#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 4.25 0.43 1.61 1.04 -1.26 -5.11 113.70 114.66 1wen s SER 2 Ca 0.00 -1.28 0.06 0.00 0.48 0.00 0.00 55.95 55.21 1wen s SER 2 Cb 0.00 -1.54 -0.07 0.00 0.10 0.00 0.00 66.02 64.51 1wen s SER 2 CO 0.00 -0.16 0.03 -0.44 0.98 0.00 0.00 173.24 173.65 1wen s SER 3 N 1.13 3.98 0.36 7.02 0.01 -1.26 -5.16 113.70 119.77 1wen s SER 3 Ca -0.07 -1.39 0.05 0.00 1.31 0.00 0.00 55.95 55.85 1wen s SER 3 Cb -0.19 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.72 1wen s SER 3 CO -0.06 -0.53 0.04 -0.83 0.41 0.00 0.00 173.24 172.27 1wen s GLY 4 N -3.76 2.25 0.38 3.44 0.00 -1.26 -5.16 107.32 103.20 1wen s GLY 4 Ca 0.31 -2.08 0.08 0.00 0.00 0.00 0.00 44.72 43.02 1wen s GLY 4 CO 0.16 -1.92 0.19 -1.35 0.00 0.00 0.00 173.10 170.18 1wen s SER 5 N -3.57 4.65 -0.23 1.64 1.04 -1.26 -5.07 113.70 110.90 1wen s SER 5 Ca 0.35 -0.87 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 1wen s SER 5 Cb 0.09 -0.62 -0.17 0.00 0.10 0.00 0.00 66.02 65.41 1wen s SER 5 CO 0.16 -0.43 -0.09 -1.54 0.98 0.00 0.00 173.24 172.32 1wen n SER 6 N -1.24 1.97 -3.65 7.02 3.41 -1.26 -5.08 113.62 114.80 1wen n SER 6 Ca -0.01 0.20 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 1wen n SER 6 Cb 0.62 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1wen n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wen s GLY 7 N -5.69 -0.11 -0.54 5.00 0.00 -1.26 -5.11 107.32 99.61 1wen s GLY 7 Ca -0.33 2.20 0.00 0.00 0.00 0.00 0.00 44.72 46.59 1wen s GLY 7 CO 0.59 0.77 0.32 0.99 0.00 0.00 0.00 173.10 175.77 1wen s ASP 8 N -1.74 4.89 0.01 1.64 1.01 -1.26 -5.07 116.67 116.14 1wen s ASP 8 Ca 0.11 -2.77 -0.28 0.00 0.71 0.00 0.00 52.55 50.32 1wen s ASP 8 Cb -0.01 -1.76 -0.14 0.00 1.01 0.00 0.00 42.92 42.02 1wen s ASP 8 CO -0.04 -0.34 0.75 1.15 0.21 0.00 0.00 175.17 176.90 1wen n MET 9 N 3.53 0.00 -0.92 8.23 0.00 -1.26 -4.91 117.12 121.80 1wen n MET 9 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.49 1wen n MET 9 Cb 0.37 -1.06 0.22 0.00 0.00 0.00 0.00 33.22 32.75 1wen n MET 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1wen n PRO 10 N 1.06 -2.91 -0.69 3.17 -0.04 -1.26 -5.03 135.00 129.29 1wen n PRO 10 Ca 0.14 -1.54 -0.30 0.00 -0.04 0.00 0.00 63.50 61.76 1wen n PRO 10 Cb 0.06 -1.45 0.26 0.00 -0.04 0.00 0.00 33.50 32.33 1wen n PRO 10 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wen s VAL 11 N -2.75 1.52 0.01 0.52 -7.23 -1.26 -5.08 120.40 106.14 1wen s VAL 11 Ca 0.63 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.76 1wen s VAL 11 Cb -0.06 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1wen s VAL 11 CO 0.48 0.00 0.04 -1.81 -0.31 0.00 0.00 175.10 173.51 1wen s ASP 12 N -3.32 0.15 0.00 4.85 1.01 -1.26 -5.02 116.67 113.07 1wen s ASP 12 Ca 0.69 -0.38 0.15 0.00 0.71 0.00 0.00 52.55 53.72 1wen s ASP 12 Cb -0.14 0.15 0.79 0.00 1.01 0.00 0.00 42.92 44.72 1wen s ASP 12 CO 0.58 -0.34 1.39 -0.81 0.21 0.00 0.00 175.17 176.21 1wen n PRO 13 N 1.50 0.27 -0.08 8.23 -0.04 -1.26 -3.18 135.00 140.44 1wen n PRO 13 Ca -0.23 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 1wen n PRO 13 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1wen n PRO 13 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wen h ASN 14 N 0.00 0.00 -3.41 3.54 4.21 -2.04 -3.46 115.58 