#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wew s SER 2 N 0.00 -0.67 0.04 1.61 0.15 -1.26 -5.17 113.70 108.40 1wew s SER 2 Ca 0.00 1.18 0.01 0.00 0.70 0.00 0.00 55.95 57.84 1wew s SER 2 Cb 0.00 1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1wew s SER 2 CO 0.00 -0.21 -0.06 -0.55 1.20 0.00 0.00 173.24 173.62 1wew s SER 3 N 1.02 0.63 0.07 5.45 0.15 -1.26 -5.16 113.70 114.60 1wew s SER 3 Ca -0.06 -0.58 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 1wew s SER 3 Cb -0.06 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1wew s SER 3 CO -0.09 -0.28 0.12 0.61 1.20 0.00 0.00 173.24 174.80 1wew n GLY 4 N 1.35 2.46 3.66 9.45 0.00 -1.26 -5.19 105.19 115.66 1wew n GLY 4 Ca -0.22 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1wew n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wew s SER 5 N -1.42 0.43 0.02 1.61 0.01 -1.26 -5.18 113.70 107.91 1wew s SER 5 Ca 0.05 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1wew s SER 5 Cb -0.01 0.76 -0.02 0.00 0.21 0.00 0.00 66.02 66.97 1wew s SER 5 CO 0.03 -1.50 -0.03 -0.94 0.41 0.00 0.00 173.24 171.21 1wew s SER 6 N -3.14 0.29 -0.31 2.44 1.04 -1.26 -5.07 113.70 107.69 1wew s SER 6 Ca 0.22 -0.50 0.17 0.00 0.48 0.00 0.00 55.95 56.32 1wew s SER 6 Cb -0.03 0.09 0.45 0.00 0.10 0.00 0.00 66.02 66.64 1wew s SER 6 CO 0.15 -0.29 1.28 0.61 0.98 0.00 0.00 173.24 175.98 1wew n GLY 7 N 1.60 1.79 3.59 7.32 0.00 -1.26 -5.09 105.19 113.14 1wew n GLY 7 Ca -0.24 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1wew n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wew s GLU 8 N -1.78 2.97 -0.02 1.61 2.12 -1.26 -4.96 118.70 117.38 1wew s GLU 8 Ca 0.20 1.52 -0.14 0.00 0.36 0.00 0.00 54.97 56.91 1wew s GLU 8 Cb 0.40 -4.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1wew s GLU 8 CO -0.07 -2.29 0.37 -0.51 -0.54 0.00 0.00 175.26 172.22 1wew s ASP 9 N 8.10 6.74 0.00 -1.70 1.01 -1.26 -4.96 116.67 124.60 1wew s ASP 9 Ca 0.88 0.88 0.09 0.00 0.71 0.00 0.00 52.55 55.11 1wew s ASP 9 Cb -0.24 -2.22 0.53 0.00 1.01 0.00 0.00 42.92 42.00 1wew s ASP 9 CO 0.31 0.33 0.98 -0.81 0.21 0.00 0.00 175.17 176.19 1wew n PRO 10 N 1.88 0.49 -1.64 8.23 -0.04 -1.26 -3.34 135.00 139.32 1wew n PRO 10 Ca -0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 1wew n PRO 10 Cb 0.53 -1.29 0.06 0.00 -0.04 0.00 0.00 33.50 32.76 1wew n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wew n PHE 11 N -0.79 3.12 -4.97 0.54 3.01 -1.26 -4.95 117.46 112.17 1wew n PHE 11 Ca 0.07 -2.75 -0.27 0.00 1.01 0.00 0.00 57.45 55.51 1wew n PHE 11 Cb 0.03 -1.19 -0.16 0.00 -0.01 0.00 0.00 39.48 38.15 1wew n PHE 11 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1wew s GLN 12 N -3.87 1.91 0.97 -1.08 -2.07 -1.21 -5.14 119.66 109.17 1wew s GLN 12 Ca 0.59 -0.70 -0.16 0.00 -1.82 0.00 0.00 55.36 53.26 1wew s GLN 12 Cb 0.47 -1.69 0.24 0.00 -1.09 0.00 0.00 33.01 30.94 1wew s GLN 12 CO -0.14 0.32 0.86 -0.35 -1.32 0.00 0.00 175.29 174.66 1wew n PRO 13 N 2.96 -2.70 -2.72 9.60 -0.04 -1.26 -4.91 135.00 135.93 1wew n PRO 13 Ca -0.17 -1.37 -0.43 0.00 -0.04 0.00 0.00 63.50 61.48 1wew n PRO 13 Cb 0.53 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1wew