#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 -0.57 0.45 1.61 1.04 -1.26 -5.16 113.70 109.82 1wen s SER 2 Ca 0.00 1.09 -0.21 0.00 0.48 0.00 0.00 55.95 57.31 1wen s SER 2 Cb 0.00 1.18 -0.10 0.00 0.10 0.00 0.00 66.02 67.20 1wen s SER 2 CO 0.00 -0.21 0.98 -0.55 0.98 0.00 0.00 173.24 174.44 1wen s SER 3 N 1.92 6.73 -0.97 7.02 0.15 -1.26 -5.01 113.70 122.28 1wen s SER 3 Ca -0.07 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.31 1wen s SER 3 Cb -0.09 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 61.94 1wen s SER 3 CO -0.15 -0.51 1.07 0.61 1.20 0.00 0.00 173.24 175.47 1wen n GLY 4 N -0.56 4.56 2.71 9.45 0.00 -1.26 -5.04 105.19 115.05 1wen n GLY 4 Ca 0.08 -2.64 -0.48 0.00 0.00 0.00 0.00 46.02 42.98 1wen n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wen n SER 5 N 1.89 0.54 -0.04 1.61 2.88 -1.26 -4.85 113.62 114.39 1wen n SER 5 Ca 0.25 0.87 -0.14 0.00 -1.33 0.00 0.00 58.87 58.52 1wen n SER 5 Cb 0.37 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.05 1wen n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wen h SER 6 N 3.13 0.04 0.00 -3.46 0.02 -2.04 -3.40 113.55 107.84 1wen h SER 6 Ca -0.35 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 59.84 1wen h SER 6 Cb 1.03 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1wen h SER 6 CO 0.63 0.80 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1wen n GLY 7 N 0.99 -3.23 3.13 -3.77 0.00 -1.26 -4.76 105.19 96.28 1wen n GLY 7 Ca -0.09 0.63 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 1wen n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wen s ASP 8 N -2.90 -0.35 0.00 1.61 2.15 -1.26 -5.16 116.67 110.77 1wen s ASP 8 Ca 0.00 0.64 0.01 0.00 0.43 0.00 0.00 52.55 53.63 1wen s ASP 8 Cb 0.00 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 1wen s ASP 8 CO 0.00 -0.17 0.04 0.00 -0.17 0.00 0.00 175.17 174.87 1wen s MET 9 N 1.30 2.91 1.07 4.34 0.23 -1.26 -4.92 119.30 122.97 1wen s MET 9 Ca -0.09 -0.56 -0.15 0.00 -1.03 0.00 0.00 55.69 53.86 1wen s MET 9 Cb -0.10 -2.76 0.23 0.00 -1.53 0.00 0.00 34.83 30.67 1wen s MET 9 CO -0.10 0.63 1.10 -1.25 -2.03 0.00 0.00 175.02 173.37 1wen s PRO 10 N -1.69 -0.19 1.10 3.16 0.04 -1.26 -5.01 135.00 131.15 1wen s PRO 10 Ca 0.22 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1wen s PRO 10 Cb -0.12 -1.68 0.17 0.00 0.04 0.00 0.00 34.50 32.91 1wen s PRO 10 CO 0.13 -3.10 0.27 1.33 0.04 0.00 0.00 177.00 175.67 1wen n VAL 11 N -4.40 0.00 -3.51 -0.36 0.24 -1.26 -5.05 118.33 103.99 1wen n VAL 11 Ca 0.08 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 62.09 1wen n VAL 11 Cb 0.58 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.05 -0.60 0.00 -1.34 1.11 -1.26 -5.02 116.67 107.51 1wen s ASP 12 Ca 0.46 0.49 0.12 0.00 0.18 0.00 0.00 52.55 53.80 1wen s ASP 12 Cb -0.08 0.54 0.72 0.00 1.07 0.00 0.00 42.92 45.16 1wen s ASP 12 CO 0.47 -0.69 1.15 -0.81 1.18 0.00 0.00 175.17 176.47 1wen n PRO 13 N 0.61 0.49 -0.27 8.23 -0.04 -1.26 -3.91 135.00 138.84 1wen n PRO 13 Ca -0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.23 1wen n PRO 13 Cb 0.59 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1wen n PRO 13 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1wen h ASN 14 N 0.00 -1.34 -5.03 3.54 -0.73 -2.02 -3.42 115.58 106.58 