114.43 1wen h ASN 14 Ca 0.00 -0.42 -0.52 0.00 1.21 0.00 0.00 56.30 56.57 1wen h ASN 14 Cb 0.11 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1wen h ASN 14 CO 0.00 1.10 0.59 -1.61 -1.29 0.00 0.00 177.43 176.23 1wen s GLU 15 N -2.21 4.45 0.25 0.81 8.01 -1.19 -4.99 118.70 123.82 1wen s GLU 15 Ca -0.20 1.93 -0.30 0.00 0.01 0.00 0.00 54.97 56.41 1wen s GLU 15 Cb 0.03 -3.24 -0.09 0.00 -4.31 0.00 0.00 34.13 26.52 1wen s GLU 15 CO 0.45 -0.17 1.27 -1.25 0.01 0.00 0.00 175.26 175.57 1wen s PRO 16 N -0.03 4.42 -0.13 0.39 0.04 -1.26 -4.78 135.00 133.66 1wen s PRO 16 Ca 0.55 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.66 1wen s PRO 16 Cb -0.34 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1wen s PRO 16 CO 0.36 -0.15 -0.19 0.95 0.04 0.00 0.00 177.00 178.01 1wen s THR 17 N -0.43 1.81 0.00 1.26 -4.23 -1.26 -4.25 115.64 108.54 1wen s THR 17 Ca 0.52 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1wen s THR 17 Cb -0.36 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1wen s THR 17 CO 0.42 0.50 0.00 -1.22 -0.54 0.00 0.00 174.62 173.79 1wen n TYR 18 N 4.15 0.00 -0.99 3.99 4.02 -1.21 -4.89 117.16 122.24 1wen n TYR 18 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.34 1wen n TYR 18 Cb 0.51 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.83 -0.58 0.00 4.07 -1.96 -1.62 115.31 115.06 1wen h LEU 20 Ca -0.43 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1wen h LEU 20 Cb 1.29 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wen h LEU 20 CO 0.23 0.73 0.17 0.00 -1.08 0.00 0.00 178.44 178.49 1wen n HIS 22 N -1.78 -1.63 -4.43 0.00 8.25 -0.61 -5.05 115.22 109.97 1wen n HIS 22 Ca -0.01 0.64 -0.27 0.00 -0.26 0.00 0.00 57.72 57.82 1wen n HIS 22 Cb 0.18 -3.94 -0.10 0.00 1.12 0.00 0.00 29.99 27.26 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 -4.52 2.07 0.84 -0.41 -1.52 -1.26 -4.89 119.66 109.97 1wen s GLN 23 Ca 0.15 -2.01 -0.12 0.00 -1.95 0.00 0.00 55.36 51.43 1wen s GLN 23 Cb -0.02 -1.77 0.09 0.00 -0.22 0.00 0.00 33.01 31.09 1wen s GLN 23 CO 0.52 -0.08 1.10 0.14 -0.25 0.00 0.00 175.29 176.72 1wen s VAL 24 N -2.67 2.83 -0.91 1.09 -7.23 -1.26 -3.33 120.40 108.92 1wen s VAL 24 Ca 0.37 0.27 -0.24 0.00 -1.81 0.00 0.00 61.98 60.57 1wen s VAL 24 Cb 0.08 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1wen s VAL 24 CO 0.20 -0.35 1.76 -0.44 -0.31 0.00 0.00 175.10 175.95 1wen s SER 25 N -3.81 5.62 0.33 4.85 0.01 -1.26 -4.91 113.70 114.52 1wen s SER 25 Ca 0.62 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 57.08 1wen s SER 25 Cb -0.15 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 1wen s SER 25 CO 0.55 -2.30 0.07 -0.72 0.41 0.00 0.00 173.24 171.25 1wen s TYR 26 N 8.24 1.89 0.15 2.43 -0.85 -1.26 -5.10 117.35 122.85 1wen s TYR 26 Ca 0.61 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1wen s TYR 26 Cb -0.05 -1.23 0.00 0.00 0.38 0.00 0.00 41.96 41.06 1wen s TYR 26 CO -0.01 -0.07 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 1wen n GLY 27 N -0.69 -0.88 3.76 5.49 0.00 -1.26 -4.63 105.19 106.98 1wen n GLY 27 Ca -0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.41 4.31 0.17 1.61 0.41 -1.26 -4.98 118.70 117.56 1wen s GLU 28 Ca 0.00 2.26 0.01 0.00 -0.41 0.00 0.00 54.97 56.83 1wen s GLU 28 Cb 0.00 -3.08 -0.04 0.00 -1.78 0.00 0.00 34.13 29.22 1wen s GLU 28 CO 0.00 -0.29 0.02 -1.64 -0.49 0.00 0.00 175.26 172.86 1wen s MET 29 N -1.28 1.08 0.23 1.61 -1.94 -1.26 -2.37 119.30 115.37 1wen s MET 29 Ca 0.53 -1.