n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wew n GLU 14 N -4.13 3.32 -3.68 0.54 -0.58 -1.26 -4.98 120.64 109.86 1wew n GLU 14 Ca 0.12 -3.59 -0.25 0.00 -0.42 0.00 0.00 57.16 53.03 1wew n GLU 14 Cb 0.46 -3.19 -0.02 0.00 -0.57 0.00 0.00 31.44 28.12 1wew n GLU 14 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wew s ILE 15 N 2.36 5.19 0.04 -3.67 1.01 -1.26 -5.04 121.20 119.84 1wew s ILE 15 Ca 0.46 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1wew s ILE 15 Cb 0.01 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1wew s ILE 15 CO 0.02 -0.31 -0.02 1.17 0.00 0.00 0.00 174.94 175.80 1wew n LYS 16 N -1.14 0.03 -2.24 2.79 3.00 -1.26 -5.04 118.16 114.29 1wew n LYS 16 Ca -0.06 0.01 -0.05 0.00 -0.00 0.00 0.00 58.31 58.22 1wew n LYS 16 Cb 0.55 -0.56 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1wew n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1wew n VAL 17 N -3.36 -2.70 -0.88 3.15 0.31 -1.24 -4.90 118.33 108.71 1wew n VAL 17 Ca -0.02 -0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 63.81 1wew n VAL 17 Cb 0.24 -3.69 0.07 0.00 -0.91 0.00 0.00 33.84 29.55 1wew n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wew n ARG 18 N -2.00 2.03 -0.69 5.55 1.74 -0.91 -4.57 116.66 117.81 1wew n ARG 18 Ca -0.06 -2.10 -0.31 0.00 -0.77 0.00 0.00 57.85 54.61 1wew n ARG 18 Cb 0.54 -1.82 0.15 0.00 -1.02 0.00 0.00 32.46 30.31 1wew n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wew h VAL 20 N -2.05 0.74 -0.12 0.00 -1.51 -1.93 -3.33 116.25 108.04 1wew h VAL 20 Ca -0.48 -2.44 0.04 0.00 -1.23 0.00 0.00 66.70 62.58 1wew h VAL 20 Cb 1.28 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1wew h VAL 20 CO 0.33 0.42 0.20 0.00 -1.23 0.00 0.00 177.57 177.29 1wew n GLY 22 N -1.32 3.29 3.77 0.00 0.00 -1.25 -5.06 105.19 104.63 1wew n GLY 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1wew n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wew s ASN 23 N -0.55 6.61 -0.39 1.61 -0.87 -1.26 -4.96 114.94 115.13 1wew s ASN 23 Ca 0.00 2.24 0.05 0.00 -1.57 0.00 0.00 52.86 53.58 1wew s ASN 23 Cb 0.00 -2.60 0.47 0.00 -0.02 0.00 0.00 41.25 39.09 1wew s ASN 23 CO 0.00 -0.61 1.47 -1.20 -2.57 0.00 0.00 177.10 174.19 1wew n SER 24 N 0.05 4.97 -4.76 -1.22 7.64 -1.26 -4.46 113.62 114.57 1wew n SER 24 Ca 0.04 -3.78 -0.25 0.00 1.01 0.00 0.00 58.87 55.90 1wew n SER 24 Cb 0.47 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1wew n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wew s LEU 25 N -3.57 3.65 0.03 -3.43 0.05 -1.26 -4.97 118.68 109.18 1wew s LEU 25 Ca 0.53 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.47 1wew s LEU 25 Cb 0.43 -2.25 -0.04 0.00 -2.05 0.00 0.00 46.19 42.29 1wew s LEU 25 CO 0.01 0.05 0.07 -1.61 -0.55 0.00 0.00 176.35 174.32 1wew s GLU 26 N -3.25 2.97 0.48 1.48 2.02 -1.26 -4.92 118.70 116.21 1wew s GLU 26 Ca 0.31 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 54.76 1wew s GLU 26 Cb -0.09 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 1wew s GLU 26 CO 0.22 0.62 0.05 0.95 0.02 0.00 0.00 175.26 177.12 1wew s THR 27 N -1.25 1.54 0.27 3.63 -4.23 -1.26 -5.03 115.64 109.31 1wew s THR 27 Ca 0.25 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1wew