#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 -6.51 -4.06 1.61 7.64 -1.26 -4.96 113.62 106.08 1wi0 n SER 2 Ca 0.00 0.10 -0.32 0.00 1.01 0.00 0.00 58.87 59.66 1wi0 n SER 2 Cb 0.00 -3.22 -0.15 0.00 -1.01 0.00 0.00 64.21 59.83 1wi0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi0 s SER 3 N -2.00 4.70 0.06 6.43 0.15 -1.26 -5.09 113.70 116.69 1wi0 s SER 3 Ca 0.31 -1.81 0.06 0.00 0.70 0.00 0.00 55.95 55.21 1wi0 s SER 3 Cb -0.05 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1wi0 s SER 3 CO 0.83 -0.31 -0.17 -0.83 1.20 0.00 0.00 173.24 173.96 1wi0 s GLY 4 N 1.07 0.97 -1.00 9.45 0.00 -1.26 -5.08 107.32 111.46 1wi0 s GLY 4 Ca 0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.63 1wi0 s GLY 4 CO -0.06 -0.97 1.01 -0.45 0.00 0.00 0.00 173.10 172.62 1wi0 s SER 5 N -1.41 7.05 -0.18 1.64 0.15 -1.26 -4.95 113.70 114.74 1wi0 s SER 5 Ca 0.03 -3.10 -0.30 0.00 0.70 0.00 0.00 55.95 53.28 1wi0 s SER 5 Cb -0.09 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 62.12 1wi0 s SER 5 CO 0.02 -0.48 1.03 -0.55 1.20 0.00 0.00 173.24 174.46 1wi0 s SER 6 N 1.91 -0.35 0.25 5.45 0.15 -1.26 -5.11 113.70 114.75 1wi0 s SER 6 Ca 0.27 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wi0 s SER 6 Cb -0.09 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wi0 s SER 6 CO -0.08 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wi0 n GLY 7 N 0.80 1.19 3.73 9.45 0.00 -1.26 -4.92 105.19 114.18 1wi0 n GLY 7 Ca -0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1wi0 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi0 s PRO 8 N 0.00 4.55 -0.24 1.61 0.04 -1.26 -4.96 135.00 134.73 1wi0 s PRO 8 Ca 0.00 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1wi0 s PRO 8 Cb 0.00 -3.29 -0.12 0.00 0.04 0.00 0.00 34.50 31.13 1wi0 s PRO 8 CO 0.00 -0.02 -0.25 0.34 0.04 0.00 0.00 177.00 177.12 1wi0 n PHE 9 N 2.74 0.23 -3.74 0.56 7.35 -1.26 -5.02 117.46 118.32 1wi0 n PHE 9 Ca 0.04 0.10 -0.13 0.00 -0.76 0.00 0.00 57.45 56.70 1wi0 n PHE 9 Cb 0.46 -0.92 -0.10 0.00 0.35 0.00 0.00 39.48 39.27 1wi0 n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wi0 s ALA 11 N 0.21 -2.33 -0.06 0.00 0.00 -1.26 -5.13 121.76 113.20 1wi0 s ALA 11 Ca -0.00 2.20 -0.05 0.00 0.00 0.00 0.00 51.96 54.11 1wi0 s ALA 11 Cb -0.03 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1wi0 s ALA 11 CO 0.01 -0.51 0.15 -1.64 0.00 0.00 0.00 175.76 173.77 1wi0 s MET 12 N 1.68 0.17 -0.29 0.00 -1.94 -1.26 -5.13 119.30 112.53 1wi0 s MET 12 Ca -0.08 0.23 -0.23 0.00 -1.71 0.00 0.00 55.69 53.91 1wi0 s MET 12 Cb -0.05 0.05 0.14 0.00 2.01 0.00 0.00 34.83 36.99 1wi0 s MET 12 CO -0.16 -0.04 1.09 -1.21 -0.01 0.00 0.00 175.02 174.69 1wi0 s GLU 13 N 0.22 0.40 0.17 2.03 2.02 -1.26 -5.04 118.70 117.24 1wi0 s GLU 13 Ca -0.01 0.52 -0.20 0.00 0.02 0.00 0.00 54.97 55.30 1wi0 s GLU 13 Cb -0.02 0.17 0.09 0.00 0.10 0.00 0.00 34.13 34.47 1wi0 s GLU 13 CO -0.01 -0.05 1.62 -0.97 0.02 0.00 0.00 175.26 175.87 1wi0 h ASN 14 N 4.41 -0.77 -1.67 -0.19 -1.24 -2.02 -3.42 115.58 110.68 1wi0 h ASN 14 Ca -0.28 0.16 -0.60 0.00 0.71 0.00 0.00 56.30 56.30 1wi0 h ASN 14 Cb 1.18 0.40 -0.11 0.00 0.73 0.00 0.00 38.32 40.53 1wi0 h ASN 14 CO 0.14 -0.26 -0.56 -1.10 -1.29 0.00 0.00 177.43 174.37 1wi0 s GLN 15 N -6.11 2.09 0.50 6.67 -0.21 -1.26 -5.16 119.66 116.18 1wi0 s GLN 15 Ca -0.14 -1.95 0.04 0.00 0.02 0.00 0.00 55.36 53.33 1wi0 s GLN 15 Cb 0.14 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 1wi0 s GLN 15 CO 0.70 -0.06 0.15 0.14 -2.12 0.00 0.00 175.29 174.10 1wi0 s VAL 16 N -2.64 1.54 -0.17 1.09 -7.23 -1.26 -5.08 120.40 106.66 1wi0 s VAL 16 Ca 0.38 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 1wi0 s VAL 16 Cb 0.06 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1wi0 s VAL 16 CO 0.20 0.00 0.22 -0.22 -0.31 0.00 