#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 5.11 -0.13 1.61 0.01 -1.26 -5.08 113.70 113.96 1wen s SER 2 Ca 0.00 -0.83 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 1wen s SER 2 Cb 0.00 0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.20 1wen s SER 2 CO 0.00 -1.10 0.02 0.28 0.41 0.00 0.00 173.24 172.85 1wen h SER 3 N 0.48 0.00 0.00 2.44 0.02 -2.13 -3.51 113.55 110.86 1wen h SER 3 Ca -0.35 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1wen h SER 3 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1wen h SER 3 CO 0.47 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 1wen n GLY 4 N 1.65 2.09 2.79 -3.77 0.00 -1.26 -5.12 105.19 101.57 1wen n GLY 4 Ca -0.08 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1wen n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wen s SER 5 N 2.00 4.16 -0.15 1.61 0.15 -1.26 -5.10 113.70 115.11 1wen s SER 5 Ca 0.00 -1.77 -0.14 0.00 0.70 0.00 0.00 55.95 54.74 1wen s SER 5 Cb 0.00 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1wen s SER 5 CO 0.00 -0.40 0.41 -0.44 1.20 0.00 0.00 173.24 174.00 1wen s SER 6 N 1.44 -0.43 0.00 5.45 0.01 -1.26 -5.08 113.70 113.83 1wen s SER 6 Ca 0.10 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1wen s SER 6 Cb -0.18 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1wen s SER 6 CO -0.21 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wen n GLY 7 N 2.90 -1.15 2.69 3.44 0.00 -1.26 -5.03 105.19 106.78 1wen n GLY 7 Ca -0.13 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.00 3.41 -0.04 1.61 2.15 -1.26 -4.97 116.67 113.57 1wen s ASP 8 Ca 0.00 -3.41 -0.09 0.00 0.43 0.00 0.00 52.55 49.48 1wen s ASP 8 Cb 0.00 -1.12 -0.05 0.00 -0.30 0.00 0.00 42.92 41.45 1wen s ASP 8 CO 0.00 -0.14 0.42 0.24 -0.17 0.00 0.00 175.17 175.52 1wen h MET 9 N 5.65 -0.31 -6.25 4.34 2.86 -1.99 -3.44 114.93 115.80 1wen h MET 9 Ca 0.17 0.02 -0.55 0.00 -2.06 0.00 0.00 59.70 57.28 1wen h MET 9 Cb 0.83 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1wen h MET 9 CO 0.56 -0.20 1.00 -1.25 1.06 0.00 0.00 176.91 178.08 1wen s PRO 10 N -2.59 4.21 0.63 -0.22 0.04 -1.26 -5.02 135.00 130.79 1wen s PRO 10 Ca -0.05 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1wen s PRO 10 Cb 0.00 -3.86 0.06 0.00 0.04 0.00 0.00 34.50 30.74 1wen s PRO 10 CO 0.14 -0.77 0.89 0.14 0.04 0.00 0.00 177.00 177.44 1wen s VAL 11 N 3.65 2.46 -0.18 -0.36 -7.23 -1.26 -5.12 120.40 112.36 1wen s VAL 11 Ca 0.67 -0.51 -0.34 0.00 -1.81 0.00 0.00 61.98 59.99 1wen s VAL 11 Cb -0.30 -2.95 0.14 0.00 0.56 0.00 0.00 36.38 33.83 1wen s VAL 11 CO 0.25 0.00 1.18 -1.81 -0.31 0.00 0.00 175.10 174.41 1wen s ASP 12 N -4.50 -0.16 0.55 4.85 1.01 -1.26 -5.02 116.67 112.14 1wen s ASP 12 Ca 0.60 0.04 0.34 0.00 0.71 0.00 0.00 52.55 54.23 1wen s ASP 12 Cb -0.10 0.16 1.41 0.00 1.01 0.00 0.00 42.92 45.40 1wen s ASP 12 CO 0.41 -0.25 2.00 1.55 0.21 0.00 0.00 175.17 179.10 1wen h PRO 13 N 2.05 0.00 -0.90 8.23 0.13 -2.02 -3.27 132.00 136.21 1wen h PRO 13 Ca -0.11 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.18 1wen h PRO 13 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1wen h PRO 13 CO 0.24 0.00 -0.33 -0.91 -0.23 0.00 0.00 178.00 176.77 1wen h ASN 14 N 0.00 -1.22 -3.31 1.44 -0.26 -2.03 -3.36 115.58 106.84 1wen