1wen h ASN 14 Ca 0.00 0.26 -0.16 0.00 1.87 0.00 0.00 56.30 58.27 1wen h ASN 14 Cb 0.00 0.67 -0.17 0.00 0.27 0.00 0.00 38.32 39.09 1wen h ASN 14 CO 0.00 -0.30 -0.69 -1.61 -0.37 0.00 0.00 177.43 174.46 1wen s GLU 15 N -5.94 0.57 0.60 6.67 2.02 -1.25 -5.15 118.70 116.21 1wen s GLU 15 Ca -0.14 -1.05 -0.17 0.00 0.02 0.00 0.00 54.97 53.62 1wen s GLU 15 Cb 0.17 0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.44 1wen s GLU 15 CO 0.69 -0.07 1.12 -1.25 0.02 0.00 0.00 175.26 175.78 1wen s PRO 16 N -3.12 3.11 0.03 0.39 0.04 -1.26 -4.64 135.00 129.55 1wen s PRO 16 Ca 0.01 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 1wen s PRO 16 Cb 0.02 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wen s PRO 16 CO -0.06 -1.03 0.23 0.95 0.04 0.00 0.00 177.00 177.13 1wen s THR 17 N -2.03 5.37 0.00 1.26 -4.23 -1.26 -4.05 115.64 110.69 1wen s THR 17 Ca 0.70 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1wen s THR 17 Cb -0.22 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1wen s THR 17 CO 0.33 0.25 0.00 -1.22 -0.54 0.00 0.00 174.62 173.44 1wen n TYR 18 N 0.70 0.00 -0.73 3.99 4.02 -1.22 -4.98 117.16 118.95 1wen n TYR 18 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.49 1wen n TYR 18 Cb 0.52 0.09 0.15 0.00 -0.02 0.00 0.00 39.34 40.08 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 -1.77 0.05 -1.19 0.00 4.07 -1.97 -0.61 115.31 113.90 1wen h LEU 20 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1wen h LEU 20 Cb 1.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1wen h LEU 20 CO 0.37 0.03 0.45 0.00 -1.08 0.00 0.00 178.44 178.22 1wen n HIS 22 N -2.48 -2.18 -4.53 0.00 8.25 -0.24 -5.01 115.22 109.04 1wen n HIS 22 Ca -0.01 0.70 -0.25 0.00 -0.26 0.00 0.00 57.72 57.90 1wen n HIS 22 Cb 0.48 -4.35 -0.11 0.00 1.12 0.00 0.00 29.99 27.14 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 -5.89 1.78 1.21 -0.41 -1.52 -1.26 -4.91 119.66 108.66 1wen s GLN 23 Ca 0.41 -1.93 -0.19 0.00 -1.95 0.00 0.00 55.36 51.69 1wen s GLN 23 Cb -0.18 -1.53 0.29 0.00 -0.22 0.00 0.00 33.01 31.37 1wen s GLN 23 CO 0.50 0.07 1.10 0.14 -0.25 0.00 0.00 175.29 176.85 1wen s VAL 24 N -2.75 1.58 0.18 1.09 -7.23 -1.26 -3.40 120.40 108.61 1wen s VAL 24 Ca 0.32 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.18 1wen s VAL 24 Cb 0.04 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 1wen s VAL 24 CO 0.16 0.00 1.57 -0.94 -0.31 0.00 0.00 175.10 175.58 1wen s SER 25 N -3.87 6.56 -0.08 4.85 1.04 -1.26 -4.88 113.70 116.07 1wen s SER 25 Ca 0.71 2.66 -0.31 0.00 0.48 0.00 0.00 55.95 59.48 1wen s SER 25 Cb -0.10 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 63.54 1wen s SER 25 CO 0.56 -0.83 1.06 -0.72 0.98 0.00 0.00 173.24 174.29 1wen s TYR 26 N 1.01 -0.22 0.23 5.02 -0.85 -1.26 -5.16 117.35 116.14 1wen s TYR 26 Ca 0.69 0.11 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 1wen s TYR 26 Cb -0.44 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1wen s TYR 26 CO 0.33 -0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.37 1wen n GLY 27 N -0.21 -1.31 3.74 5.49 0.00 -1.26 -4.64 105.19 107.00 1wen n GLY 27 Ca -0.05 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.93 4.30 0.23 1.61 8.01 -1.26 -4.94 118.70 124.73 1wen s GLU 28 Ca 0.00 2.21 0.01 0.00 0.01 