#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi0 s SER 2 N 0.00 0.70 0.51 1.61 1.04 -1.26 -5.09 113.70 111.21 1wi0 s SER 2 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1wi0 s SER 2 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wi0 s SER 2 CO 0.00 -0.47 0.00 -1.20 0.98 0.00 0.00 173.24 172.55 1wi0 n SER 3 N 0.44 -8.06 0.00 7.02 7.64 -1.26 -4.94 113.62 114.47 1wi0 n SER 3 Ca -0.16 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1wi0 n SER 3 Cb 0.59 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1wi0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 4 N -1.38 1.65 1.41 0.23 0.00 -1.26 -5.10 105.19 100.75 1wi0 n GLY 4 Ca 0.00 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.40 1wi0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wi0 n SER 5 N 0.21 -8.20 -4.69 1.61 3.41 -1.26 -4.87 113.62 99.83 1wi0 n SER 5 Ca 0.00 1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 59.35 1wi0 n SER 5 Cb 0.00 -4.60 0.14 0.00 -0.26 0.00 0.00 64.21 59.49 1wi0 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wi0 s SER 6 N -7.02 3.47 0.52 4.04 1.04 -1.26 -5.06 113.70 109.43 1wi0 s SER 6 Ca 0.00 0.85 0.06 0.00 0.48 0.00 0.00 55.95 57.35 1wi0 s SER 6 Cb 0.00 -1.35 0.03 0.00 0.10 0.00 0.00 66.02 64.80 1wi0 s SER 6 CO 0.00 -2.56 0.42 -0.83 0.98 0.00 0.00 173.24 171.25 1wi0 s GLY 7 N -4.18 2.27 -1.11 7.32 0.00 -1.26 -5.00 107.32 105.35 1wi0 s GLY 7 Ca 0.65 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.70 1wi0 s GLY 7 CO 0.53 -1.87 2.13 -1.55 0.00 0.00 0.00 173.10 172.33 1wi0 n PRO 8 N -1.74 2.23 -3.75 2.90 -0.04 -1.26 -4.81 135.00 128.52 1wi0 n PRO 8 Ca 0.01 -2.14 -0.21 0.00 -0.04 0.00 0.00 63.50 61.12 1wi0 n PRO 8 Cb 0.64 -3.03 -0.18 0.00 -0.04 0.00 0.00 33.50 30.89 1wi0 n PRO 8 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wi0 s PHE 9 N 3.97 0.39 0.13 0.54 5.36 -1.26 -5.00 117.98 122.11 1wi0 s PHE 9 Ca 0.52 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 1wi0 s PHE 9 Cb 0.14 -0.63 -0.11 0.00 -0.34 0.00 0.00 43.02 42.08 1wi0 s PHE 9 CO 0.01 -0.25 1.29 0.00 -1.46 0.00 0.00 175.22 174.81 1wi0 s ALA 11 N -3.15 3.69 -0.31 0.00 0.00 -1.26 -5.01 121.76 115.71 1wi0 s ALA 11 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1wi0 s ALA 11 Cb 0.09 -2.16 0.07 0.00 0.00 0.00 0.00 23.12 21.12 1wi0 s ALA 11 CO 0.86 0.11 1.08 0.00 0.00 0.00 0.00 175.76 177.81 1wi0 n MET 12 N -1.41 0.12 -2.94 0.00 0.00 -1.26 -5.06 117.12 106.58 1wi0 n MET 12 Ca -0.04 -0.64 -0.42 0.00 0.00 0.00 0.00 57.70 56.61 1wi0 n MET 12 Cb 0.55 -0.02 0.01 0.00 0.00 0.00 0.00 33.22 33.76 1wi0 n MET 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1wi0 n GLU 13 N -0.40 4.61 0.00 3.17 1.02 -1.26 -4.92 120.64 122.85 1wi0 n GLU 13 Ca -0.26 -4.59 0.00 0.00 -0.02 0.00 0.00 57.16 52.28 1wi0 n GLU 13 Cb 0.65 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1wi0 n GLU 13 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wi0 n ASN 14 N 0.97 0.00 -4.41 1.62 5.15 -1.26 -5.17 115.26 112.17 1wi0 n ASN 14 Ca 0.31 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.00 1wi0 n ASN 14 Cb 0.32 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.81 1wi0 n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wi0 s GLN 15 N -2.00 -0.85 0.26 1.20 -2.07 -1.26 -5.05 119.66 109.89 1wi0 s GLN 15 Ca 0.00 0.60 0.08 0.00 -1.82 0.00 0.00 55.36 54.21 1wi0 s GLN 15 Cb 0.00 -1.58 -0.04 0.00 -1.09 0.00 0.00 33.01 30.30 1wi0 s GLN 15 CO 0.00 -3.62 0.15 0.14 -1.32 0.00 0.00 175.29 170.65 1wi0 s VAL 16 N -2.62 4.09 0.30 3.63 -7.23 -1.26 -5.02 120.40 112.29 1wi0 s VAL 16 Ca 0.68 -1.53 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 1wi0 s VAL 16 Cb -0.21 -3.24 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 1wi0 s VAL 