h ASN 14 Ca 0.00 0.29 -0.66 0.00 -0.56 0.00 0.00 56.30 55.36 1wen h ASN 14 Cb 0.49 0.67 -0.29 0.00 -1.06 0.00 0.00 38.32 38.13 1wen h ASN 14 CO 0.00 -0.30 -0.79 -1.61 -1.06 0.00 0.00 177.43 173.68 1wen s GLU 15 N -6.05 3.29 0.38 0.81 8.01 -1.24 -5.11 118.70 118.80 1wen s GLU 15 Ca -0.14 -0.72 -0.26 0.00 0.01 0.00 0.00 54.97 53.85 1wen s GLU 15 Cb 0.21 -2.62 -0.09 0.00 -4.31 0.00 0.00 34.13 27.32 1wen s GLU 15 CO 0.73 0.11 1.20 -1.25 0.01 0.00 0.00 175.26 176.06 1wen s PRO 16 N 0.59 4.13 -0.16 0.39 0.04 -1.26 -4.82 135.00 133.90 1wen s PRO 16 Ca -0.09 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wen s PRO 16 Cb -0.16 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1wen s PRO 16 CO 0.03 -0.28 0.07 0.95 0.04 0.00 0.00 177.00 177.81 1wen s THR 17 N -1.34 4.84 0.00 1.26 -4.23 -1.26 -4.25 115.64 110.66 1wen s THR 17 Ca 0.55 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1wen s THR 17 Cb -0.33 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 1wen s THR 17 CO 0.42 0.50 -0.03 -1.22 -0.54 0.00 0.00 174.62 173.75 1wen n TYR 18 N 3.13 0.00 -0.90 3.99 4.02 -1.24 -4.95 117.16 121.22 1wen n TYR 18 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.36 1wen n TYR 18 Cb 0.53 -0.05 0.08 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 -1.31 0.96 -0.52 0.00 4.07 -1.96 -2.19 115.31 114.36 1wen h LEU 20 Ca -0.44 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1wen h LEU 20 Cb 1.33 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wen h LEU 20 CO 0.28 0.99 0.14 0.00 -1.08 0.00 0.00 178.44 178.77 1wen n HIS 22 N -1.74 -2.01 -4.16 0.00 8.25 -0.82 -5.03 115.22 109.71 1wen n HIS 22 Ca -0.01 0.81 -0.25 0.00 -0.26 0.00 0.00 57.72 58.02 1wen n HIS 22 Cb 0.15 -4.52 -0.07 0.00 1.12 0.00 0.00 29.99 26.66 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 -5.43 2.22 0.78 -0.41 -0.21 -1.26 -4.91 119.66 110.44 1wen s GLN 23 Ca 0.15 -1.80 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 1wen s GLN 23 Cb -0.06 -1.99 0.06 0.00 1.00 0.00 0.00 33.01 32.01 1wen s GLN 23 CO 0.61 -0.06 1.09 0.14 -2.12 0.00 0.00 175.29 174.95 1wen s VAL 24 N -2.57 3.22 0.07 1.09 -7.23 -1.26 -3.67 120.40 110.05 1wen s VAL 24 Ca 0.40 0.39 -0.33 0.00 -1.81 0.00 0.00 61.98 60.64 1wen s VAL 24 Cb 0.03 -3.16 -0.12 0.00 0.56 0.00 0.00 36.38 33.69 1wen s VAL 24 CO 0.22 -0.52 1.78 -0.24 -0.31 0.00 0.00 175.10 176.04 1wen n SER 25 N -3.36 3.62 -3.58 4.85 2.88 -1.26 -4.94 113.62 111.82 1wen n SER 25 Ca 0.07 1.01 -0.06 0.00 -1.33 0.00 0.00 58.87 58.56 1wen n SER 25 Cb 0.56 -1.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 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 2.62 -0.24 0.33 0.66 -0.85 -1.26 -5.16 117.35 113.45 1wen s TYR 26 Ca 0.84 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 1wen s TYR 26 Cb -0.59 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.30 1wen s TYR 26 CO 0.41 -0.52 0.00 0.41 -1.52 0.00 0.00 175.55 174.33 1wen n GLY 27 N -0.28 -1.78 3.76 5.49 0.00 -1.26 -4.70 105.19 106.42 1wen n GLY 27 Ca -0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.50 4.18 0.22 1.61 2.02 -1.26 -4.97 118.70 117.99 1wen s GLU 28 Ca 0.00 2.47 0.02 0.00 0.02 0.00 0.00 54.97 57.48 1wen s GLU 28 Cb 0.00 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1wen