0.00 0.00 54.97 57.21 1wen s GLU 28 Cb 0.00 -3.16 -0.05 0.00 -4.31 0.00 0.00 34.13 26.61 1wen s GLU 28 CO 0.00 -0.40 0.06 -1.64 0.01 0.00 0.00 175.26 173.29 1wen s MET 29 N 0.09 1.31 0.26 1.61 -1.94 -1.26 -0.68 119.30 118.70 1wen s MET 29 Ca 0.61 -1.69 0.02 0.00 -1.71 0.00 0.00 55.69 52.92 1wen s MET 29 Cb -0.40 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1wen s MET 29 CO 0.38 -0.24 0.14 0.96 -0.01 0.00 0.00 175.02 176.26 1wen s ILE 30 N -3.72 0.30 -0.18 2.53 -0.00 -1.06 -4.94 121.20 114.13 1wen s ILE 30 Ca 0.33 -2.00 -0.00 0.00 -0.00 0.00 0.00 60.65 58.98 1wen s ILE 30 Cb 0.07 -2.55 0.01 0.00 -0.00 0.00 0.00 42.46 39.99 1wen s ILE 30 CO 0.10 0.00 -0.15 -0.83 -0.00 0.00 0.00 174.94 174.07 1wen s GLY 31 N -3.30 1.47 0.25 6.27 0.00 -1.26 -3.44 107.32 107.31 1wen s GLY 31 Ca 0.37 -1.14 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 1wen s GLY 31 CO 0.15 0.22 1.58 0.00 0.00 0.00 0.00 173.10 175.05 1wen h ASP 33 N 5.54 0.68 -1.88 0.00 3.58 -1.14 -3.43 116.42 119.77 1wen h ASP 33 Ca -0.45 -0.22 -0.64 0.00 0.42 0.00 0.00 57.03 56.13 1wen h ASP 33 Cb 1.21 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.09 1wen h ASP 33 CO 0.84 0.86 1.09 -3.20 -2.88 0.00 0.00 179.24 175.95 1wen n ASN 34 N -4.14 3.16 0.28 2.28 5.15 -1.26 -4.84 115.26 115.90 1wen n ASN 34 Ca 0.00 0.95 0.17 0.00 -0.60 0.00 0.00 54.58 55.10 1wen n ASN 34 Cb 0.39 -1.32 0.70 0.00 -0.53 0.00 0.00 39.78 39.02 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 9.13 0.00 0.19 1.20 0.13 -2.02 -3.02 132.00 137.61 1wen h PRO 35 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1wen h PRO 35 Cb 1.28 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.45 1wen h PRO 35 CO 0.96 0.01 -1.37 -0.44 -0.23 0.00 0.00 178.00 176.93 1wen h ASP 36 N 0.00 0.85 -0.97 1.44 3.32 -1.96 -3.46 116.42 115.63 1wen h ASP 36 Ca -0.00 -0.85 -0.77 0.00 0.02 0.00 0.00 57.03 55.43 1wen h ASP 36 Cb 0.50 -0.27 0.05 0.00 0.22 0.00 0.00 39.33 39.82 1wen h ASP 36 CO 0.00 1.66 0.07 0.00 -1.72 0.00 0.00 179.24 179.24 1wen h SER 38 N 2.94 0.45 0.29 0.00 0.02 -1.90 -3.40 113.55 111.96 1wen h SER 38 Ca -0.50 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 59.55 1wen h SER 38 Cb 1.39 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wen h SER 38 CO 0.64 1.55 -0.14 0.40 -1.14 0.00 0.00 176.83 178.14 1wen h ILE 39 N -0.29 0.00 -5.39 3.27 2.04 -1.92 -3.47 117.51 111.75 1wen h ILE 39 Ca -0.25 -0.28 -0.41 0.00 1.00 0.00 0.00 64.86 64.92 1wen h ILE 39 Cb 1.76 0.00 0.07 0.00 -0.74 0.00 0.00 36.82 37.91 1wen h ILE 39 CO 0.11 0.00 -0.66 -0.62 0.00 0.00 0.00 178.15 176.98 1wen n GLU 40 N -3.84 -6.30 -3.55 2.37 1.02 -1.26 -4.97 120.64 104.12 1wen n GLU 40 Ca -0.05 0.81 -0.01 0.00 -0.02 0.00 0.00 57.16 57.89 1wen n GLU 40 Cb 0.15 -5.76 -0.05 0.00 -0.02 0.00 0.00 31.44 25.77 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wen s TRP 41 N -3.24 -0.90 0.02 -0.32 0.52 -1.25 -3.69 118.94 110.08 1wen s TRP 41 Ca 0.49 1.63 -0.08 0.00 0.02 0.00 0.00 56.10 58.15 1wen s TRP 41 Cb -0.22 0.54 0.00 0.00 -1.15 0.00 0.00 33.47 32.64 1wen s TRP 41 CO 0.60 -0.45 0.16 -0.06 0.02 0.00 0.00 176.95 177.22 1wen s PHE 42 N 2.27 0.06 0.26 -1.98 0.40 -1.22 -2.85 117.98 114.91 1wen s PHE 42 Ca -0.06 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 1wen s PHE 42 Cb -0.07 -0.05 -0.09 0.00 0.51 0.00 0.00 43.02 43.32 1wen s PHE 42 CO -0.18 -0.34 0.96 -1.01 0.70 0.00 0.00 175.22 175.35 1wen s HIS 43 N -1.86 3.89 0.00 0.36 3.76 -1.26 -2.55 115.29 117.63 1wen s HIS 43 Ca -0.11 1.