#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi0 n SER 2 N 0.00 -3.10 -4.92 1.61 7.64 -1.26 -5.13 113.62 108.45 1wi0 n SER 2 Ca 0.00 0.75 -0.28 0.00 1.01 0.00 0.00 58.87 60.35 1wi0 n SER 2 Cb 0.00 2.96 -0.03 0.00 -1.01 0.00 0.00 64.21 66.13 1wi0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wi0 s SER 3 N -2.61 6.39 0.00 6.43 0.01 -1.26 -4.97 113.70 117.69 1wi0 s SER 3 Ca 0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1wi0 s SER 3 Cb 0.00 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1wi0 s SER 3 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1wi0 n GLY 4 N -0.50 -0.82 3.32 3.44 0.00 -1.26 -5.18 105.19 104.19 1wi0 n GLY 4 Ca -0.05 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1wi0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi0 s SER 5 N 0.00 2.82 -0.30 1.61 0.15 -1.26 -5.13 113.70 111.59 1wi0 s SER 5 Ca 0.00 -0.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.82 1wi0 s SER 5 Cb 0.00 -0.17 0.16 0.00 -1.71 0.00 0.00 66.02 64.30 1wi0 s SER 5 CO 0.00 0.10 0.87 -0.55 1.20 0.00 0.00 173.24 174.86 1wi0 s SER 6 N -1.98 -0.80 0.69 5.45 0.15 -1.26 -5.16 113.70 110.79 1wi0 s SER 6 Ca 0.09 0.90 -0.14 0.00 0.70 0.00 0.00 55.95 57.51 1wi0 s SER 6 Cb -0.10 1.83 0.02 0.00 -1.71 0.00 0.00 66.02 66.06 1wi0 s SER 6 CO 0.05 -0.15 1.11 -0.83 1.20 0.00 0.00 173.24 174.62 1wi0 s GLY 7 N 2.68 2.05 0.24 9.45 0.00 -1.26 -4.99 107.32 115.50 1wi0 s GLY 7 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.93 1wi0 s GLY 7 CO -0.17 0.86 1.09 2.56 0.00 0.00 0.00 173.10 177.44 1wi0 s PRO 8 N -4.27 4.63 1.14 2.90 0.04 -1.26 -5.02 135.00 133.17 1wi0 s PRO 8 Ca 0.66 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 63.33 1wi0 s PRO 8 Cb -0.20 -3.23 0.27 0.00 0.04 0.00 0.00 34.50 31.38 1wi0 s PRO 8 CO 0.45 0.18 1.04 -0.06 0.04 0.00 0.00 177.00 178.64 1wi0 s PHE 9 N -0.81 1.49 -1.46 0.56 0.08 -1.26 -4.85 117.98 111.73 1wi0 s PHE 9 Ca 0.46 1.11 -0.08 0.00 0.12 0.00 0.00 56.93 58.54 1wi0 s PHE 9 Cb -0.31 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 1wi0 s PHE 9 CO 0.38 -3.73 2.57 0.00 -0.10 0.00 0.00 175.22 174.34 1wi0 s ALA 11 N 0.69 -2.09 0.30 0.00 0.00 -1.26 -5.09 121.76 114.31 1wi0 s ALA 11 Ca 0.59 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.34 1wi0 s ALA 11 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1wi0 s ALA 11 CO -0.07 -0.23 0.00 -0.12 0.00 0.00 0.00 175.76 175.34 1wi0 n MET 12 N 0.83 0.00 -1.06 0.00 1.56 -1.26 -5.11 117.12 112.08 1wi0 n MET 12 Ca -0.05 0.00 0.13 0.00 -0.27 0.00 0.00 57.70 57.52 1wi0 n MET 12 Cb 0.58 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.89 1wi0 n MET 12 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1wi0 n GLU 13 N -3.24 -2.37 0.32 2.12 2.13 -1.26 -4.66 120.64 113.67 1wi0 n GLU 13 Ca 0.00 1.87 -0.12 0.00 0.66 0.00 0.00 57.16 59.56 1wi0 n GLU 13 Cb 0.00 -2.80 -0.06 0.00 0.27 0.00 0.00 31.44 28.85 1wi0 n GLU 13 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1wi0 h ASN 14 N -1.03 -0.69 -3.93 4.31 -1.24 -2.05 -3.45 115.58 107.52 1wi0 h ASN 14 Ca -0.11 0.02 -0.35 0.00 0.71 0.00 0.00 56.30 56.58 1wi0 h ASN 14 Cb 1.00 0.18 -0.29 0.00 0.73 0.00 0.00 38.32 39.94 1wi0 h ASN 14 CO 0.05 -0.45 -0.76 -1.58 -1.29 0.00 0.00 177.43 173.39 1wi0 s GLN 15 N -4.57 0.52 0.34 6.67 0.74 -1.26 -5.15 119.66 116.94 1wi0 s GLN 15 Ca -0.12 -0.22 -0.06 0.00 0.05 0.00 0.00 55.36 55.01 1wi0 s GLN 15 Cb 0.01 -0.50 0.01 0.00 1.10 0.00 0.00 33.01 33.63 1wi0 s GLN 15 CO 0.36 0.13 0.52 0.14 -0.55 0.00 0.00 175.29 175.89 1wi0 s VAL 16 N -0.11 0.00 0.04 1.34 -7.23 -1.26 -5.04 120.40 108.14 1wi0 s VAL 16 Ca 0.02 -1.48 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1wi0 s VAL 16 Cb -0.03 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1wi0 s VAL 16 CO -0.00 0.00 0.52 -0.22 -0.31 0.00 0.00 175.10 175.09 1wi0 s LEU 17 N -3.18 4.50 -0.16 1.32 2.96 0.22 -4.95 118.68 119.38 1wi0 s LEU 17 Ca 0.27 1.16 -0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1wi0 s LEU 17 Cb -0.01 -2.81 0.04 0.00 0.50 0.00 0.00 46.19 43.91 1wi0 s LEU 17 CO 0.17 0.27 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.73 1wi0 s VAL 18 N -0.98 1.11 -0.28 1.68 1.01 -1.26 0.66 120.40 122.33 1wi0 s VAL 18 Ca 0.28 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1wi0 s VAL 18 Cb -0.19 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1wi0 s VAL 18 CO 0.17 0.13 0.39 -0.63 0.00 0.00 0.00 175.10 175.16 1wi0 s ILE 19 N 1.63 5.16 -0.53 2.22 1.01 -0.85 0.07 121.20 129.93 1wi0 s ILE 19 Ca 0.01 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 1wi0 s ILE 19 Cb -0.15 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1wi0 s ILE 19 CO -0.08 0.12 0.57 -0.60 0.00 0.00 0.00 174.94 174.96 1wi0 s ARG 20 N 2.10 3.04 -0.14 2.79 3.52 -0.34 -0.25 118.95 129.68 1wi0 s ARG 20 Ca 0.15 -1.26 -0.26 0.00 -0.13 0.00 0.00 55.73 54.23 1wi0 s ARG 20 Cb -0.16 -4.19 -0.02 0.00 -1.56 0.00 0.00 34.95 29.03 1wi0 s ARG 20 CO 0.10 -1.28 0.87 0.42 -0.81 0.00 0.00 175.30 174.59 1wi0 s ILE 21 N 2.24 4.87 -0.60 4.11 1.09 0.25 -0.38 121.20 132.79 1wi0 s ILE 21 Ca 0.09 1.73 -0.27 0.00 -1.10 0.00 0.00 60.65 61.11 1wi0 s ILE 21 Cb -0.24 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 36.97 1wi0 s ILE 21 CO 0.08 0.05 1.79 -0.54 -0.10 0.00 0.00 174.94 176.22 1wi0 s LYS 22 N 1.94 2.75 0.28 2.79 -0.14 -0.40 -1.98 119.74 124.97 1wi0 s LYS 22 Ca 0.41 0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 55.34 1wi0 s LYS 22 Cb -0.17 -4.35 -0.09 0.00 -1.68 0.00 0.00 37.83 31.54 1wi0 s LYS 22 CO 0.15 -2.59 1.00 0.42 -0.76 0.00 0.00 175.35 173.57 1wi0 s ILE 23 N 8.54 3.88 -0.28 2.17 -1.09 -0.42 -4.62 121.20 129.38 1wi0 s ILE 23 Ca 0.65 1.81 -0.29 0.00 -2.23 0.00 0.00 60.65 60.59 1wi0 s ILE 23 Cb -0.13 -4.12 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1wi0 s ILE 23 CO 0.21 0.37 1.34 -2.16 -1.23 0.00 0.00 174.94 173.48 1wi0 s PRO 24 N -1.48 3.92 -1.17 2.79 0.04 -1.26 -3.75 135.00 134.08 1wi0 s PRO 24 Ca 0.45 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1wi0 s PRO 24 Cb -0.27 -3.89 0.02 0.00 0.04 0.00 0.00 34.50 30.40 1wi0 s PRO 24 CO 0.33 -1.12 0.73 0.09 0.04 0.00 0.00 177.00 177.07 1wi0 n ASN 25 N 7.68 -4.70 -1.25 6.66 4.13 -1.26 -4.81 115.26 121.71 1wi0 n ASN 25 Ca 0.15 -1.17 -0.00 0.00 1.68 0.00 0.00 54.58 55.24 1wi0 n ASN 25 Cb 0.46 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.30 1wi0 n ASN 25 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wi0 n SER 26 N -2.38 -0.10 0.00 6.41 7.64 -1.25 -5.13 113.62 118.82 1wi0 n SER 26 Ca -0.10 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1wi0 n SER 26 Cb 0.58 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1wi0 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 27 N -0.08 3.02 3.30 0.23 0.00 -1.26 -4.75 105.19 105.64 1wi0 n GLY 27 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1wi0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi0 s ALA 28 N -2.00 -0.96 0.02 4.61 0.00 -1.26 -1.30 121.76 120.87 1wi0 s ALA 28 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1wi0 s ALA 28 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1wi0 s ALA 28 CO 0.00 -0.33 -0.02 0.08 0.00 0.00 0.00 175.76 175.49 1wi0 s VAL 29 N -1.64 3.97 -0.22 0.00 1.01 -0.84 -4.91 120.40 117.77 1wi0 s VAL 29 Ca -0.11 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1wi0 s VAL 29 Cb -0.03 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1wi0 s VAL 29 CO 0.03 0.33 0.05 1.51 0.00 0.00 0.00 175.10 177.02 1wi0 s ASP 30 N -1.67 5.10 -0.37 3.32 -4.77 -1.26 -0.58 116.67 116.44 1wi0 s ASP 30 Ca 0.20 -0.16 -0.15 0.00 -3.30 0.00 0.00 52.55 49.13 1wi0 s ASP 30 Cb -0.11 -1.90 -0.00 0.00 -1.09 0.00 0.00 42.92 39.82 