0.00 175.10 175.00 1wi0 s LEU 17 N -3.98 4.24 -0.19 1.32 2.96 0.15 -4.98 118.68 118.20 1wi0 s LEU 17 Ca 0.21 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1wi0 s LEU 17 Cb 0.02 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.48 1wi0 s LEU 17 CO 0.12 0.15 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.44 1wi0 s VAL 18 N 0.31 2.00 -0.21 1.68 1.01 -1.26 0.34 120.40 124.27 1wi0 s VAL 18 Ca 0.13 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1wi0 s VAL 18 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1wi0 s VAL 18 CO 0.02 0.41 0.13 -0.63 0.00 0.00 0.00 175.10 175.02 1wi0 s ILE 19 N 1.28 5.27 -0.45 2.22 1.01 -1.07 0.74 121.20 130.20 1wi0 s ILE 19 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1wi0 s ILE 19 Cb -0.14 -3.42 0.09 0.00 0.01 0.00 0.00 42.46 39.00 1wi0 s ILE 19 CO -0.11 0.41 0.32 -0.60 0.00 0.00 0.00 174.94 174.96 1wi0 s ARG 20 N 0.63 2.67 -0.27 2.79 3.52 0.03 -0.20 118.95 128.13 1wi0 s ARG 20 Ca 0.07 -1.53 -0.28 0.00 -0.13 0.00 0.00 55.73 53.87 1wi0 s ARG 20 Cb -0.12 -3.91 0.01 0.00 -1.56 0.00 0.00 34.95 29.36 1wi0 s ARG 20 CO 0.01 -1.05 0.99 0.42 -0.81 0.00 0.00 175.30 174.86 1wi0 s ILE 21 N 1.46 4.67 -0.01 4.11 1.09 -0.16 -0.74 121.20 131.62 1wi0 s ILE 21 Ca 0.04 1.78 -0.30 0.00 -1.10 0.00 0.00 60.65 61.06 1wi0 s ILE 21 Cb -0.24 -4.29 -0.06 0.00 -1.06 0.00 0.00 42.46 36.80 1wi0 s ILE 21 CO 0.02 -0.26 1.60 -0.54 -0.10 0.00 0.00 174.94 175.67 1wi0 s LYS 22 N 3.25 4.21 -0.06 2.79 -0.14 -0.11 -2.45 119.74 127.21 1wi0 s LYS 22 Ca 0.42 2.18 -0.08 0.00 -1.36 0.00 0.00 55.97 57.12 1wi0 s LYS 22 Cb -0.14 -3.80 -0.05 0.00 -1.68 0.00 0.00 37.83 32.16 1wi0 s LYS 22 CO 0.10 -0.76 0.23 0.42 -0.76 0.00 0.00 175.35 174.57 1wi0 s ILE 23 N 3.35 5.36 -0.15 2.17 -1.09 -1.10 -4.53 121.20 125.21 1wi0 s ILE 23 Ca 0.71 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 59.16 1wi0 s ILE 23 Cb -0.34 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1wi0 s ILE 23 CO 0.29 0.54 1.26 -2.16 -1.23 0.00 0.00 174.94 173.65 1wi0 s PRO 24 N -1.24 4.25 -0.68 2.79 0.04 -1.26 -4.03 135.00 134.87 1wi0 s PRO 24 Ca 0.20 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1wi0 s PRO 24 Cb -0.13 -3.74 0.02 0.00 0.04 0.00 0.00 34.50 30.69 1wi0 s PRO 24 CO 0.09 -0.67 0.63 -1.71 0.04 0.00 0.00 177.00 175.37 1wi0 n ASN 25 N 6.42 -5.05 0.00 6.66 2.85 -1.26 -4.75 115.26 120.13 1wi0 n ASN 25 Ca 0.14 -0.67 0.00 0.00 -0.11 0.00 0.00 54.58 53.94 1wi0 n ASN 25 Cb 0.45 -1.59 0.00 0.00 1.24 0.00 0.00 39.78 39.88 1wi0 n ASN 25 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wi0 n SER 26 N -1.69 0.00 0.00 1.20 7.64 -1.26 -5.14 113.62 114.37 1wi0 n SER 26 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1wi0 n SER 26 Cb 0.70 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.40 -1.10 3.65 0.23 0.00 -1.26 -5.07 105.19 100.24 1wi0 n GLY 27 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.00 -2.18 0.04 4.61 0.00 -1.26 -2.71 121.76 119.25 1wi0 s ALA 28 Ca 0.00 1.93 0.07 0.00 0.00 0.00 0.00 51.96 53.96 1wi0 s ALA 28 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1wi0 s ALA 28 CO 0.00 -0.42 -0.21 0.08 0.00 0.00 0.00 175.76 175.21 1wi0 s VAL 29 N -1.61 1.70 -0.25 0.00 1.01 -1.03 -4.95 120.40 115.27 1wi0 s VAL 29 Ca 0.11 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1wi0 s VAL 29 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1wi0 s VAL 29 CO -0.05 0.24 0.07 1.51 0.00 0.00 0.00 175.10 176.86 1wi0 s ASP 30 N -1.13 5.10 -0.47 3.32 -4.77 -1.26 -0.98 116.67 116.47 1wi0 s ASP 30 Ca 0.08 -0.21 -0.18 0.00 -3.30 0.00 0.00 52.55 48.94 1wi0 s ASP 30 Cb -0.09 -1.92 0.05 0.00 -1.09 0.00 0.00 42.92 39.87 1wi0 s ASP 30 CO 0.02 -0.03 0.53 0.86 0.70 0.00 0.00 175.17 177.25 1wi0 s TRP 31 N 1.59 3.12 -0.47 2.11 -0.00 0.72 -4.92 