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.03 1wen s MET 29 Cb -0.41 -0.14 -0.05 0.00 2.01 0.00 0.00 34.83 36.24 1wen s MET 29 CO 0.50 -0.17 -0.03 0.96 -0.01 0.00 0.00 175.02 176.26 1wen s ILE 30 N -3.76 1.23 -0.28 2.53 -0.00 -1.02 -4.97 121.20 114.93 1wen s ILE 30 Ca 0.25 -2.06 0.01 0.00 -0.00 0.00 0.00 60.65 58.84 1wen s ILE 30 Cb 0.07 -2.31 0.06 0.00 -0.00 0.00 0.00 42.46 40.27 1wen s ILE 30 CO 0.04 -0.37 -0.06 -0.83 -0.00 0.00 0.00 174.94 173.72 1wen s GLY 31 N -3.33 1.70 0.79 6.27 0.00 -1.26 -3.21 107.32 108.29 1wen s GLY 31 Ca 0.27 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 1wen s GLY 31 CO 0.09 0.65 -0.02 0.00 0.00 0.00 0.00 173.10 173.81 1wen n ASP 33 N 1.26 1.39 -4.67 0.00 2.03 -1.21 -4.92 116.55 110.43 1wen n ASP 33 Ca 0.06 0.22 -0.51 0.00 0.52 0.00 0.00 54.79 55.07 1wen n ASP 33 Cb 0.52 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 1wen n ASP 33 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wen n ASN 34 N -3.21 2.63 0.25 1.67 5.15 -1.26 -4.84 115.26 115.65 1wen n ASN 34 Ca -0.28 1.06 0.17 0.00 -0.60 0.00 0.00 54.58 54.93 1wen n ASN 34 Cb 1.06 -1.27 0.67 0.00 -0.53 0.00 0.00 39.78 39.71 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 6.84 0.00 0.15 1.20 0.13 -2.03 -2.96 132.00 135.33 1wen h PRO 35 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1wen h PRO 35 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1wen h PRO 35 CO 0.90 0.00 -1.47 0.22 -0.23 0.00 0.00 178.00 177.42 1wen h ASP 36 N 0.00 0.51 -0.98 1.44 3.58 -2.00 -3.46 116.42 115.50 1wen h ASP 36 Ca 0.00 -0.63 -0.81 0.00 0.42 0.00 0.00 57.03 56.01 1wen h ASP 36 Cb 0.46 -0.17 0.03 0.00 1.72 0.00 0.00 39.33 41.38 1wen h ASP 36 CO 0.00 1.51 0.31 0.00 -2.88 0.00 0.00 179.24 178.18 1wen h SER 38 N 3.74 0.46 0.09 0.00 0.02 -1.90 -3.40 113.55 112.56 1wen h SER 38 Ca -0.47 -0.90 -0.00 0.00 -0.84 0.00 0.00 61.79 59.57 1wen h SER 38 Cb 1.38 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1wen h SER 38 CO 0.77 1.54 -0.04 0.40 -1.14 0.00 0.00 176.83 178.36 1wen h ILE 39 N -0.28 0.00 -3.97 3.27 2.04 -1.94 -3.47 117.51 113.16 1wen h ILE 39 Ca -0.24 -0.10 -0.35 0.00 1.00 0.00 0.00 64.86 65.17 1wen h ILE 39 Cb 1.76 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1wen h ILE 39 CO 0.12 0.00 -0.53 -0.62 0.00 0.00 0.00 178.15 177.12 1wen n GLU 40 N -2.61 -4.38 -3.55 2.37 1.02 -1.26 -4.98 120.64 107.25 1wen n GLU 40 Ca -0.01 0.78 -0.01 0.00 -0.02 0.00 0.00 57.16 57.90 1wen n GLU 40 Cb 0.05 -5.39 -0.04 0.00 -0.02 0.00 0.00 31.44 26.04 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 -3.10 -1.03 0.06 -0.32 0.52 -1.25 -3.72 118.94 110.09 1wen s TRP 41 Ca 0.27 1.82 -0.07 0.00 0.02 0.00 0.00 56.10 58.14 1wen s TRP 41 Cb -0.12 0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 32.81 1wen s TRP 41 CO 0.34 -0.51 0.15 -0.06 0.02 0.00 0.00 176.95 176.89 1wen s PHE 42 N 2.57 0.17 0.20 -1.98 0.40 -1.20 -3.22 117.98 114.92 1wen s PHE 42 Ca -0.05 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.56 1wen s PHE 42 Cb -0.09 -0.10 -0.08 0.00 0.51 0.00 0.00 43.02 43.26 1wen s PHE 42 CO -0.18 -0.46 0.67 -1.01 