1wi0 s ASP 30 CO 0.11 0.03 0.36 0.86 0.70 0.00 0.00 175.17 177.23 1wi0 s TRP 31 N 1.24 3.20 -0.40 2.11 -0.00 0.66 -4.91 118.94 120.85 1wi0 s TRP 31 Ca 0.04 -0.20 -0.28 0.00 -0.00 0.00 0.00 56.10 55.66 1wi0 s TRP 31 Cb -0.15 -2.70 -0.01 0.00 -0.00 0.00 0.00 33.47 30.61 1wi0 s TRP 31 CO 0.03 -0.51 1.72 -0.08 -0.00 0.00 0.00 176.95 178.11 1wi0 s THR 32 N 1.98 3.55 -0.25 5.86 -1.32 -1.26 -2.00 115.64 122.20 1wi0 s THR 32 Ca 0.10 0.53 -0.03 0.00 -1.21 0.00 0.00 61.69 61.08 1wi0 s THR 32 Cb -0.17 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.02 1wi0 s THR 32 CO 0.12 -0.57 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.23 1wi0 s VAL 33 N 6.94 3.16 -0.11 5.08 1.01 0.21 -4.94 120.40 131.75 1wi0 s VAL 33 Ca 0.74 -0.81 0.20 0.00 0.00 0.00 0.00 61.98 62.10 1wi0 s VAL 33 Cb -0.19 -2.55 -0.25 0.00 0.00 0.00 0.00 36.38 33.38 1wi0 s VAL 33 CO 0.31 0.26 0.47 1.41 0.00 0.00 0.00 175.10 177.55 1wi0 n HIS 34 N 4.74 0.24 -1.74 5.22 8.25 -1.26 0.71 115.22 131.37 1wi0 n HIS 34 Ca -0.17 0.07 -0.38 0.00 -0.26 0.00 0.00 57.72 56.99 1wi0 n HIS 34 Cb 0.48 -0.77 0.05 0.00 1.12 0.00 0.00 29.99 30.88 1wi0 n HIS 34 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wi0 n SER 35 N -2.53 7.48 -0.35 0.41 7.64 -1.26 -4.78 113.62 120.24 1wi0 n SER 35 Ca -0.12 -3.82 0.02 0.00 1.01 0.00 0.00 58.87 55.96 1wi0 n SER 35 Cb 0.77 -1.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1wi0 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 36 N -0.67 -1.77 0.18 0.23 0.00 -1.26 0.47 105.19 102.37 1wi0 n GLY 36 Ca 0.56 1.02 -0.15 0.00 0.00 0.00 0.00 46.02 47.46 1wi0 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi0 h PRO 37 N 0.00 0.53 -1.44 1.61 0.13 -1.97 -3.18 132.00 127.69 1wi0 h PRO 37 Ca 0.38 -0.51 -0.31 0.00 -0.87 0.00 0.00 66.00 64.68 1wi0 h PRO 37 Cb 0.61 0.13 -0.14 0.00 0.13 0.00 0.00 31.00 31.74 1wi0 h PRO 37 CO -0.94 1.15 0.40 0.94 -0.23 0.00 0.00 178.00 179.32 1wi0 n GLN 38 N -3.82 1.77 -4.48 0.86 7.27 0.18 -4.87 117.38 114.29 1wi0 n GLN 38 Ca -0.07 -1.55 -0.34 0.00 0.07 0.00 0.00 57.00 55.11 1wi0 n GLN 38 Cb 0.80 -1.61 -0.10 0.00 2.41 0.00 0.00 30.24 31.74 1wi0 n GLN 38 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1wi0 s LEU 39 N -1.79 3.37 0.31 1.69 2.96 0.10 -4.84 118.68 120.49 1wi0 s LEU 39 Ca 0.30 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 1wi0 s LEU 39 Cb 0.24 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1wi0 s LEU 39 CO 0.00 0.35 0.00 -0.76 -1.32 0.00 0.00 176.35 174.63 1wi0 s LEU 40 N -0.96 3.06 0.08 -0.68 1.43 -1.26 -4.92 118.68 115.43 1wi0 s LEU 40 Ca 0.14 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 1wi0 s LEU 40 Cb -0.11 -1.52 -0.16 0.00 0.03 0.00 0.00 46.19 44.42 1wi0 s LEU 40 CO 0.03 -0.13 1.69 0.15 0.23 0.00 0.00 176.35 178.33 1wi0 h PHE 41 N 1.85 -0.28 -0.46 0.29 3.57 -1.91 -2.89 116.94 117.10 1wi0 h PHE 41 Ca -0.43 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1wi0 h PHE 41 Cb 1.25 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.99 1wi0 h PHE 41 CO 0.70 -0.17 -0.17 0.00 -2.23 0.00 0.00 178.31 176.44 1wi0 h ARG 42 N -0.31 -0.07 -0.89 1.11 2.47 -1.96 -0.28 114.38 114.45 1wi0 h ARG 42 Ca -0.03 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.86 1wi0 h ARG 42 Cb 0.24 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.41 1wi0 h ARG 42 CO 0.05 -0.04 -0.29 -0.44 0.56 0.00 0.00 179.97 179.81 1wi0 h ASP 43 N -0.07 -1.07 -0.57 7.04 5.19 -1.92 1.87 116.42 126.89 1wi0 h ASP 43 Ca 0.22 0.28 0.09 0.00 -0.62 0.00 0.00 57.03 57.00 1wi0 h ASP 43 Cb 0.41 0.62 -0.07 0.00 0.18 0.00 0.00 39.33 40.47 1wi0 h ASP 43 CO -0.51 -0.30 0.18 0.58 -3.12 0.00 0.00 179.24 176.08 1wi0 h VAL 44 N -0.02 0.75 -0.23 -1.35 2.07 -0.94 0.56 116.25 117.08 1wi0 h VAL 44 Ca 0.38 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 1wi0 h VAL 44 Cb 0.63 