118.94 121.10 1wi0 s TRP 31 Ca 0.06 -0.53 -0.27 0.00 -0.00 0.00 0.00 56.10 55.36 1wi0 s TRP 31 Cb -0.15 -3.27 -0.04 0.00 -0.00 0.00 0.00 33.47 30.01 1wi0 s TRP 31 CO 0.03 -0.88 2.05 -0.08 -0.00 0.00 0.00 176.95 178.07 1wi0 s THR 32 N 2.32 3.24 -0.19 5.86 -1.32 -1.26 -2.59 115.64 121.70 1wi0 s THR 32 Ca 0.13 0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 60.74 1wi0 s THR 32 Cb -0.19 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1wi0 s THR 32 CO 0.12 -0.43 0.01 -0.69 -2.21 0.00 0.00 174.62 171.42 1wi0 s VAL 33 N 9.43 4.09 -0.23 5.08 1.01 0.15 -4.97 120.40 134.98 1wi0 s VAL 33 Ca 0.83 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1wi0 s VAL 33 Cb -0.18 -2.84 -0.17 0.00 0.00 0.00 0.00 36.38 33.19 1wi0 s VAL 33 CO 0.27 0.44 -0.15 1.41 0.00 0.00 0.00 175.10 177.07 1wi0 n HIS 34 N 4.03 0.00 -1.62 5.22 8.25 -1.26 0.32 115.22 130.16 1wi0 n HIS 34 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.96 1wi0 n HIS 34 Cb 0.52 -0.91 -0.04 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.09 7.45 -0.24 0.41 7.64 -1.26 -4.70 113.62 119.84 1wi0 n SER 35 Ca -0.39 -2.97 -0.03 0.00 1.01 0.00 0.00 58.87 56.48 1wi0 n SER 35 Cb 0.98 -1.37 0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1wi0 n SER 35 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wi0 h GLY 36 N 5.35 0.04 2.00 0.23 0.00 -1.93 0.18 103.07 108.94 1wi0 h GLY 36 Ca 0.60 0.41 -0.16 0.00 0.00 0.00 0.00 47.33 48.18 1wi0 h GLY 36 CO 1.23 -0.22 -0.75 -0.56 0.00 0.00 0.00 176.54 176.24 1wi0 h PRO 37 N -0.11 0.00 -2.04 4.80 0.13 -1.99 -3.25 132.00 129.55 1wi0 h PRO 37 Ca 0.27 -0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.70 1wi0 h PRO 37 Cb 0.56 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.45 1wi0 h PRO 37 CO -0.74 0.75 0.92 0.94 -0.23 0.00 0.00 178.00 179.64 1wi0 n GLN 38 N -3.65 2.90 -5.08 0.86 7.27 0.50 -4.93 117.38 115.24 1wi0 n GLN 38 Ca -0.01 -3.27 -0.31 0.00 0.07 0.00 0.00 57.00 53.48 1wi0 n GLN 38 Cb 0.73 -2.26 -0.15 0.00 2.41 0.00 0.00 30.24 30.97 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 -3.51 2.32 0.32 1.69 2.96 -0.43 -4.75 118.68 117.28 1wi0 s LEU 39 Ca 0.53 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1wi0 s LEU 39 Cb 0.40 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 1wi0 s LEU 39 CO -0.34 0.32 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.23 1wi0 s LEU 40 N -0.79 2.96 0.06 -0.68 1.43 -1.26 -4.95 118.68 115.45 1wi0 s LEU 40 Ca 0.11 -0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 51.95 1wi0 s LEU 40 Cb -0.10 -1.36 -0.18 0.00 0.03 0.00 0.00 46.19 44.57 1wi0 s LEU 40 CO 0.00 -0.17 1.55 0.15 0.23 0.00 0.00 176.35 178.11 1wi0 h PHE 41 N 1.87 -0.73 -0.71 0.29 3.57 -1.92 -3.04 116.94 116.29 1wi0 h PHE 41 Ca -0.43 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.18 1wi0 h PHE 41 Cb 1.25 0.24 -0.13 0.00 2.79 0.00 0.00 35.95 40.10 1wi0 h PHE 41 CO 0.71 -0.43 -0.29 0.00 -2.23 0.00 0.00 178.31 176.07 1wi0 h ARG 42 N -0.85 -0.08 -0.97 1.11 2.47 -1.98 0.39 114.38 114.47 1wi0 h ARG 42 Ca -0.08 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 58.87 1wi0 h ARG 42 Cb 0.63 0.02 -0.18 0.00 -1.65 0.00 0.00 29.97 28.78 1wi0 h ARG 42 CO 0.13 -0.05 -0.12 -0.44 0.56 0.00 0.00 179.97 180.05 1wi0 h ASP 43 N -0.08 -0.71 -0.25 7.04 5.19 -1.95 1.83 116.42 127.48 1wi0 h ASP 43 Ca 0.30 0.28 0.04 0.00 -0.62 0.00 0.00 57.03 57.03 1wi0 h ASP 43 Cb 0.56 0.55 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1wi0 h ASP 43 CO -0.76 -0.33 0.04 0.58 -3.12 0.00 0.00 179.24 175.65 1wi0 h VAL 44 N 0.01 0.87 -0.55 -1.35 2.07 -0.19 0.25 116.25 117.36 1wi0 h VAL 44 Ca 0.52 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.93 1wi0 h VAL 44 Cb 0.93 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1wi0 h VAL 44 CO -0.96 0.02 0.09 -0.07 0.02 0.00 0.00 177.57 176.68 1wi0 h LEU 45 N 0.13 0.81 -1.37 2.57 -0.00 0.20 0.67 115.31 118.33 1wi0 h LEU 45 Ca 0.