53 0.42 1.61 0.04 -1.26 -4.94 135.00 133.33 1wen s PRO 68 Ca 0.00 -0.60 0.08 0.00 0.04 0.00 0.00 61.00 60.52 1wen s PRO 68 Cb 0.00 -5.13 -0.00 0.00 0.04 0.00 0.00 34.50 29.41 1wen s PRO 68 CO 0.00 -3.60 0.49 -1.54 0.04 0.00 0.00 177.00 172.39 1wen s SER 69 N 7.49 5.39 -0.07 6.66 1.04 -1.26 -4.80 113.70 128.15 1wen s SER 69 Ca 0.69 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 1wen s SER 69 Cb -0.05 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 1wen s SER 69 CO 0.04 -0.72 -0.10 -0.24 0.98 0.00 0.00 173.24 173.21 1wen n SER 70 N -1.72 0.58 0.00 7.02 2.88 -1.26 -5.21 113.62 115.90 1wen n SER 70 Ca 0.06 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1wen n SER 70 Cb 0.60 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1wen n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42