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1wi0 h VAL 44 CO -0.91 0.06 -0.27 -0.07 0.02 0.00 0.00 177.57 176.40 1wi0 h LEU 45 N 0.35 0.46 -1.41 2.57 -0.00 0.17 0.59 115.31 118.03 1wi0 h LEU 45 Ca 0.29 -0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.96 1wi0 h LEU 45 Cb 0.37 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1wi0 h LEU 45 CO -0.32 0.72 -0.23 0.44 -0.00 0.00 0.00 178.44 179.06 1wi0 h ASP 46 N 0.40 0.00 0.00 -0.43 3.32 0.51 -1.20 116.42 119.02 1wi0 h ASP 46 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1wi0 h ASP 46 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1wi0 h ASP 46 CO 0.05 0.23 -0.40 0.58 -1.72 0.00 0.00 179.24 177.99 1wi0 h VAL 47 N 0.00 0.00 -1.00 -1.35 2.07 0.85 -3.37 116.25 113.45 1wi0 h VAL 47 Ca -0.00 -0.99 0.33 0.00 0.82 0.00 0.00 66.70 66.86 1wi0 h VAL 47 Cb 0.60 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.22 1wi0 h VAL 47 CO 0.03 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.58 1wi0 h ILE 48 N -0.99 0.28 -0.98 4.57 2.04 0.11 1.41 117.51 123.95 1wi0 h ILE 48 Ca 0.00 -0.10 0.25 0.00 1.00 0.00 0.00 64.86 66.00 1wi0 h ILE 48 Cb 0.40 -0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.36 1wi0 h ILE 48 CO 0.00 0.06 0.65 1.23 0.00 0.00 0.00 178.15 180.09 1wi0 h GLY 49 N 0.30 0.80 1.87 5.37 0.00 -1.37 1.25 103.07 111.29 1wi0 h GLY 49 Ca 0.74 -0.15 -0.23 0.00 0.00 0.00 0.00 47.33 47.69 1wi0 h GLY 49 CO -0.62 -0.05 -1.07 1.46 0.00 0.00 0.00 176.54 176.27 1wi0 h GLN 50 N 0.32 0.10 -0.06 4.80 4.20 0.18 -2.75 115.11 121.89 1wi0 h GLN 50 Ca 0.52 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.89 1wi0 h GLN 50 Cb 1.46 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.31 1wi0 h GLN 50 CO -0.18 1.06 -0.61 0.28 -0.67 0.00 0.00 178.83 178.72 1wi0 h VAL 51 N 0.03 1.37 -2.86 -0.54 2.07 0.46 -3.37 116.25 113.41 1wi0 h VAL 51 Ca -0.05 -1.96 -0.61 0.00 0.82 0.00 0.00 66.70 64.89 1wi0 h VAL 51 Cb 1.81 2.34 -0.42 0.00 -1.52 0.00 0.00 31.29 33.50 1wi0 h VAL 51 CO 0.15 0.59 -0.59 0.18 0.02 0.00 0.00 177.57 177.92 1wi0 n LEU 52 N -4.17 3.11 0.24 2.57 4.32 0.38 -4.87 117.00 118.57 1wi0 n LEU 52 Ca -0.09 -5.25 0.13 0.00 -0.02 0.00 0.00 56.01 50.78 1wi0 n LEU 52 Cb 0.66 -0.70 0.40 0.00 -1.62 0.00 0.00 43.42 42.16 1wi0 n LEU 52 CO 0.48 1.83 0.86 1.55 -1.22 0.00 0.00 177.39 180.88 1wi0 h PRO 53 N 5.11 0.00 -0.26 3.23 0.13 -1.66 -2.72 132.00 135.83 1wi0 h PRO 53 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1wi0 h PRO 53 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1wi0 h PRO 53 CO 0.74 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 1wi0 n GLU 54 N -3.15 2.43 -3.05 0.86 1.02 -1.26 -4.60 120.64 112.90 1wi0 n GLU 54 Ca 0.02 -2.13 -0.15 0.00 -0.02 0.00 0.00 57.16 54.88 1wi0 n GLU 54 Cb 0.44 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi0 n ALA 55 N 1.41 0.31 -0.85 0.62 0.00 -1.03 -5.14 120.51 115.83 1wi0 n ALA 55 Ca 0.18 -2.01 -0.35 0.00 0.00 0.00 0.00 53.44 51.26 1wi0 n ALA 55 Cb 0.60 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 19.00 1wi0 n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wi0 n THR 56 N 2.80 0.00 -3.66 0.00 -1.04 -1.21 -4.69 114.28 106.49 1wi0 n THR 56 Ca 0.23 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1wi0 n THR 56 Cb 0.53 -0.31 -0.08 0.00 -1.82 0.00 0.00 70.33 68.65 1wi0 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wi0 s THR 57 N -2.14 -0.00 -0.05 12.58 2.01 -1.26 -3.96 115.64 122.82 1wi0 s THR 57 Ca 0.47 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1wi0 s THR 57 Cb -0.06 -0.