s GLU 28 CO 0.00 -0.49 0.04 -1.64 0.02 0.00 0.00 175.26 173.19 1wen s MET 29 N -1.29 1.28 0.19 1.61 -1.94 -1.26 -2.34 119.30 115.55 1wen s MET 29 Ca 0.56 -1.66 0.02 0.00 -1.71 0.00 0.00 55.69 52.90 1wen s MET 29 Cb -0.45 -0.31 -0.05 0.00 2.01 0.00 0.00 34.83 36.03 1wen s MET 29 CO 0.54 -0.20 0.02 0.96 -0.01 0.00 0.00 175.02 176.33 1wen s ILE 30 N -3.67 0.66 -0.37 2.53 -0.00 -1.19 -4.96 121.20 114.20 1wen s ILE 30 Ca 0.31 -1.99 -0.04 0.00 -0.00 0.00 0.00 60.65 58.93 1wen s ILE 30 Cb 0.07 -2.23 0.08 0.00 -0.00 0.00 0.00 42.46 40.37 1wen s ILE 30 CO 0.09 -0.37 0.13 -0.83 -0.00 0.00 0.00 174.94 173.96 1wen s GLY 31 N -3.20 1.89 0.11 6.27 0.00 -1.26 -3.58 107.32 107.55 1wen s GLY 31 Ca 0.27 -2.13 -0.35 0.00 0.00 0.00 0.00 44.72 42.51 1wen s GLY 31 CO 0.06 0.88 1.01 0.00 0.00 0.00 0.00 173.10 175.05 1wen h ASP 33 N 2.82 0.64 -2.02 0.00 5.19 -1.92 -3.43 116.42 117.69 1wen h ASP 33 Ca -0.43 -0.17 -0.60 0.00 -0.62 0.00 0.00 57.03 55.21 1wen h ASP 33 Cb 1.39 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.75 1wen h ASP 33 CO 0.66 0.77 1.22 -3.20 -3.12 0.00 0.00 179.24 175.57 1wen n ASN 34 N -4.19 3.50 0.22 6.45 5.15 -1.26 -4.85 115.26 120.27 1wen n ASN 34 Ca 0.01 0.80 0.09 0.00 -0.60 0.00 0.00 54.58 54.87 1wen n ASN 34 Cb 0.33 -1.43 0.47 0.00 -0.53 0.00 0.00 39.78 38.63 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 10.70 0.00 -0.05 1.20 0.13 -2.01 -3.05 132.00 138.92 1wen h PRO 35 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 1wen h PRO 35 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wen h PRO 35 CO 0.95 0.26 -0.94 -0.44 -0.23 0.00 0.00 178.00 177.61 1wen h ASP 36 N 0.00 0.85 -1.65 1.44 3.32 -1.96 -3.46 116.42 114.95 1wen h ASP 36 Ca -0.00 -0.64 -0.49 0.00 0.02 0.00 0.00 57.03 55.92 1wen h ASP 36 Cb 0.69 -0.26 0.16 0.00 0.22 0.00 0.00 39.33 40.14 1wen h ASP 36 CO 0.03 1.44 -1.04 0.00 -1.72 0.00 0.00 179.24 177.96 1wen n SER 38 N 2.18 2.16 0.03 0.00 7.64 -1.26 -4.67 113.62 119.70 1wen n SER 38 Ca 0.05 -0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 1wen n SER 38 Cb 0.40 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 1wen n SER 38 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1wen h ILE 39 N -0.23 1.14 -6.53 0.44 2.04 -1.93 -3.46 117.51 108.98 1wen h ILE 39 Ca -0.49 -1.10 -0.45 0.00 1.00 0.00 0.00 64.86 63.82 1wen h ILE 39 Cb 1.65 1.83 -0.27 0.00 -0.74 0.00 0.00 36.82 39.28 1wen h ILE 39 CO -0.15 0.26 -0.65 -0.62 0.00 0.00 0.00 178.15 176.99 1wen n GLU 40 N -4.91 -1.51 -3.53 2.37 1.02 -1.26 -4.85 120.64 107.97 1wen n GLU 40 Ca -0.08 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1wen n GLU 40 Cb 0.27 -4.69 -0.05 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.91 -0.84 0.36 -0.32 0.52 -1.24 -3.70 118.94 110.81 1wen s TRP 41 Ca 0.60 1.50 0.01 0.00 0.02 0.00 0.00 56.10 58.23 1wen s TRP 41 Cb -0.35 0.50 -0.00 0.00 -1.15 0.00 0.00 33.47 32.47 1wen s TRP 41 CO 0.73 -0.41 0.44 -0.06 0.02 0.00 0.00 176.95 177.67 1wen s PHE 42 N 2.26 1.32 -0.14 -1.98 0.40 -1.23 -3.53 117.98 115.07 1wen s PHE 42 Ca -0.05 -1.45 -0.03 0.00 -0.60 0.00 0.00 56.93 54.80 1wen s PHE 42 Cb -0.07 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.17 1wen s PHE 42 CO -0.17 -1.11 -0.03 -1.01 0.70 0.00 0.00 175.22 173.60 1wen