0.70 0.00 0.00 175.22 174.93 1wen s HIS 43 N -3.30 3.63 0.06 0.36 3.76 -1.26 -2.44 115.29 116.10 1wen s HIS 43 Ca 0.01 1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 55.93 1wen s HIS 43 Cb 0.03 -2.54 -0.14 0.00 1.11 0.00 0.00 32.58 31.04 1wen s HIS 43 CO -0.08 0.36 1.41 0.74 -0.85 0.00 0.00 174.74 176.33 1wen h PHE 44 N 3.46 -1.00 -0.69 1.40 -1.00 -1.78 -0.83 116.94 116.49 1wen h PHE 44 Ca -0.48 -0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.43 1wen h PHE 44 Cb 1.19 0.37 -0.13 0.00 3.61 0.00 0.00 35.95 40.99 1wen h PHE 44 CO 0.64 -0.53 -0.25 0.00 -1.61 0.00 0.00 178.31 176.56 1wen h ALA 45 N -1.28 0.27 0.08 2.45 0.00 -1.87 0.16 119.26 119.06 1wen h ALA 45 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1wen h ALA 45 Cb 0.69 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1wen h ALA 45 CO 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 179.25 178.46 1wen n VAL 47 N -5.41 1.78 -3.68 0.00 0.24 -0.33 -4.86 118.33 106.07 1wen n VAL 47 Ca -0.06 -0.59 -0.25 0.00 -2.04 0.00 0.00 64.34 61.41 1wen n VAL 47 Cb 0.32 -1.15 0.01 0.00 -1.47 0.00 0.00 33.84 31.55 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 0.60 -0.72 2.93 7.63 0.00 -0.46 -4.89 105.19 110.29 1wen n GLY 48 Ca 0.10 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.37 4.35 0.45 0.99 1.43 0.41 -4.94 118.68 116.01 1wen s LEU 49 Ca 0.17 -3.19 0.16 0.00 -1.03 0.00 0.00 54.13 50.24 1wen s LEU 49 Cb -0.10 -1.61 1.10 0.00 0.03 0.00 0.00 46.19 45.61 1wen s LEU 49 CO 0.63 -0.20 1.99 0.00 0.23 0.00 0.00 176.35 179.00 1wen h THR 50 N 5.24 0.88 -3.21 5.49 1.03 -1.90 -3.40 112.91 117.03 1wen h THR 50 Ca -0.03 -0.11 -0.07 0.00 -0.01 0.00 0.00 66.41 66.19 1wen h THR 50 Cb 0.86 0.53 -0.15 0.00 -1.07 0.00 0.00 68.15 68.32 1wen h THR 50 CO 0.69 0.06 -0.12 0.42 -0.01 0.00 0.00 175.52 176.55 1wen s THR 51 N -5.31 0.07 -0.22 0.00 -4.23 -1.26 -5.09 115.64 99.60 1wen s THR 51 Ca -0.07 -0.55 -0.40 0.00 -1.18 0.00 0.00 61.69 59.49 1wen s THR 51 Cb 0.19 -1.04 -0.16 0.00 1.34 0.00 0.00 72.50 72.83 1wen s THR 51 CO 0.74 -0.31 1.65 1.17 -0.54 0.00 0.00 174.62 177.33 1wen n LYS 52 N 0.25 1.06 -2.20 3.99 4.81 -1.26 -4.87 118.16 119.93 1wen n LYS 52 Ca -0.18 0.39 -0.42 0.00 -0.87 0.00 0.00 58.31 57.23 1wen n LYS 52 Cb 0.61 -2.05 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 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 2.87 4.34 0.43 1.64 0.04 -1.26 -5.00 135.00 138.06 1wen s PRO 53 Ca 0.96 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.82 1wen s PRO 53 Cb -1.08 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.13 1wen s PRO 53 CO 0.63 -0.39 1.05 0.50 0.04 0.00 0.00 177.00 178.83 1wen s ARG 54 N 0.88 4.03 0.28 4.56 3.52 -1.26 -4.86 118.95 126.10 1wen s ARG 54 Ca 0.63 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1wen s ARG 54 Cb -0.36 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1wen s ARG 54 CO 0.32 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 1wen n GLY 55 N 0.14 -1.94 3.56 8.12 0.00 -1.26 -4.77 105.19 109.04 1wen n GLY 55 Ca 0.06 -1.24 -0.48 0.00 0.00 0.00 0.00 46.02 44.37 1wen n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wen n LYS 56 N -3.52 1.06 -4.60 1.61 5.02 -1.26 -4.97 118.16 111.50 1wen n LYS 56 Ca -0.00 0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 