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.50 1wi0 s THR 57 CO 0.68 0.00 0.04 0.41 -0.69 0.00 0.00 174.62 175.07 1wi0 n THR 58 N 3.26 0.37 -4.31 -0.82 -1.04 -1.26 -4.79 114.28 105.69 1wi0 n THR 58 Ca -0.16 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.05 61.43 1wi0 n THR 58 Cb 0.56 -0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1wi0 n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wi0 s ALA 59 N -2.19 1.73 0.03 2.41 0.00 -1.26 -4.88 121.76 117.60 1wi0 s ALA 59 Ca -0.03 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 1wi0 s ALA 59 Cb 0.02 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.27 1wi0 s ALA 59 CO 0.26 -0.47 0.46 -0.59 0.00 0.00 0.00 175.76 175.41 1wi0 s PHE 60 N -3.76 -0.35 0.18 0.00 -0.71 -1.07 -2.06 117.98 110.21 1wi0 s PHE 60 Ca 0.37 0.40 0.06 0.00 -1.04 0.00 0.00 56.93 56.73 1wi0 s PHE 60 Cb 0.07 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1wi0 s PHE 60 CO 0.14 -0.58 0.10 -1.21 -1.34 0.00 0.00 175.22 172.33 1wi0 s GLU 61 N -2.19 2.74 -0.14 1.99 2.02 -0.20 -0.00 118.70 122.92 1wi0 s GLU 61 Ca -0.07 -0.97 -0.07 0.00 0.02 0.00 0.00 54.97 53.88 1wi0 s GLU 61 Cb -0.01 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.73 1wi0 s GLU 61 CO -0.00 0.47 0.33 1.52 0.02 0.00 0.00 175.26 177.60 1wi0 s TYR 62 N -1.79 -0.49 0.10 1.61 -0.85 -0.97 -0.28 117.35 114.68 1wi0 s TYR 62 Ca 0.30 1.07 -0.33 0.00 -0.52 0.00 0.00 57.07 57.59 1wi0 s TYR 62 Cb -0.10 0.15 -0.12 0.00 0.38 0.00 0.00 41.96 42.27 1wi0 s TYR 62 CO 0.22 -0.31 1.73 0.39 -1.52 0.00 0.00 175.55 176.06 1wi0 n GLU 63 N 4.43 2.37 -1.65 -3.49 1.02 -1.24 -0.52 120.64 121.55 1wi0 n GLU 63 Ca -0.22 0.86 -0.12 0.00 -0.02 0.00 0.00 57.16 57.67 1wi0 n GLU 63 Cb 0.53 -2.69 0.06 0.00 -0.02 0.00 0.00 31.44 29.33 1wi0 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1wi0 n ASP 64 N 4.79 0.73 -0.08 1.62 5.75 -1.26 -4.83 116.55 123.26 1wi0 n ASP 64 Ca 0.18 -1.60 0.12 0.00 -0.01 0.00 0.00 54.79 53.48 1wi0 n ASP 64 Cb 0.32 -0.32 0.50 0.00 -1.03 0.00 0.00 41.12 40.59 1wi0 n ASP 64 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1wi0 h GLU 65 N 0.00 0.40 -0.64 0.11 4.11 -1.98 0.63 114.58 117.21 1wi0 h GLU 65 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1wi0 h GLU 65 Cb 0.62 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wi0 h GLU 65 CO 0.18 0.26 0.00 -0.25 0.07 0.00 0.00 179.01 179.28 1wi0 n ASP 66 N -4.47 3.95 -4.04 3.06 9.92 -1.26 -4.94 116.55 118.77 1wi0 n ASP 66 Ca 0.09 -2.43 -0.39 0.00 -0.53 0.00 0.00 54.79 51.53 1wi0 n ASP 66 Cb 0.36 -0.54 0.01 0.00 -0.64 0.00 0.00 41.12 40.31 1wi0 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wi0 n GLY 67 N 0.82 -0.65 0.40 0.44 0.00 0.22 -4.81 105.19 101.62 1wi0 n GLY 67 Ca 0.20 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.53 1wi0 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wi0 n ASP 68 N -1.68 1.98 -2.52 1.61 -0.08 -1.26 -4.83 116.55 109.77 1wi0 n ASP 68 Ca -0.11 -1.52 -0.03 0.00 -1.51 0.00 0.00 54.79 51.62 1wi0 n ASP 68 Cb 0.48 -0.04 -0.03 0.00 2.34 0.00 0.00 41.12 43.87 1wi0 n ASP 68 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wi0 n ARG 69 N 0.46 -4.46 -2.22 -0.67 5.12 -1.26 -4.92 116.66 108.71 1wi0 n ARG 69 Ca 0.06 3.32 -0.27 0.00 -1.93 0.00 0.00 57.85 59.03 1wi0 n ARG 69 Cb 0.26 -4.51 0.15 0.00 -1.16 0.00 0.00 32.46 27.21 1wi0 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wi0 s ILE 70 N -0.57 2.05 -0.23 0.55 -1.09 0.32 -4.78 121.20 117.45 1wi0 s ILE 70 Ca -0.16 -0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1wi0 s ILE 70 Cb 0.01 -2.79 0.07 0.00 -1.58 0.00 0.00 42.46 38.18 1wi0 s ILE 70 CO 0.43 0.00 0.08 -0.89 -1.23 0.00 0.00 174.94 173.32 1wi0 s THR 71 N -3.58 0.30 -0.50 2.92 2.01 -1.26 -2.30 115.64 113.24 1wi0 s THR 71 Ca 0.71 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1wi0 s THR 71 Cb -0.04 -1.01 0.04 0.00 0.01 0.00 0.00 72.50 71.49 1wi0 s THR 71 CO 0.49 -0.41 0.86 -0.69 -0.69 0.00 0.00 174.62 174.18 1wi0 s VAL 72 N 1.94 4.52 -0.17 3.82 1.01 1.00 -4.79 120.40 127.73 1wi0 s VAL 72 Ca 0.04 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1wi0 s VAL 72 Cb -0.17 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1wi0 s VAL 72 CO -0.17 -0.92 0.41 0.54 0.00 0.00 0.00 175.10 174.96 1wi0 n ARG 73 N 7.07 1.38 -3.76 2.72 1.74 -1.26 -2.61 116.66 121.94 1wi0 n ARG 73 Ca 0.02 -0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 56.58 1wi0 n ARG 73 Cb 0.48 -0.