s HIS 43 N -3.01 3.03 0.02 0.36 3.76 -1.26 -3.19 115.29 115.00 1wen s HIS 43 Ca 0.34 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 55.00 1wen s HIS 43 Cb -0.00 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1wen s HIS 43 CO 0.24 0.07 1.08 0.74 -0.85 0.00 0.00 174.74 176.02 1wen h PHE 44 N 6.36 -0.28 -0.90 1.40 -1.00 -1.79 0.21 116.94 120.95 1wen h PHE 44 Ca -0.35 0.02 0.16 0.00 2.81 0.00 0.00 57.97 60.60 1wen h PHE 44 Cb 1.19 0.13 -0.16 0.00 3.61 0.00 0.00 35.95 40.72 1wen h PHE 44 CO 0.55 -0.07 -0.32 0.00 -1.61 0.00 0.00 178.31 176.86 1wen h ALA 45 N -0.97 0.29 -0.01 2.45 0.00 -1.87 0.11 119.26 119.26 1wen h ALA 45 Ca 0.02 0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1wen h ALA 45 Cb 0.08 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1wen h ALA 45 CO -0.11 -0.55 -0.22 0.00 0.00 0.00 0.00 179.25 178.37 1wen n VAL 47 N -5.35 1.53 -3.95 0.00 0.24 0.64 -4.86 118.33 106.58 1wen n VAL 47 Ca -0.05 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.34 61.51 1wen n VAL 47 Cb 0.26 -1.02 0.01 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 0.41 -0.58 3.02 7.63 0.00 -0.34 -4.87 105.19 110.46 1wen n GLY 48 Ca 0.10 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.60 5.12 0.32 0.99 1.43 -0.23 -4.93 118.68 114.78 1wen s LEU 49 Ca 0.32 -3.54 0.11 0.00 -1.03 0.00 0.00 54.13 49.99 1wen s LEU 49 Cb -0.18 -1.78 0.96 0.00 0.03 0.00 0.00 46.19 45.22 1wen s LEU 49 CO 0.67 -0.19 1.68 0.74 0.23 0.00 0.00 176.35 179.48 1wen h THR 50 N 4.54 0.38 -3.99 5.49 2.02 -1.89 -3.41 112.91 116.04 1wen h THR 50 Ca 0.10 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 1wen h THR 50 Cb 0.83 -0.04 -0.14 0.00 -1.74 0.00 0.00 68.15 67.06 1wen h THR 50 CO 0.77 0.07 -0.43 0.42 0.37 0.00 0.00 175.52 176.71 1wen s THR 51 N -5.75 0.12 -0.16 3.16 -4.23 -1.26 -5.07 115.64 102.45 1wen s THR 51 Ca -0.11 -1.45 -0.37 0.00 -1.18 0.00 0.00 61.69 58.58 1wen s THR 51 Cb 0.28 -1.67 -0.14 0.00 1.34 0.00 0.00 72.50 72.32 1wen s THR 51 CO 0.79 -0.53 1.77 1.17 -0.54 0.00 0.00 174.62 177.28 1wen n LYS 52 N -0.10 1.61 -2.25 3.99 4.81 -1.26 -4.91 118.16 120.04 1wen n LYS 52 Ca -0.10 0.59 -0.39 0.00 -0.87 0.00 0.00 58.31 57.54 1wen n LYS 52 Cb 0.63 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.32 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 3.43 4.08 0.75 1.64 0.04 -1.26 -5.05 135.00 138.63 1wen s PRO 53 Ca 0.94 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.88 1wen s PRO 53 Cb -0.89 -2.73 0.15 0.00 0.04 0.00 0.00 34.50 31.07 1wen s PRO 53 CO 0.58 -0.32 1.03 1.03 0.04 0.00 0.00 177.00 179.36 1wen s ARG 54 N -2.23 1.50 2.71 4.56 1.81 -1.26 -4.92 118.95 121.12 1wen s ARG 54 Ca 0.56 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1wen s ARG 54 Cb -0.32 -2.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 1wen s ARG 54 CO 0.41 -1.59 0.00 0.41 -0.68 0.00 0.00 175.30 173.85 1wen n GLY 55 N -2.92 2.90 3.67 -3.53 0.00 -1.26 -4.41 105.19 99.65 1wen n GLY 55 Ca 0.17 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 3.14 -0.15 1.61 -2.85 -1.26 -5.10 119.74 115.13 1wen s LYS 56 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1wen s LYS 56 Cb 0.00 -2.86 0.02 0.00 -2.06 0.00 0.00 37.83 32.94 1wen s LYS 56 CO 0.00 0.63 -0.14 -0.46 0.10 0.00 