s THR 27 Cb -0.12 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.49 1wew s THR 27 CO 0.16 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.46 1wew h ASP 28 N 1.44 0.62 -4.44 3.99 3.32 -2.05 -3.40 116.42 115.89 1wew h ASP 28 Ca -0.43 0.09 -0.62 0.00 0.02 0.00 0.00 57.03 56.08 1wew h ASP 28 Cb 1.29 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.52 1wew h ASP 28 CO 0.75 0.27 -0.86 -0.94 -1.72 0.00 0.00 179.24 176.73 1wew s SER 29 N -5.46 2.58 0.09 6.45 1.04 -1.26 -5.14 113.70 112.00 1wew s SER 29 Ca -0.12 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 55.71 1wew s SER 29 Cb 0.22 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1wew s SER 29 CO 0.79 0.26 0.44 -0.04 0.98 0.00 0.00 173.24 175.66 1wew s MET 30 N -0.61 1.04 -0.08 4.02 -1.94 -1.26 -3.73 119.30 116.73 1wew s MET 30 Ca 0.08 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 1wew s MET 30 Cb -0.09 0.46 -0.02 0.00 2.01 0.00 0.00 34.83 37.20 1wew s MET 30 CO -0.00 -0.39 -0.14 0.96 -0.01 0.00 0.00 175.02 175.44 1wew s ILE 31 N -3.22 3.08 -0.19 2.53 -4.36 -0.73 -4.92 121.20 113.39 1wew s ILE 31 Ca -0.01 -0.69 -0.08 0.00 -0.26 0.00 0.00 60.65 59.61 1wew s ILE 31 Cb 0.01 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1wew s ILE 31 CO -0.08 0.56 0.08 -1.58 0.24 0.00 0.00 174.94 174.16 1wew s GLN 32 N -0.30 4.02 0.89 0.37 0.74 -1.26 -1.52 119.66 122.60 1wew s GLN 32 Ca 0.02 -0.31 -0.13 0.00 0.05 0.00 0.00 55.36 54.99 1wew s GLN 32 Cb -0.13 -3.26 0.05 0.00 1.10 0.00 0.00 33.01 30.77 1wew s GLN 32 CO 0.03 0.29 0.66 0.00 -0.55 0.00 0.00 175.29 175.72 1wew h GLU 34 N -1.35 0.00 -4.63 0.00 4.22 -1.61 -3.41 114.58 107.80 1wew h GLU 34 Ca -0.44 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.48 1wew h GLU 34 Cb 1.29 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.63 1wew h GLU 34 CO 0.38 0.42 -0.40 -3.47 -2.18 0.00 0.00 179.01 173.77 1wew n ASP 35 N -4.71 -0.94 0.01 1.04 -0.08 -1.26 -4.74 116.55 105.87 1wew n ASP 35 Ca -0.04 0.87 -0.13 0.00 -1.51 0.00 0.00 54.79 53.98 1wew n ASP 35 Cb 0.20 -0.73 -0.09 0.00 2.34 0.00 0.00 41.12 42.84 1wew n ASP 35 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wew h PRO 36 N 0.82 -0.07 -0.42 -0.67 0.13 -2.01 -1.84 132.00 127.95 1wew h PRO 36 Ca -0.22 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1wew h PRO 36 Cb 1.11 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1wew h PRO 36 CO 0.44 0.40 0.15 0.00 -0.23 0.00 0.00 178.00 178.76 1wew h ARG 37 N -0.56 0.63 0.00 0.86 3.08 -2.00 -3.31 114.38 113.09 1wew h ARG 37 Ca -0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1wew h ARG 37 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wew h ARG 37 CO 0.01 0.61 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 1wew n HIS 39 N -1.94 -1.28 -3.08 0.00 8.25 -0.69 -4.91 115.22 111.56 1wew n HIS 39 Ca 0.00 0.64 -0.23 0.00 -0.26 0.00 0.00 57.72 57.86 1wew n HIS 39 Cb 0.00 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.40 1wew n HIS 39 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wew s VAL 40 N -4.15 4.38 -0.10 1.59 -7.23 -1.26 -4.68 120.40 108.95 1wew s VAL 40 Ca 0.16 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1wew