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.96 1wi0 n ARG 73 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wi0 s SER 74 N -0.43 -0.09 0.37 0.55 0.15 -1.26 -5.01 113.70 107.99 1wi0 s SER 74 Ca 0.02 -0.51 0.12 0.00 0.70 0.00 0.00 55.95 56.28 1wi0 s SER 74 Cb 0.01 0.44 0.92 0.00 -1.71 0.00 0.00 66.02 65.68 1wi0 s SER 74 CO 0.03 -0.84 1.84 -0.78 1.20 0.00 0.00 173.24 174.69 1wi0 h ASP 75 N 2.50 0.57 0.10 5.45 1.82 -1.98 -1.58 116.42 123.30 1wi0 h ASP 75 Ca -0.33 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.38 1wi0 h ASP 75 Cb 1.23 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 41.15 1wi0 h ASP 75 CO 0.49 0.24 -0.48 -0.08 -1.61 0.00 0.00 179.24 177.80 1wi0 h GLU 76 N 0.58 -0.65 -0.97 0.28 4.81 -2.00 -0.64 114.58 115.99 1wi0 h GLU 76 Ca 0.50 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.93 1wi0 h GLU 76 Cb 0.99 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 1wi0 h GLU 76 CO -0.24 -0.43 0.58 0.93 -0.73 0.00 0.00 179.01 179.12 1wi0 h GLU 77 N -0.67 0.79 0.05 1.92 3.07 -1.67 -2.10 114.58 115.97 1wi0 h GLU 77 Ca -0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1wi0 h GLU 77 Cb 0.68 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1wi0 h GLU 77 CO -0.27 0.52 -0.09 0.52 -1.40 0.00 0.00 179.01 178.30 1wi0 h MET 78 N 0.81 -0.14 -1.00 2.33 2.86 -0.61 0.47 114.93 119.66 1wi0 h MET 78 Ca 0.53 0.01 0.34 0.00 -2.06 0.00 0.00 59.70 58.52 1wi0 h MET 78 Cb 0.71 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 32.24 1wi0 h MET 78 CO -0.34 -0.10 0.53 0.87 1.06 0.00 0.00 176.91 178.94 1wi0 h LYS 79 N -0.15 0.22 0.47 1.72 1.57 -0.86 0.59 116.57 120.13 1wi0 h LYS 79 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wi0 h LYS 79 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1wi0 h LYS 79 CO -0.03 0.14 -0.23 0.00 -0.57 0.00 0.00 179.45 178.77 1wi0 h ALA 80 N 1.89 -0.63 -1.01 3.86 0.00 -0.64 1.02 119.26 123.76 1wi0 h ALA 80 Ca 0.75 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.70 1wi0 h ALA 80 Cb 1.79 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.72 1wi0 h ALA 80 CO -0.66 -0.81 0.61 1.98 0.00 0.00 0.00 179.25 180.37 1wi0 h MET 81 N -0.73 0.73 -0.05 0.00 1.85 0.49 0.22 114.93 117.45 1wi0 h MET 81 Ca -0.06 -0.04 -0.24 0.00 -0.61 0.00 0.00 59.70 58.74 1wi0 h MET 81 Cb 0.53 -0.17 0.02 0.00 0.43 0.00 0.00 31.60 32.41 1wi0 h MET 81 CO 0.11 0.49 -0.90 -0.07 -0.40 0.00 0.00 176.91 176.14 1wi0 h LEU 82 N 0.76 0.87 -2.06 3.39 3.38 -0.53 -0.82 115.31 120.29 1wi0 h LEU 82 Ca 0.58 -0.71 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wi0 h LEU 82 Cb 0.92 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1wi0 h LEU 82 CO -0.39 1.45 0.13 0.28 0.09 0.00 0.00 178.44 180.01 1wi0 h SER 83 N 0.36 0.00 0.00 -0.43 0.02 0.35 -1.80 113.55 112.05 1wi0 h SER 83 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1wi0 h SER 83 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1wi0 h SER 83 CO 0.18 0.00 -0.22 0.22 -1.14 0.00 0.00 176.83 175.87 1wi0 h TYR 84 N 0.00 0.00 -0.93 3.45 3.20 -0.59 -2.88 116.97 119.22 1wi0 h TYR 84 Ca 0.08 0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.19 1wi0 h TYR 84 Cb 0.35 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.45 1wi0 h TYR 84 CO 0.00 0.00 -0.05 0.98 -1.64 0.00 0.00 178.16 177.45 1wi0 n TYR 85 N -4.43 0.53 -0.00 -3.82 9.36 -0.32 0.20 117.16 118.67 1wi0 n TYR 85 Ca -0.03 1.12 -0.10 0.00 3.32 0.00 0.00 57.90 62.22 1wi0 n TYR 85 Cb 0.11 -1.16 0.05 0.00 -0.63 0.00 0.00 39.34 37.71 1wi0 n TYR 85 