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1wi0 h LEU 45 Cb 0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 1wi0 h LEU 45 CO -0.16 0.82 0.15 0.44 -0.00 0.00 0.00 178.44 179.69 1wi0 h ASP 46 N 0.82 0.52 0.00 -0.43 5.19 0.34 0.32 116.42 123.19 1wi0 h ASP 46 Ca 0.17 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1wi0 h ASP 46 Cb 0.36 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1wi0 h ASP 46 CO 0.01 0.49 -0.04 0.58 -3.12 0.00 0.00 179.24 177.15 1wi0 h VAL 47 N 0.57 0.00 -0.94 -1.35 2.07 0.35 -3.34 116.25 113.61 1wi0 h VAL 47 Ca 0.14 -0.93 0.27 0.00 0.82 0.00 0.00 66.70 67.00 1wi0 h VAL 47 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.77 1wi0 h VAL 47 CO -0.01 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.40 1wi0 h ILE 48 N -0.93 0.34 -0.71 4.57 2.04 0.34 1.43 117.51 124.60 1wi0 h ILE 48 Ca 0.00 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 65.96 1wi0 h ILE 48 Cb 0.04 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1wi0 h ILE 48 CO 0.00 0.06 0.69 1.23 0.00 0.00 0.00 178.15 180.13 1wi0 h GLY 49 N 0.31 0.00 1.08 5.37 0.00 -0.47 1.41 103.07 110.77 1wi0 h GLY 49 Ca 0.64 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.78 1wi0 h GLY 49 CO -0.61 0.00 -1.39 1.46 0.00 0.00 0.00 176.54 176.00 1wi0 h GLN 50 N 0.00 0.00 0.01 4.80 4.20 0.18 -3.07 115.11 121.22 1wi0 h GLN 50 Ca 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 1wi0 h GLN 50 Cb 1.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.49 1wi0 h GLN 50 CO -0.00 0.35 -0.03 0.28 -0.67 0.00 0.00 178.83 178.75 1wi0 h VAL 51 N 0.00 1.77 -2.83 -0.54 2.07 0.19 -3.40 116.25 113.52 1wi0 h VAL 51 Ca -0.17 -2.31 -0.61 0.00 0.82 0.00 0.00 66.70 64.43 1wi0 h VAL 51 Cb 1.64 3.34 -0.42 0.00 -1.52 0.00 0.00 31.29 34.33 1wi0 h VAL 51 CO 0.05 0.60 -0.61 0.18 0.02 0.00 0.00 177.57 177.82 1wi0 n LEU 52 N -4.60 2.97 0.19 2.57 4.32 0.28 -4.87 117.00 117.85 1wi0 n LEU 52 Ca -0.10 -5.21 0.14 0.00 -0.02 0.00 0.00 56.01 50.81 1wi0 n LEU 52 Cb 0.48 -0.64 0.44 0.00 -1.62 0.00 0.00 43.42 42.08 1wi0 n LEU 52 CO 0.35 1.84 0.89 1.55 -1.22 0.00 0.00 177.39 180.79 1wi0 h PRO 53 N 5.10 0.00 -0.25 3.23 0.13 -1.73 -2.73 132.00 135.75 1wi0 h PRO 53 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wi0 h PRO 53 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wi0 h PRO 53 CO 0.72 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1wi0 n GLU 54 N -2.69 1.97 -3.75 0.86 -0.58 -1.26 -4.84 120.64 110.35 1wi0 n GLU 54 Ca 0.03 -1.84 -0.29 0.00 -0.42 0.00 0.00 57.16 54.64 1wi0 n GLU 54 Cb 0.38 -1.34 -0.16 0.00 -0.57 0.00 0.00 31.44 29.75 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wi0 s ALA 55 N -1.16 1.22 0.67 0.62 0.00 -1.03 -5.12 121.76 116.97 1wi0 s ALA 55 Ca 0.25 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1wi0 s ALA 55 Cb 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1wi0 s ALA 55 CO 0.21 -1.32 1.27 2.41 0.00 0.00 0.00 175.76 178.32 1wi0 n THR 56 N 4.97 4.49 0.00 0.00 -1.04 -1.26 -4.70 114.28 116.73 1wi0 n THR 56 Ca -0.07 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1wi0 n THR 56 Cb 0.45 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1wi0 n THR 56 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wi0 n THR 57 N -2.13 0.00 -1.34 12.58 -1.04 -1.25 -4.20 114.28 116.91 1wi0 n THR 57 Ca 0.16 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.05 1wi0 n THR 57 Cb 0.48 -0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 68.74 1wi0 n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wi0 n THR 58 N -0.77 0.00 0.00 12.58 -1.04 -1.26 -4.65 114.28 119.14 1wi0 