s VAL 40 Cb -0.09 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 1wew s VAL 40 CO 1.00 -0.43 -0.13 0.26 -0.31 0.00 0.00 175.10 175.48 1wew s TRP 41 N -2.50 2.78 -0.03 2.82 0.52 -1.26 -0.91 118.94 120.36 1wew s TRP 41 Ca 0.46 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 56.17 1wew s TRP 41 Cb -0.10 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1wew s TRP 41 CO 0.38 -0.03 -0.04 -0.65 0.02 0.00 0.00 176.95 176.63 1wew s GLN 42 N -0.13 0.63 0.63 4.98 -0.21 -0.58 -2.13 119.66 122.85 1wew s GLN 42 Ca -0.01 -0.08 -0.17 0.00 0.02 0.00 0.00 55.36 55.12 1wew s GLN 42 Cb -0.14 -0.67 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 1wew s GLN 42 CO 0.03 -0.05 0.33 0.72 -2.12 0.00 0.00 175.29 174.20 1wew n HIS 43 N 3.85 -1.38 0.08 0.91 8.25 -1.26 -1.77 115.22 123.90 1wew n HIS 43 Ca -0.24 0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 57.39 1wew n HIS 43 Cb 0.52 -1.86 -0.12 0.00 1.12 0.00 0.00 29.99 29.64 1wew n HIS 43 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wew h VAL 44 N -0.07 1.29 -0.55 1.59 2.07 -1.92 -3.28 116.25 115.38 1wew h VAL 44 Ca -0.45 -2.39 -0.33 0.00 0.82 0.00 0.00 66.70 64.35 1wew h VAL 44 Cb 1.39 2.62 -0.17 0.00 -1.52 0.00 0.00 31.29 33.61 1wew h VAL 44 CO 0.43 0.73 0.42 0.61 0.02 0.00 0.00 177.57 179.79 1wew n GLY 45 N 1.30 3.85 1.23 2.17 0.00 -1.26 -3.13 105.19 109.36 1wew n GLY 45 Ca -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1wew n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wew n VAL 47 N -3.24 1.54 -2.29 0.00 0.24 -1.25 -4.94 118.33 108.39 1wew n VAL 47 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1wew n VAL 47 Cb 0.17 -1.62 -0.03 0.00 -1.47 0.00 0.00 33.84 30.90 1wew n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wew s ILE 48 N -2.51 3.53 0.01 1.34 -1.09 -1.18 -4.94 121.20 116.35 1wew s ILE 48 Ca -0.34 1.18 -0.33 0.00 -2.23 0.00 0.00 60.65 58.92 1wew s ILE 48 Cb 0.10 -3.75 -0.12 0.00 -1.58 0.00 0.00 42.46 37.12 1wew s ILE 48 CO 0.59 0.14 1.84 0.18 -1.23 0.00 0.00 174.94 176.45 1wew n LEU 49 N 3.26 3.59 -4.55 2.97 4.77 -1.26 -4.62 117.00 121.16 1wew n LEU 49 Ca 0.08 0.98 -0.38 0.00 -0.03 0.00 0.00 56.01 56.66 1wew n LEU 49 Cb 0.44 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1wew n LEU 49 CO 0.57 -0.02 1.59 -2.16 -1.33 0.00 0.00 177.39 176.04 1wew s PRO 50 N 3.40 2.62 -0.15 3.23 0.04 -1.26 -4.95 135.00 137.93 1wew s PRO 50 Ca 0.88 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 1wew s PRO 50 Cb -0.62 -4.43 0.03 0.00 0.04 0.00 0.00 34.50 29.52 1wew s PRO 50 CO 0.46 -2.78 -0.08 -0.51 0.04 0.00 0.00 177.00 174.13 1wew s ASP 51 N 8.08 2.66 0.10 6.66 1.11 -1.26 -5.02 116.67 128.99 1wew s ASP 51 Ca 0.67 -0.54 -0.22 0.00 0.18 0.00 0.00 52.55 52.64 1wew s ASP 51 Cb -0.12 -0.96 -0.12 0.00 1.07 0.00 0.00 42.92 42.78 1wew s ASP 51 CO 0.19 -0.14 1.74 0.50 1.18 0.00 0.00 175.17 178.64 1wew h LYS 52 N 8.11 0.09 -0.12 8.23 3.11 -2.02 -2.65 116.57 131.33 1wew h LYS 52 Ca -0.29 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.50 1wew h LYS 52 Cb 1.