56.38 1wen n LYS 56 Cb 0.49 -1.78 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 1wen n LYS 56 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1wen s TRP 57 N -0.55 1.99 -0.19 2.13 -0.00 -1.26 -5.11 118.94 115.95 1wen s TRP 57 Ca 0.68 -0.89 -0.03 0.00 -0.00 0.00 0.00 56.10 55.86 1wen s TRP 57 Cb -0.82 -1.41 -0.01 0.00 -0.00 0.00 0.00 33.47 31.22 1wen s TRP 57 CO 0.55 -0.44 -0.05 -0.06 -0.00 0.00 0.00 176.95 176.96 1wen s PHE 58 N 0.83 2.96 0.72 5.86 0.08 -1.26 -3.34 117.98 123.83 1wen s PHE 58 Ca -0.10 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.07 1wen s PHE 58 Cb -0.16 -2.04 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1wen s PHE 58 CO 0.01 -0.38 0.32 0.00 -0.10 0.00 0.00 175.22 175.07 1wen n PRO 60 N -0.16 0.49 -0.02 0.00 -0.04 -1.26 -2.00 135.00 132.01 1wen n PRO 60 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wen n PRO 60 Cb 0.50 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.79 0.62 -0.12 0.54 1.74 -1.26 -4.21 116.66 113.18 1wen n ARG 61 Ca 0.07 -0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 1wen n ARG 61 Cb 0.03 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.80 0.44 -2.67 0.00 2.88 -0.94 -2.95 113.62 106.58 1wen n SER 63 Ca -0.47 0.65 -0.33 0.00 -1.33 0.00 0.00 58.87 57.39 1wen n SER 63 Cb 0.93 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1wen n SER 63 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wen n GLN 64 N -2.04 2.55 -0.00 -1.46 7.27 -1.26 -4.64 117.38 117.81 1wen n GLN 64 Ca 0.01 -2.87 -0.13 0.00 0.07 0.00 0.00 57.00 54.08 1wen n GLN 64 Cb 0.12 -2.20 -0.09 0.00 2.41 0.00 0.00 30.24 30.49 1wen n GLN 64 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wen h GLU 65 N 2.96 0.01 -0.20 3.69 4.39 -1.82 -3.26 114.58 120.36 1wen h GLU 65 Ca 0.47 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 1wen h GLU 65 Cb 0.41 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1wen h GLU 65 CO 1.14 0.36 -0.06 1.03 -1.16 0.00 0.00 179.01 180.32 1wen h SER 66 N -0.34 0.40 0.00 1.42 0.87 -1.91 -3.47 113.55 110.52 1wen h SER 66 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1wen h SER 66 Cb 0.35 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1wen h SER 66 CO 0.00 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.60 1wen n GLY 67 N -0.11 3.19 3.65 5.77 0.00 -1.23 -4.52 105.19 111.94 1wen n GLY 67 Ca -0.05 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.08 0.02 1.61 0.04 -1.26 -4.94 135.00 134.55 1wen s PRO 68 Ca 0.00 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 1wen s PRO 68 Cb 0.00 -3.95 -0.13 0.00 0.04 0.00 0.00 34.50 30.46 1wen s PRO 68 CO 0.00 -0.95 1.16 1.03 0.04 0.00 0.00 177.00 178.28 1wen h SER 69 N 9.57 -0.72 0.00 6.66 0.87 -2.02 -3.39 113.55 124.52 1wen h SER 69 Ca -0.34 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1wen h SER 69 Cb 1.15 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1wen h SER 69 CO 0.97 -0.44 -0.49 0.28 -0.53 0.00 0.00 176.83 176.62 1wen h SER 70 N -1.00 0.00 0.00 6.23 0.02 -1.97 -3.54 113.55 113.29 1wen h SER 70 Ca -0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1wen h SER 70 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1wen h SER 70 CO 0.14 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.20