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1wi0 h TYR 86 N 0.00 0.73 0.00 2.98 0.05 -1.50 1.66 116.97 120.89 1wi0 h TYR 86 Ca 0.53 -0.26 -0.06 0.00 0.05 0.00 0.00 58.73 58.99 1wi0 h TYR 86 Cb 1.04 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 1wi0 h TYR 86 CO -0.54 1.00 -0.30 0.77 -1.05 0.00 0.00 178.16 178.05 1wi0 h SER 87 N 0.44 0.00 0.13 3.88 0.02 0.24 -0.35 113.55 117.91 1wi0 h SER 87 Ca 0.01 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 1wi0 h SER 87 Cb 1.11 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.59 1wi0 h SER 87 CO 0.11 0.30 -2.20 1.07 -1.14 0.00 0.00 176.83 174.96 1wi0 n THR 88 N -4.04 1.53 0.14 -2.27 5.66 0.26 -4.13 114.28 111.42 1wi0 n THR 88 Ca -0.02 -0.74 -0.14 0.00 -3.05 0.00 0.00 64.05 60.10 1wi0 n THR 88 Cb 0.36 -1.03 -0.08 0.00 -1.55 0.00 0.00 70.33 68.03 1wi0 n THR 88 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1wi0 h VAL 89 N 0.01 0.81 -0.63 1.08 2.07 0.26 -1.81 116.25 118.04 1wi0 h VAL 89 Ca -0.48 -0.19 0.18 0.00 0.82 0.00 0.00 66.70 67.03 1wi0 h VAL 89 Cb 2.08 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1wi0 h VAL 89 CO 0.02 0.04 0.57 0.00 0.02 0.00 0.00 177.57 178.22 1wi0 h MET 90 N -0.40 0.00 -0.10 1.57 -0.00 -1.26 0.24 114.93 114.98 1wi0 h MET 90 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.54 1wi0 h MET 90 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1wi0 h MET 90 CO 0.05 0.00 -0.45 0.93 -0.00 0.00 0.00 176.91 177.44 1wi0 h GLU 91 N 0.00 0.49 -0.29 -0.10 4.39 -1.50 -2.87 114.58 114.70 1wi0 h GLU 91 Ca 0.30 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1wi0 h GLU 91 Cb 1.43 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1wi0 h GLU 91 CO -0.00 1.02 0.20 1.96 -1.16 0.00 0.00 179.01 181.02 1wi0 h GLN 92 N 0.07 0.24 -0.34 2.33 4.20 -0.01 0.74 115.11 122.35 1wi0 h GLN 92 Ca -0.03 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1wi0 h GLN 92 Cb 1.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1wi0 h GLN 92 CO 0.09 0.16 -0.17 1.96 -0.67 0.00 0.00 178.83 180.20 1wi0 h GLN 93 N 0.25 0.71 0.00 1.46 4.20 -1.32 -0.67 115.11 119.73 1wi0 h GLN 93 Ca 0.12 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 1wi0 h GLN 93 Cb 0.18 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1wi0 h GLN 93 CO -0.02 0.92 -0.47 -0.39 -0.67 0.00 0.00 178.83 178.20 1wi0 h VAL 94 N 0.48 0.89 0.28 -0.54 -1.51 -1.02 -3.32 116.25 111.51 1wi0 h VAL 94 Ca 0.07 -1.99 -0.01 0.00 -1.23 0.00 0.00 66.70 63.54 1wi0 h VAL 94 Cb 0.71 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1wi0 h VAL 94 CO 0.05 0.46 -0.13 0.78 -1.23 0.00 0.00 177.57 177.50 1wi0 h ASN 95 N 0.00 -0.32 0.00 4.19 -0.26 0.68 -3.49 115.58 116.38 1wi0 h ASN 95 Ca -0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1wi0 h ASN 95 Cb 1.21 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 1wi0 h ASN 95 CO 0.06 -0.13 0.00 0.61 -1.06 0.00 0.00 177.43 176.91 1wi0 n GLY 96 N -0.01 0.52 3.21 2.83 0.00 -0.28 -5.07 105.19 106.39 1wi0 n GLY 96 Ca -0.05 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1wi0 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi0 n GLN 97 N 0.00 -0.12 -1.36 1.61 10.64 -1.25 -4.87 117.38 122.04 1wi0 n GLN 97 Ca 0.00 -0.01 -0.31 0.00 -1.83 0.00 0.00 57.00 54.85 1wi0 n GLN 97 Cb 0.00 -1.42 0.09 0.00 -0.86 0.00 0.00 30.24 28.05 1wi0 n GLN 97 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wi0 s LEU 98 N 3.45 2.82 0.42 2.61 1.43 -1.26 -4.44 118.68 123.71 1wi0 s LEU 98 Ca 0.49 1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 54.99 1wi0 s LEU 98 Cb -0.21 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 1wi0 s LEU 98 CO 0.74 -2.03 1.02 -0.63 0.23 0.00 0.00 176.35 175.68 1wi0 s ILE 99 N -2.98 3.92 0.10 -0.59 -1.09 -1.26 -4.94 121.20 114.36 1wi0 s ILE 99 Ca 0.61 1.35 0.03 0.00 -2.23 0.00 0.00 60.65 60.40 1wi0 s ILE 99 Cb -0.16 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1wi0 s ILE 99 CO 0.56 -0.11 0.15 -1.61 -1.23 0.00 0.00 174.94 172.70 1wi0 s GLU 100 N -2.79 3.11 0.36 2.79 0.41 -1.26 -5.09 118.70 116.22 1wi0 s GLU 100 Ca 0.60 -0.65 -0.26 0.00 -0.41 0.00 0.00 54.97 54.25 1wi0 s GLU 100 Cb -0.18 -2.82 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 1wi0 s GLU 100 CO 0.22 0.55 1.06 -1.25 -0.49 0.00 0.00 175.26 175.36 1wi0 s PRO 101 N -2.69 4.34 -0.99 0.39 0.04 -1.26 -4.88 135.00 129.94 1wi0 s PRO 101 Ca 0.32 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 1wi0 s PRO 101 Cb -0.12 -2.78 -0.20 0.00 0.04 0.00 0.00 34.50 31.45 1wi0 s PRO 101 CO 0.25 -0.01 2.22 -1.17 0.04 0.00 0.00 177.00 178.32 1wi0 s LEU 102 N -2.21 2.51 -0.09 -3.56 2.96 0.11 -4.62 118.68 113.78 1wi0 s LEU 102 Ca 0.53 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.51 1wi0 s LEU 102 Cb -0.26 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.79 1wi0 s LEU 102 CO 0.32 -4.52 1.95 -1.58 -1.32 0.00 0.00 176.35 171.21 1wi0 s GLN 103 N 8.63 3.78 0.34 1.98 0.74 -1.26 -1.20 119.66 132.67 1wi0 s GLN 103 Ca 0.85 2.24 0.03 0.00 0.05 0.00 0.00 55.36 58.53 1wi0 s GLN 103 Cb -0.08 -4.19 -0.05 0.00 1.10 0.00 0.00 33.01 29.80 1wi0 s GLN 103 CO 0.15 -1.35 0.09 0.96 -0.55 0.00 0.00 175.29 174.59 1wi0 s ILE 104 N 5.70 0.86 -0.02 -2.34 -4.36 0.49 -3.69 121.20 117.82 1wi0 s ILE 104 Ca 0.88 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1wi0 s ILE 104 Cb -0.36 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 40.76 1wi0 s ILE 104 CO 0.36 0.00 0.04 -0.36 0.24 0.00 0.00 174.94 175.22 1wi0 s PHE 105 N -3.37 0.02 -0.78 1.37 0.40 0.62 -1.28 117.98 114.97 1wi0 s PHE 105 Ca 0.33 0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 1wi0 s PHE 105 Cb 0.07 -0.26 0.00 0.00 0.51 0.00 0.00 43.02 43.34 1wi0 s PHE 105 CO 0.15 -0.10 1.61 -1.25 0.70 0.00 0.00 175.22 176.33 1wi0 s PRO 106 N 1.19 2.98 0.18 0.24 0.04 -1.26 -1.03 135.00 137.33 1wi0 s PRO 106 Ca -0.08 -0.16 -0.26 0.00 0.04 0.00 0.00 61.00 60.55 1wi0 s PRO 106 Cb -0.13 -4.63 0.05 0.00 0.04 0.00 0.00 34.50 29.82 1wi0 s PRO 106 CO -0.03 -2.57 1.56 0.00 0.04 0.00 0.00 177.00 176.00 1wi0 h ARG 107 N 11.74 -0.14 -1.14 4.56 3.08 -1.77 -3.48 114.38 127.24 1wi0 h ARG 107 Ca -0.11 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1wi0 h ARG 107 Cb 1.07 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1wi0 h ARG 107 CO 1.28 -0.09 -0.27 0.43 -1.07 0.00 0.00 179.97 180.24 1wi0 n SER 108 N -5.38 -3.65 0.00 7.04 7.64 -1.26 -5.05 113.62 112.96 1wi0 n SER 108 Ca 0.03 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1wi0 n SER 108 Cb 0.34 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1wi0 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 109 N -0.64 -1.62 0.08 0.23 0.00 -1.25 -4.94 105.19 97.04 1wi0 n GLY 109 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 1wi0 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi0 h PRO 110 N 0.00 -0.15 -2.46 1.61 0.13 -2.00 -3.44 132.00 125.70 1wi0 h PRO 110 Ca 0.00 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.28 1wi0 h PRO 110 Cb 0.00 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.09 1wi0 h PRO 110 CO 0.00 -0.10 -0.78 0.45 -0.23 0.00 0.00 178.00 177.34 1wi0 n SER 111 N -3.36 -5.52 -3.46 1.44 2.88 -1.26 -5.01 113.62 99.33 1wi0 n SER 111 Ca -0.02 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.67 1wi0 n SER 111 Cb 0.06 -3.29 -0.05 0.00 -0.75 0.00 0.00 64.21 60.18 1wi0 n SER 111 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wi0 s SER 112 N -5.54 -0.18 0.00 -3.46 0.01 -1.26 -5.19 113.70 98.08 1wi0 s SER 112 Ca 0.00 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1wi0 s SER 112 Cb 0.00 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1wi0 s SER 112 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22