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 1wen s HIS 43 Cb -0.05 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.64 1wen s HIS 43 CO -0.00 0.30 0.96 1.19 -0.85 0.00 0.00 174.74 176.34 1wen n PHE 44 N 1.27 0.00 -0.60 1.40 3.01 0.14 -0.09 117.46 122.59 1wen n PHE 44 Ca -0.01 0.00 0.46 0.00 1.01 0.00 0.00 57.45 58.91 1wen n PHE 44 Cb 0.47 -0.46 0.72 0.00 -0.01 0.00 0.00 39.48 40.20 1wen n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wen n ALA 45 N -2.24 1.62 -0.05 4.37 0.00 -1.26 0.11 120.51 123.06 1wen n ALA 45 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 53.44 53.96 1wen n ALA 45 Cb 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 1wen n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wen n VAL 47 N -4.58 1.81 -3.75 0.00 0.24 0.30 -4.82 118.33 107.52 1wen n VAL 47 Ca -0.10 -0.60 -0.25 0.00 -2.04 0.00 0.00 64.34 61.36 1wen n VAL 47 Cb 0.49 -1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 31.62 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 0.68 -0.15 3.26 7.63 0.00 -0.73 -4.88 105.19 111.01 1wen n GLY 48 Ca 0.10 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.90 2.65 0.01 0.99 1.43 -0.97 -4.98 118.68 111.91 1wen s LEU 49 Ca 0.18 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1wen s LEU 49 Cb -0.11 -1.65 -0.23 0.00 0.03 0.00 0.00 46.19 44.24 1wen s LEU 49 CO 0.72 0.01 0.88 0.74 0.23 0.00 0.00 176.35 178.92 1wen h THR 50 N 5.75 1.15 -4.38 5.49 2.02 -1.89 -3.36 112.91 117.68 1wen h THR 50 Ca -0.41 -2.94 -0.20 0.00 0.77 0.00 0.00 66.41 63.63 1wen h THR 50 Cb 1.16 2.59 -0.14 0.00 -1.74 0.00 0.00 68.15 70.02 1wen h THR 50 CO 0.61 0.69 -0.53 0.42 0.37 0.00 0.00 175.52 177.07 1wen s THR 51 N -2.64 0.02 -0.37 3.16 -4.23 -1.26 -5.09 115.64 105.24 1wen s THR 51 Ca -0.04 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.32 1wen s THR 51 Cb 0.09 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1wen s THR 51 CO 0.82 -0.08 1.40 -0.75 -0.54 0.00 0.00 174.62 175.47 1wen s LYS 52 N -4.11 3.68 0.12 3.99 2.20 -1.26 -4.98 119.74 119.38 1wen s LYS 52 Ca 0.33 1.08 -0.31 0.00 -0.36 0.00 0.00 55.97 56.71 1wen s LYS 52 Cb 0.06 -3.99 -0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1wen s LYS 52 CO 0.09 -1.43 1.35 -1.25 -0.36 0.00 0.00 175.35 173.76 1wen s PRO 53 N 4.72 4.34 0.35 4.03 0.04 -1.26 -5.01 135.00 142.22 1wen s PRO 53 Ca 0.61 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 1wen s PRO 53 Cb -0.15 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 1wen s PRO 53 CO 0.30 -0.38 0.97 0.50 0.04 0.00 0.00 177.00 178.43 1wen s ARG 54 N 0.88 4.44 1.94 4.56 6.06 -1.26 -4.77 118.95 130.80 1wen s ARG 54 Ca 0.62 1.36 0.00 0.00 -2.50 0.00 0.00 55.73 55.21 1wen s ARG 54 Cb -0.36 -2.67 0.00 0.00 0.06 0.00 0.00 34.95 31.98 1wen s ARG 54 CO 0.32 0.14 0.00 0.41 -2.50 0.00 0.00 175.30 173.66 1wen n GLY 55 N 0.37 0.89 3.58 8.12 0.00 -1.26 -4.92 105.19 111.98 1wen n GLY 55 Ca 0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 2.13 -0.06 1.61 -2.85 -1.26 -5.08 