n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wi0 n THR 58 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1wi0 n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wi0 n ALA 59 N 1.18 0.00 -2.29 2.41 0.00 -1.26 -4.77 120.51 115.78 1wi0 n ALA 59 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 1wi0 n ALA 59 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1wi0 n ALA 59 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1wi0 s PHE 60 N -1.88 1.63 0.13 0.00 -0.71 -1.13 -1.07 117.98 114.95 1wi0 s PHE 60 Ca 0.00 -1.60 0.06 0.00 -1.04 0.00 0.00 56.93 54.34 1wi0 s PHE 60 Cb 0.00 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 1wi0 s PHE 60 CO 0.00 -0.84 -0.13 -1.21 -1.34 0.00 0.00 175.22 171.70 1wi0 s GLU 61 N -3.57 1.05 -0.16 1.99 2.02 -0.13 -0.16 118.70 119.75 1wi0 s GLU 61 Ca 0.40 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.01 1wi0 s GLU 61 Cb 0.03 -0.87 0.06 0.00 0.10 0.00 0.00 34.13 33.44 1wi0 s GLU 61 CO 0.25 0.16 0.38 1.52 0.02 0.00 0.00 175.26 177.59 1wi0 s TYR 62 N -2.38 -0.56 0.31 1.61 -0.85 -0.98 -1.00 117.35 113.51 1wi0 s TYR 62 Ca 0.11 1.21 -0.29 0.00 -0.52 0.00 0.00 57.07 57.57 1wi0 s TYR 62 Cb -0.03 0.23 -0.11 0.00 0.38 0.00 0.00 41.96 42.43 1wi0 s TYR 62 CO 0.03 -0.32 1.54 -1.21 -1.52 0.00 0.00 175.55 174.06 1wi0 s GLU 63 N 1.37 4.14 0.00 -3.49 2.02 -1.26 -0.29 118.70 121.19 1wi0 s GLU 63 Ca -0.09 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.43 1wi0 s GLU 63 Cb -0.09 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1wi0 s GLU 63 CO -0.12 -0.56 0.00 -3.47 0.02 0.00 0.00 175.26 171.13 1wi0 n ASP 64 N 1.68 0.09 0.16 -0.19 2.03 -1.26 -4.82 116.55 114.24 1wi0 n ASP 64 Ca 0.06 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.22 1wi0 n ASP 64 Cb 0.38 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 1wi0 n ASP 64 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1wi0 h GLU 65 N 0.00 -0.62 -0.85 -0.67 4.81 -1.98 -0.69 114.58 114.57 1wi0 h GLU 65 Ca 0.00 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1wi0 h GLU 65 Cb 0.00 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1wi0 h GLU 65 CO 0.00 -0.42 0.16 -0.25 -0.73 0.00 0.00 179.01 177.77 1wi0 n ASP 66 N -5.45 3.68 -4.08 1.04 9.92 -1.26 -4.90 116.55 115.51 1wi0 n ASP 66 Ca -0.08 -2.72 -0.36 0.00 -0.53 0.00 0.00 54.79 51.10 1wi0 n ASP 66 Cb 0.36 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.03 -0.45 0.56 0.44 0.00 -0.27 -4.78 105.19 100.72 1wi0 n GLY 67 Ca 0.24 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.09 1.72 -2.63 1.61 -0.08 -1.26 -4.72 116.55 109.10 1wi0 n ASP 68 Ca -0.18 -1.65 -0.04 0.00 -1.51 0.00 0.00 54.79 51.40 1wi0 n ASP 68 Cb 0.55 -0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.90 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 0.35 -4.12 -2.27 -0.67 5.12 -1.26 -4.94 116.66 108.87 1wi0 n ARG 69 Ca 0.17 3.12 -0.27 0.00 -1.93 0.00 0.00 57.85 58.94 1wi0 n ARG 69 Cb 0.36 -4.31 0.15 0.00 -1.16 0.00 0.00 32.46 27.50 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 -0.54 2.04 -0.04 0.55 -1.09 0.61 -4.77 121.20 117.95 1wi0 s ILE 70 Ca -0.21 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1wi0 s ILE 70 Cb 0.01 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 38.18 1wi0 s ILE 70 CO 0.56 0.00 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.38 1wi0 s THR 71 N -3.54 0.25 -0.44 2.92 2.01 -1.26 -2.31 115.64 113.27 1wi0 s THR 71 Ca 0.71 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.74 1wi0 s THR 71 Cb -0.04 -0.36 0.11 0.00 0.01 0.00 0.00 72.50 72.22 1wi0 s THR 71 CO 0.49 0.19 0.27 -0.69 -0.69 0.00 0.00 174.62 174.18 1wi0 s VAL 72 N 1.32 3.77 -1.46 3.82 1.01 0.78 -4.86 120.40 124.77 1wi0 s VAL 72 Ca -0.05 -1.87 0.12 0.00 0.00 0.00 0.00 61.98 60.18 1wi0 s VAL 72 Cb -0.13 -3.50 0.15 0.00 0.00 0.00 0.00 36.38 32.90 1wi0 s VAL 72 CO -0.02 -0.70 0.98 0.54 0.00 0.00 0.00 175.10 175.90 1wi0 n ARG 73 N 4.76 1.20 -3.67 2.72 1.74 -1.26 -2.85 116.66 119.30 1wi0 n ARG 73 Ca -0.06 -1.44 -0.10 0.00 -0.77 0.00 0.00 57.85 55.48 1wi0 n ARG 73 Cb 0.41 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.04 -0.25 0.24 0.55 0.15 -1.26 -4.97 113.70 107.11 1wi0 s SER 74 Ca 0.17 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 1wi0 s SER 74 Cb 0.11 0.52 0.38 0.00 -1.71 0.00 0.00 66.02 65.32 1wi0 s SER 74 CO 0.16 -0.94 1.78 0.44 1.20 0.00 0.00 173.24 175.89 1wi0 h ASP 75 N 2.29 0.50 -0.35 5.45 3.32 -1.98 -1.96 116.42 123.69 1wi0 h ASP 75 Ca -0.32 0.07 0.06 0.00 0.02 0.00 0.00 57.03 56.85 1wi0 h ASP 75 Cb 1.26 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 1wi0 h ASP 75 CO 0.43 0.27 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.65 1wi0 h GLU 76 N 0.63 -0.39 -1.00 3.56 4.81 -2.01 0.18 114.58 120.37 1wi0 h GLU 76 Ca 0.38 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.77 1wi0 h GLU 76 Cb 0.42 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 1wi0 h GLU 76 CO -0.29 -0.26 0.62 0.93 -0.73 0.00 0.00 179.01 179.29 1wi0 h GLU 77 N -0.40 0.90 0.01 1.92 3.07 -1.73 -2.62 114.58 115.73 1wi0 h GLU 77 Ca 0.10 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1wi0 h GLU 77 Cb 0.61 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1wi0 h GLU 77 CO -0.55 0.60 -0.26 1.98 -1.40 0.00 0.00 179.01 179.38 1wi0 h MET 78 N 0.93 -0.32 -0.93 2.33 4.05 -0.00 0.12 114.93 121.10 1wi0 h MET 78 Ca 0.52 0.02 0.18 0.00 -0.28 0.00 0.00 59.70 60.14 1wi0 h MET 78 Cb 0.59 0.07 -0.17 0.00 -0.80 0.00 0.00 31.60 31.29 1wi0 h MET 78 CO -0.30 -0.21 -0.25 0.87 0.23 0.00 0.00 176.91 177.25 1wi0 h LYS 79 N -0.33 -0.00 0.14 0.39 1.57 -0.97 0.40 116.57 117.77 1wi0 h LYS 79 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wi0 h LYS 79 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1wi0 h LYS 79 CO -0.16 -0.00 -0.45 0.00 -0.57 0.00 0.00 179.45 178.27 1wi0 h ALA 80 N 1.86 -0.82 -0.87 3.86 0.00 -1.11 0.80 119.26 122.98 1wi0 h ALA 80 Ca 0.43 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.48 1wi0 h ALA 80 Cb 0.67 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 1wi0 h ALA 80 CO -0.96 -1.02 0.28 1.98 0.00 0.00 0.00 179.25 179.53 1wi0 h MET 81 N -0.70 0.26 0.00 0.00 1.85 0.23 1.30 114.93 117.87 1wi0 h MET 81 Ca 0.01 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1wi0 h MET 81 Cb 0.71 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.67 1wi0 h MET 81 CO -0.24 0.17 -0.51 -0.07 -0.40 0.00 0.00 176.91 175.86 1wi0 h LEU 82 N 0.26 0.00 -0.91 3.39 3.38 0.27 -2.21 115.31 119.49 1wi0 h LEU 82 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1wi0 h LEU 82 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wi0 h LEU 82 CO -0.61 0.51 0.00 -1.28 0.09 0.00 0.00 178.44 177.15 1wi0 h SER 83 N 0.00 0.00 0.00 -0.43 0.87 0.84 -2.65 113.55 112.19 1wi0 h SER 83 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 1wi0 h SER 83 Cb 1.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1wi0 h SER 83 CO 0.07 0.00 -1.64 0.00 -0.53 0.00 0.00 176.83 174.73 1wi0 n TYR 84 N -2.29 0.40 -0.27 2.24 9.36 -0.51 -3.38 117.16 122.70 1wi0 n TYR 84 Ca 0.01 0.17 0.09 0.00 3.32 0.00 0.00 57.90 61.49 1wi0 n TYR 84 Cb 0.19 -0.90 0.22 0.00 -0.63 0.00 0.00 39.34 38.22 1wi0 n TYR 84 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1wi0 h TYR 85 N -1.00 0.24 -0.08 2.98 3.20 -1.38 0.99 116.97 121.91 1wi0 h TYR 85 Ca -0.38 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.37 1wi0 h TYR 85 Cb 1.27 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1wi0 h TYR 85 CO -0.12 -0.17 -0.67 1.88 -1.64 0.00 0.00 178.16 177.44 1wi0 h TYR 86 N 0.21 0.47 0.00 -3.82 0.05 -1.69 1.65 116.97 113.84 1wi0 h TYR 86 Ca 0.47 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.98 1wi0 h TYR 86 Cb 0.88 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1wi0 h TYR 86 CO -0.30 0.92 -0.39 0.77 -1.05 0.00 0.00 178.16 178.11 1wi0 h SER 87 N 0.25 0.00 0.04 3.88 0.02 -0.38 -2.15 113.55 115.21 1wi0 h SER 87 Ca -0.02 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.55 1wi0 h SER 87 Cb 1.