0.00 175.35 175.48 1wen s TRP 57 N -0.68 2.18 -0.26 1.78 -0.00 -1.26 -5.07 118.94 115.63 1wen s TRP 57 Ca 0.11 -1.24 -0.08 0.00 -0.00 0.00 0.00 56.10 54.89 1wen s TRP 57 Cb -0.12 -1.60 -0.03 0.00 -0.00 0.00 0.00 33.47 31.73 1wen s TRP 57 CO 0.02 -0.67 0.09 -0.06 -0.00 0.00 0.00 176.95 176.33 1wen s PHE 58 N 1.48 3.10 0.74 5.86 0.08 -1.26 -2.68 117.98 125.31 1wen s PHE 58 Ca 0.05 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1wen s PHE 58 Cb -0.13 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.99 1wen s PHE 58 CO -0.11 -0.34 0.23 0.00 -0.10 0.00 0.00 175.22 174.91 1wen n PRO 60 N -0.01 0.48 -0.01 0.00 -0.04 -1.26 -2.09 135.00 132.06 1wen n PRO 60 Ca 0.08 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1wen n PRO 60 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.01 0.66 -0.10 0.54 5.12 -1.26 -4.21 116.66 116.39 1wen n ARG 61 Ca 0.12 -0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.79 1wen n ARG 61 Cb 0.06 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 29.71 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wen h SER 63 N -1.00 0.30 -0.07 0.00 0.87 -1.72 0.19 113.55 112.12 1wen h SER 63 Ca -0.26 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1wen h SER 63 Cb 1.10 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1wen h SER 63 CO -0.16 -0.05 0.02 1.67 -0.53 0.00 0.00 176.83 177.78 1wen n GLN 64 N -4.60 1.22 -0.13 2.24 -0.06 -1.26 -3.86 117.38 110.92 1wen n GLN 64 Ca 0.31 -0.32 -0.18 0.00 -2.00 0.00 0.00 57.00 54.81 1wen n GLN 64 Cb 1.20 -1.19 -0.12 0.00 -4.06 0.00 0.00 30.24 26.07 1wen n GLN 64 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1wen n GLU 65 N 1.46 0.65 -3.85 3.69 0.28 0.65 -4.97 120.64 118.55 1wen n GLU 65 Ca 0.09 0.15 -0.34 0.00 -0.16 0.00 0.00 57.16 56.90 1wen n GLU 65 Cb 0.55 -1.52 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 1wen n GLU 65 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wen s SER 66 N -6.53 6.42 1.00 -1.84 0.15 -1.25 -5.08 113.70 106.57 1wen s SER 66 Ca -0.35 0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 1wen s SER 66 Cb 0.09 -2.04 0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1wen s SER 66 CO 0.60 0.26 0.12 0.61 1.20 0.00 0.00 173.24 176.04 1wen n GLY 67 N 1.04 -2.43 3.71 9.45 0.00 -1.26 -4.88 105.19 110.82 1wen n GLY 67 Ca -0.11 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.38 4.33 0.41 1.61 0.04 -1.26 -5.03 135.00 131.72 1wen s PRO 68 Ca 0.54 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.65 1wen s PRO 68 Cb -0.17 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1wen s PRO 68 CO 0.69 -0.44 0.59 -1.12 0.04 0.00 0.00 177.00 176.76 1wen s SER 69 N 1.21 5.82 -0.16 6.66 0.01 -1.26 -5.10 113.70 120.88 1wen s SER 69 Ca 0.64 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.89 1wen s SER 69 Cb -0.35 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 1wen s SER 69 CO 0.30 -0.63 -0.11 -0.94 0.41 0.00 0.00 173.24 172.27 1wen s SER 70 N -4.23 4.07 0.00 2.44 1.04 -1.26 -5.31 113.70 110.44 1wen s SER 70 Ca 0.48 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wen s SER 70 Cb -0.10 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.38 1wen s SER 70 CO 0.35 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.28