119.74 114.23 1wen s LYS 56 Ca 0.00 -1.14 -0.03 0.00 -1.00 0.00 0.00 55.97 53.81 1wen s LYS 56 Cb 0.00 -2.25 0.04 0.00 -2.06 0.00 0.00 37.83 33.56 1wen s LYS 56 CO 0.00 0.47 0.13 -0.46 0.10 0.00 0.00 175.35 175.59 1wen s TRP 57 N -1.48 -0.14 -0.21 1.78 -0.00 -1.26 -5.00 118.94 112.62 1wen s TRP 57 Ca 0.24 0.44 -0.05 0.00 -0.00 0.00 0.00 56.10 56.73 1wen s TRP 57 Cb -0.10 -0.10 -0.02 0.00 -0.00 0.00 0.00 33.47 33.25 1wen s TRP 57 CO 0.15 -0.16 -0.00 -0.06 -0.00 0.00 0.00 176.95 176.88 1wen s PHE 58 N 1.14 3.02 0.74 5.86 0.40 -1.26 -0.44 117.98 127.44 1wen s PHE 58 Ca -0.09 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.52 1wen s PHE 58 Cb -0.11 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 1wen s PHE 58 CO -0.06 -0.33 0.64 0.00 0.70 0.00 0.00 175.22 176.18 1wen n PRO 60 N -1.13 0.49 -0.01 0.00 -0.04 -1.26 -1.96 135.00 131.10 1wen n PRO 60 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1wen n PRO 60 Cb 0.50 -1.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.64 0.44 -0.11 0.54 1.74 -1.26 -4.44 116.66 112.93 1wen n ARG 61 Ca 0.03 -0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 56.82 1wen n ARG 61 Cb 0.02 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.00 0.07 0.00 0.00 0.87 -1.77 -2.56 113.55 109.16 1wen h SER 63 Ca -0.26 0.21 -0.51 0.00 -1.23 0.00 0.00 61.79 60.00 1wen h SER 63 Cb 1.17 0.26 0.02 0.00 -0.44 0.00 0.00 62.40 63.41 1wen h SER 63 CO -0.16 -0.19 2.91 0.00 -0.53 0.00 0.00 176.83 178.86 1wen n GLN 64 N -5.22 2.45 -4.29 2.24 -0.00 -1.26 -4.87 117.38 106.43 1wen n GLN 64 Ca 0.24 -1.77 -0.34 0.00 -0.00 0.00 0.00 57.00 55.14 1wen n GLN 64 Cb 0.78 -2.65 -0.09 0.00 -0.00 0.00 0.00 30.24 28.28 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 3.31 2.93 -0.69 2.61 2.56 -0.97 -4.99 118.70 123.45 1wen s GLU 65 Ca 0.50 -0.49 -0.27 0.00 0.00 0.00 0.00 54.97 54.71 1wen s GLU 65 Cb 0.13 -2.76 0.02 0.00 2.00 0.00 0.00 34.13 33.51 1wen s GLU 65 CO -0.02 0.67 1.43 -1.12 -0.56 0.00 0.00 175.26 175.65 1wen s SER 66 N -1.27 5.95 0.00 -1.70 0.01 -1.26 -4.83 113.70 110.60 1wen s SER 66 Ca 0.17 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wen s SER 66 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1wen s SER 66 CO 0.07 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.38 1wen n GLY 67 N 5.44 3.58 0.00 3.44 0.00 -1.26 -5.00 105.19 111.39 1wen n GLY 67 Ca 0.08 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 0.32 -1.51 1.61 -0.04 -1.26 -4.78 135.00 129.33 1wen n PRO 68 Ca 0.00 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 1wen n PRO 68 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1wen n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wen n SER 69 N -1.18 0.50 -4.60 3.54 2.88 -1.26 -4.88 113.62 108.62 1wen n SER 69 Ca 0.09 -0.21 -0.26 0.00 -1.33 0.00 0.00 58.87 57.16 1wen n SER 69 Cb 0.09 -1.04 -0.09 0.00 -0.75 0.00 0.00 64.21 62.43 1wen n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wen s SER 70 N 8.22 4.41 0.00 -3.46 0.15 -1.26 -5.14 113.70 116.62 1wen s SER 70 Ca 1.24 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1wen s SER 70 Cb -0.88 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1wen s SER 70 CO 0.43 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.56