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 1wi0 h SER 87 CO 0.11 0.39 -2.26 1.07 -1.14 0.00 0.00 176.83 175.00 1wi0 n THR 88 N -3.71 1.59 0.01 -2.27 5.66 0.30 -4.01 114.28 111.85 1wi0 n THR 88 Ca -0.01 -0.55 -0.10 0.00 -3.05 0.00 0.00 64.05 60.35 1wi0 n THR 88 Cb 0.48 -1.61 -0.03 0.00 -1.55 0.00 0.00 70.33 67.61 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 -0.14 0.41 -0.21 1.08 2.07 0.24 0.30 116.25 120.01 1wi0 h VAL 89 Ca -0.53 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1wi0 h VAL 89 Cb 1.88 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1wi0 h VAL 89 CO -0.08 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.75 1wi0 h MET 90 N -0.32 0.00 0.03 1.57 -0.00 -1.58 0.26 114.93 114.88 1wi0 h MET 90 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.57 1wi0 h MET 90 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.04 1wi0 h MET 90 CO -0.30 0.00 -1.09 0.93 -0.00 0.00 0.00 176.91 176.45 1wi0 h GLU 91 N 0.00 0.06 0.00 -0.10 4.39 -0.67 -2.78 114.58 115.48 1wi0 h GLU 91 Ca 0.10 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wi0 h GLU 91 Cb 0.58 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1wi0 h GLU 91 CO -0.00 1.03 0.00 1.96 -1.16 0.00 0.00 179.01 180.84 1wi0 h GLN 92 N 0.02 0.00 0.05 2.33 4.20 0.21 -2.10 115.11 119.82 1wi0 h GLN 92 Ca -0.05 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.41 1wi0 h GLN 92 Cb 1.83 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 1wi0 h GLN 92 CO 0.14 0.00 -1.33 1.96 -0.67 0.00 0.00 178.83 178.94 1wi0 h GLN 93 N 0.00 0.10 0.00 1.46 4.20 -1.39 -2.95 115.11 116.53 1wi0 h GLN 93 Ca 0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1wi0 h GLN 93 Cb 0.49 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wi0 h GLN 93 CO 0.00 1.08 -0.00 -0.39 -0.67 0.00 0.00 178.83 178.85 1wi0 h VAL 94 N -0.66 0.84 0.21 -0.54 -1.51 -1.41 -2.86 116.25 110.32 1wi0 h VAL 94 Ca -0.33 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1wi0 h VAL 94 Cb 1.51 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1wi0 h VAL 94 CO -0.08 0.00 -0.10 -1.13 -1.23 0.00 0.00 177.57 175.03 1wi0 h ASN 95 N 0.00 -0.24 0.00 4.19 -0.73 -1.50 -3.50 115.58 113.80 1wi0 h ASN 95 Ca -0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1wi0 h ASN 95 Cb 0.01 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1wi0 h ASN 95 CO 0.00 0.10 0.00 0.61 -0.37 0.00 0.00 177.43 177.77 1wi0 n GLY 96 N 0.91 1.31 3.10 1.57 0.00 -1.08 -5.11 105.19 105.89 1wi0 n GLY 96 Ca -0.04 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.07 -1.67 1.61 10.64 -1.22 -4.83 117.38 121.84 1wi0 n GLN 97 Ca 0.00 -0.01 -0.29 0.00 -1.83 0.00 0.00 57.00 54.87 1wi0 n GLN 97 Cb 0.00 -1.21 0.10 0.00 -0.86 0.00 0.00 30.24 28.27 1wi0 n GLN 97 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1wi0 s LEU 98 N 5.73 2.39 0.33 2.61 0.05 -1.26 -4.31 118.68 124.21 1wi0 s LEU 98 Ca 0.44 1.03 -0.23 0.00 0.05 0.00 0.00 54.13 55.42 1wi0 s LEU 98 Cb -0.19 -3.53 -0.10 0.00 -2.05 0.00 0.00 46.19 40.33 1wi0 s LEU 98 CO 0.79 -2.10 0.90 -0.63 -0.55 0.00 0.00 176.35 174.76 1wi0 s ILE 99 N -3.33 4.33 0.18 1.48 -1.09 -1.26 -4.90 121.20 116.60 1wi0 s ILE 99 Ca 0.62 1.63 0.04 0.00 -2.23 0.00 0.00 60.65 60.71 1wi0 s ILE 99 Cb -0.13 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1wi0 s ILE 99 CO 0.52 0.04 0.21 -1.61 -1.23 0.00 0.00 174.94 172.87 1wi0 s GLU 100 N -2.32 3.11 0.28 2.79 2.02 -1.26 -5.09 118.70 118.23 1wi0 s GLU 100 Ca 0.52 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 54.42 1wi0 s GLU 100 Cb -0.16 -2.75 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 1wi0 s GLU 100 CO 0.21 0.48 1.08 -1.25 0.02 0.00 0.00 175.26 175.80 1wi0 s PRO 101 N -3.30 4.64 -0.88 0.39 0.04 -1.26 -4.88 135.00 129.75 1wi0 s PRO 101 Ca 0.32 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 1wi0 s PRO 101 Cb -0.10 -3.16 -0.17 0.00 0.04 0.00 0.00 34.50 31.10 1wi0 s PRO 101 CO 0.26 0.23 2.31 -0.11 0.04 0.00 0.00 177.00 179.72 1wi0 n LEU 102 N 1.16 1.56 -4.60 -3.56 7.94 0.23 -4.62 117.00 115.10 1wi0 n LEU 102 Ca -0.01 -1.79 -0.43 0.00 -1.11 0.00 0.00 56.01 52.67 1wi0 n LEU 102 Cb 0.45 -1.66 -0.03 0.00 0.53 0.00 0.00 43.42 42.72 1wi0 n LEU 102 CO 0.53 -2.94 1.60 -1.58 -1.11 0.00 0.00 177.39 173.89 1wi0 s GLN 103 N 8.75 3.35 0.23 1.96 0.74 -1.26 -0.79 119.66 132.64 1wi0 s GLN 103 Ca 0.89 1.65 0.09 0.00 0.05 0.00 0.00 55.36 58.05 1wi0 s GLN 103 Cb -0.12 -4.23 -0.05 0.00 1.10 0.00 0.00 33.01 29.72 1wi0 s GLN 103 CO 0.12 -1.84 -0.17 0.96 -0.55 0.00 0.00 175.29 173.82 1wi0 s ILE 104 N 7.02 2.03 -0.09 -2.34 -4.36 0.08 -4.21 121.20 119.33 1wi0 s ILE 104 Ca 0.85 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1wi0 s ILE 104 Cb -0.26 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1wi0 s ILE 104 CO 0.34 -0.49 -0.10 -0.36 0.24 0.00 0.00 174.94 174.57 1wi0 s PHE 105 N -2.70 1.48 -0.76 1.37 0.40 -0.17 -0.94 117.98 116.67 1wi0 s PHE 105 Ca 0.25 -0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 55.67 1wi0 s PHE 105 Cb -0.03 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1wi0 s PHE 105 CO 0.10 -0.39 1.60 -1.25 0.70 0.00 0.00 175.22 175.98 1wi0 s PRO 106 N 1.14 2.96 1.07 0.24 0.04 -1.26 -0.95 135.00 138.23 1wi0 s PRO 106 Ca -0.06 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 60.73 1wi0 s PRO 106 Cb -0.14 -4.54 0.05 0.00 0.04 0.00 0.00 34.50 29.91 1wi0 s PRO 106 CO -0.02 -2.53 -0.14 0.54 0.04 0.00 0.00 177.00 174.89 1wi0 n ARG 107 N 9.17 -1.11 -3.48 4.56 1.74 -0.23 -4.87 116.66 122.45 1wi0 n ARG 107 Ca 0.18 -0.30 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 1wi0 n ARG 107 Cb 0.50 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1wi0 n ARG 107 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wi0 s SER 108 N -1.74 -0.54 0.38 0.55 1.04 -1.26 -3.89 113.70 108.25 1wi0 s SER 108 Ca 0.53 0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.95 1wi0 s SER 108 Cb -0.11 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1wi0 s SER 108 CO 0.67 -0.85 0.78 0.61 0.98 0.00 0.00 173.24 175.43 1wi0 n GLY 109 N 0.00 0.99 3.79 7.32 0.00 -1.26 -5.10 105.19 110.93 1wi0 n GLY 109 Ca -0.17 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1wi0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi0 s PRO 110 N -2.09 1.37 0.39 1.61 0.04 -1.26 -4.89 135.00 130.18 1wi0 s PRO 110 Ca 0.16 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1wi0 s PRO 110 Cb -0.05 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1wi0 s PRO 110 CO 0.11 -2.05 0.00 0.45 0.04 0.00 0.00 177.00 175.55 1wi0 n SER 111 N -3.68 -6.04 -4.67 6.66 2.88 -1.26 -4.82 113.62 102.69 1wi0 n SER 111 Ca 0.07 1.08 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 1wi0 n SER 111 Cb 0.59 -3.11 -0.03 0.00 -0.75 0.00 0.00 64.21 60.91 1wi0 n SER 111 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi0 s SER 112 N -3.85 7.11 0.00 -3.46 0.15 -1.26 -5.06 113.70 107.32 1wi0 s SER 112 Ca 0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1wi0 s SER 112 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wi0 s SER 112 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55