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1wew h LYS 52 CO 0.43 0.08 -0.11 -1.00 -2.81 0.00 0.00 179.45 176.04 1wew h PRO 53 N 0.08 0.29 -0.88 1.90 0.13 -2.01 -3.21 132.00 128.29 1wew h PRO 53 Ca 0.03 -0.15 0.22 0.00 -0.87 0.00 0.00 66.00 65.22 1wew h PRO 53 Cb 0.01 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 1wew h PRO 53 CO -0.01 0.69 0.36 1.98 -0.23 0.00 0.00 178.00 180.79 1wew h MET 54 N -0.11 0.36 -0.87 0.86 4.05 -1.87 -0.65 114.93 116.70 1wew h MET 54 Ca 0.02 -0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.64 1wew h MET 54 Cb 0.63 -0.08 -0.16 0.00 -0.80 0.00 0.00 31.60 31.19 1wew h MET 54 CO 0.03 0.23 -0.06 -0.25 0.23 0.00 0.00 176.91 177.09 1wew n ASP 55 N -5.07 -0.17 0.00 1.39 8.00 -1.00 -2.04 116.55 117.65 1wew n ASP 55 Ca 0.21 1.49 0.00 0.00 0.71 0.00 0.00 54.79 57.20 1wew n ASP 55 Cb 0.65 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1wew n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wew n GLY 56 N -1.48 -3.38 3.53 0.44 0.00 -0.25 -4.65 105.19 99.41 1wew n GLY 56 Ca 0.18 0.52 -0.16 0.00 0.00 0.00 0.00 46.02 46.56 1wew n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wew s ASN 57 N -2.68 -0.61 0.67 1.61 4.22 -0.87 -4.28 114.94 113.00 1wew s ASN 57 Ca 0.00 0.64 -0.15 0.00 -2.14 0.00 0.00 52.86 51.21 1wew s ASN 57 Cb 0.00 0.50 0.00 0.00 1.28 0.00 0.00 41.25 43.03 1wew s ASN 57 CO 0.00 -0.58 1.11 -2.16 -2.04 0.00 0.00 177.10 173.43 1wew s PRO 58 N -1.27 2.76 1.18 3.55 0.04 -1.26 -4.83 135.00 135.17 1wew s PRO 58 Ca -0.09 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.14 1wew s PRO 58 Cb -0.00 -1.95 0.28 0.00 0.04 0.00 0.00 34.50 32.87 1wew s PRO 58 CO 0.08 -1.28 1.11 -1.25 0.04 0.00 0.00 177.00 175.70 1wew s PRO 59 N -4.15 -1.07 0.57 0.56 0.04 -1.26 -4.80 135.00 124.89 1wew s PRO 59 Ca 0.67 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.51 1wew s PRO 59 Cb -0.20 -1.61 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 1wew s PRO 59 CO 0.42 -3.62 -0.19 1.47 0.04 0.00 0.00 177.00 175.12 1wew n LEU 60 N -4.70 -3.84 -4.57 -3.56 -0.00 -1.26 -4.75 117.00 94.32 1wew n LEU 60 Ca 0.12 0.59 -0.40 0.00 -0.00 0.00 0.00 56.01 56.33 1wew n LEU 60 Cb 0.59 -0.85 -0.03 0.00 -0.00 0.00 0.00 43.42 43.14 1wew n LEU 60 CO 0.46 -4.90 1.55 -2.16 -0.00 0.00 0.00 177.39 172.34 1wew s PRO 61 N -1.18 2.92 0.22 1.47 0.04 -1.26 -4.86 135.00 132.35 1wew s PRO 61 Ca 0.55 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1wew s PRO 61 Cb -0.45 -4.30 0.51 0.00 0.04 0.00 0.00 34.50 30.30 1wew s PRO 61 CO 0.68 -2.37 1.15 0.39 0.04 0.00 0.00 177.00 176.88 1wew n GLU 62 N 8.87 -0.06 -3.76 4.56 1.02 -1.26 -3.26 120.64 126.75 1wew n GLU 62 Ca 0.21 1.11 -0.37 0.00 -0.02 0.00 0.00 57.16 58.08 1wew n GLU 62 Cb 0.50 -1.74 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 1wew n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wew s SER 63 N -5.04 5.28 -0.11 1.62 1.04 -1.26 -4.91 113.70 110.32 1wew s SER 63 Ca -0.10 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 54.86 1wew s SER 63 Cb 0.21 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.47 1wew s SER 63 CO 0.57 -0.42 -0.20 0.12 0.98 0.00 0.00 173.24 174.29 1wew s PHE 64 N 1.30 2.64 -0.24 5.02 2.19 -1.20 -4.98 117.98 122.71 1wew s PHE 64 Ca 0.01 -0.88 -0.05 0.00 0.33 0.00 0.00 56.93 56.34 1wew s PHE 64 Cb -0.21 -1.75 -0.00 0.00 -1.31 0.00 0.00 43.02 39.75 1wew s PHE 64 CO -0.00 -0.33 -0.01 0.71 1.83 0.00 0.00 175.22 177.42 1wew s TYR 65 N 0.29 3.02 0.98 10.12 2.02 -1.26 -1.47 117.35 131.05 1wew s TYR 65 Ca -0.15 -0.96 -0.14 0.00 -0.37 0.00 0.00 57.07 55.45 1wew s TYR 65 Cb -0.17 -2.14 0.23 0.00 -0.40 0.00 0.00 41.96 39.47 1wew s TYR 65 CO 0.07 -0.55 0.51 0.00 -1.57 0.00 0.00 175.55 174.01 1wew n GLU 67 N -3.02 0.15 0.02 0.00 0.28 -1.26 -1.62 120.64 115.18 1wew n GLU 67 Ca 0.08 0.32 -0.17 0.00 -0.16 0.00 0.00 57.16 57.23 1wew n GLU 67 Cb 0.35 -1.75 -0.14 0.00 1.43 0.00 0.00 31.44 31.33 1wew n GLU 67 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1wew h ILE 68 N 0.00 0.83 0.18 3.84 2.04 -1.98 -3.28 117.51 119.14 1wew h ILE 68 Ca 0.00 -2.56 -0.31 0.00 1.00 0.00 0.00 64.86 63.00 1wew h ILE 68 Cb 0.41 2.56 0.03 0.00 -0.74 0.00 0.00 36.82 39.07 1wew h ILE 68 CO 0.00 0.77 -1.35 0.00 0.00 0.00 0.00 178.15 177.57 1wew h ARG 70 N 0.15 1.24 0.00 0.00 0.11 -1.48 -1.41 114.38 112.99 1wew h ARG 70 Ca -0.20 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 59.77 1wew h ARG 70 Cb 2.04 -0.27 -0.00 0.00 1.11 0.00 0.00 29.97 32.84 1wew h ARG 70 CO 0.24 0.83 -0.12 1.37 0.10 0.00 0.00 179.97 182.40 1wew h LEU 71 N 1.27 0.00 -6.93 0.08 8.10 -1.64 -3.34 115.31 112.86 1wew h LEU 71 Ca 0.34 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.72 1wew h LEU 71 Cb -0.12 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.70 1wew h LEU 71 CO -0.07 0.12 -0.75 0.28 -4.11 0.00 0.00 178.44 173.90 1wew s THR 72 N -4.61 1.23 -0.33 0.15 -1.32 -0.54 -5.09 115.64 105.13 1wew s THR 72 Ca -0.04 -2.45 -0.11 0.00 -1.21 0.00 0.00 61.69 57.88 1wew s THR 72 Cb 0.15 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1wew s THR 72 CO 0.65 -0.91 0.18 -0.94 -2.21 0.00 0.00 174.62 171.39 1wew s SER 73 N 0.43 5.68 0.00 8.08 1.04 -1.19 -4.78 113.70 122.96 1wew s SER 73 Ca 0.18 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1wew s SER 73 Cb -0.24 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1wew s SER 73 CO -0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wew n GLY 74 N 5.01 -1.03 0.00 7.32 0.00 -1.26 -4.79 105.19 110.43 1wew n GLY 74 Ca -0.13 -1.33 0.03 0.00 0.00 0.00 0.00 46.02 44.59 1wew n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wew n PRO 75 N 0.00 0.49 -0.90 1.61 -0.04 -1.26 -4.89 135.00 130.01 1wew n PRO 75 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1wew n PRO 75 Cb 0.00 -1.18 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 1wew n PRO 75 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wew n SER 76 N -0.68 0.20 0.06 3.54 3.41 -1.26 -4.87 113.62 114.01 1wew n SER 76 Ca 0.04 0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 59.26 1wew n SER 76 Cb 0.02 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 1wew n SER 76 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wew h SER 77 N 2.05 -0.21 0.00 4.04 0.87 -2.03 -3.53 113.55 114.73 1wew h SER 77 Ca -0.28 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1wew h SER 77 Cb 0.81 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1wew h SER 77 CO 0.43 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.64