16 CO 0.62 -0.34 0.79 -0.22 -0.31 0.00 0.00 175.10 175.65 1wi0 s LEU 17 N -3.82 4.18 -0.17 1.32 2.96 0.20 -4.93 118.68 118.44 1wi0 s LEU 17 Ca 0.33 1.47 -0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1wi0 s LEU 17 Cb -0.07 -3.97 0.05 0.00 0.50 0.00 0.00 46.19 42.70 1wi0 s LEU 17 CO 0.24 -0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.45 1wi0 s VAL 18 N -1.80 0.76 -0.33 1.68 1.01 -1.26 0.21 120.40 120.68 1wi0 s VAL 18 Ca 0.51 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1wi0 s VAL 18 Cb -0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1wi0 s VAL 18 CO 0.19 -0.00 0.38 -0.63 0.00 0.00 0.00 175.10 175.03 1wi0 s ILE 19 N 1.77 5.15 -0.42 2.22 1.01 -0.98 -0.16 121.20 129.80 1wi0 s ILE 19 Ca 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 1wi0 s ILE 19 Cb -0.16 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1wi0 s ILE 19 CO -0.07 -0.05 0.57 -0.60 0.00 0.00 0.00 174.94 174.79 1wi0 s ARG 20 N 2.07 3.30 -0.38 2.79 3.52 -1.02 0.07 118.95 129.30 1wi0 s ARG 20 Ca 0.13 -0.43 -0.20 0.00 -0.13 0.00 0.00 55.73 55.11 1wi0 s ARG 20 Cb -0.16 -3.93 0.01 0.00 -1.56 0.00 0.00 34.95 29.31 1wi0 s ARG 20 CO 0.11 -0.90 0.61 0.42 -0.81 0.00 0.00 175.30 174.74 1wi0 s ILE 21 N 2.57 4.89 -0.53 4.11 1.09 0.15 -1.04 121.20 132.45 1wi0 s ILE 21 Ca 0.19 0.40 -0.27 0.00 -1.10 0.00 0.00 60.65 59.87 1wi0 s ILE 21 Cb -0.15 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.14 1wi0 s ILE 21 CO 0.17 -0.38 1.81 -0.75 -0.10 0.00 0.00 174.94 175.69 1wi0 s LYS 22 N 2.68 2.87 0.35 2.79 2.47 -1.13 -1.51 119.74 128.26 1wi0 s LYS 22 Ca 0.23 0.84 -0.27 0.00 -1.56 0.00 0.00 55.97 55.21 1wi0 s LYS 22 Cb -0.15 -4.31 -0.09 0.00 -1.46 0.00 0.00 37.83 31.82 1wi0 s LYS 22 CO 0.16 -2.43 1.15 0.42 0.16 0.00 0.00 175.35 174.81 1wi0 s ILE 23 N 8.27 3.26 -0.35 5.43 -1.09 -0.08 -4.56 121.20 132.07 1wi0 s ILE 23 Ca 0.70 1.15 -0.29 0.00 -2.23 0.00 0.00 60.65 59.98 1wi0 s ILE 23 Cb -0.15 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1wi0 s ILE 23 CO 0.25 0.18 1.38 -2.16 -1.23 0.00 0.00 174.94 173.36 1wi0 s PRO 24 N -1.95 3.73 -0.80 2.79 0.04 -1.26 -3.86 135.00 133.69 1wi0 s PRO 24 Ca 0.52 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1wi0 s PRO 24 Cb -0.32 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.26 1wi0 s PRO 24 CO 0.40 -1.37 0.65 0.09 0.04 0.00 0.00 177.00 176.82 1wi0 n ASN 25 N 8.30 -6.13 0.09 6.66 4.13 -1.26 -4.80 115.26 122.25 1wi0 n ASN 25 Ca 0.16 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.83 1wi0 n ASN 25 Cb 0.47 -3.28 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 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 -2.26 -1.54 0.00 6.41 7.64 -1.25 -5.15 113.62 117.46 1wi0 n SER 26 Ca -0.18 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wi0 n SER 26 Cb 0.61 1.68 0.00 0.00 -1.01 0.00 0.00 64.21 65.48 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 -1.32 -0.36 3.64 0.23 0.00 -1.25 -5.04 105.19 101.09 1wi0 n GLY 27 Ca 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.05 0.13 4.61 0.00 -1.26 -0.91 121.76 121.28 1wi0 s ALA 28 Ca 0.00 1.92 0.05 0.00 0.00 0.00 0.00 51.96 53.94 1wi0 s ALA 28 Cb 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1wi0 s ALA 28 CO 0.00 -0.25 0.05 0.54 0.00 0.00 0.00 175.76 176.10 1wi0 s VAL 29 N 0.43 4.13 -0.25 0.00 0.11 -0.57 -4.88 120.40 119.37 1wi0 s VAL 29 Ca 0.01 -1.11 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 1wi0 s VAL 29 Cb -0.05 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.78 1wi0 s VAL 29 CO -0.09 -0.01 -0.03 1.51 -3.33 0.00 0.00 175.10 173.15 1wi0 s ASP 30 N -2.72 4.46 -0.57 3.54 -4.77 -1.26 0.34 116.67 115.69 1wi0 s ASP 30 Ca 0.28 -0.75 -0.22 0.00 -3.30 0.00 0.00 52.55 48.56 1wi0 s ASP 30 Cb -0.11 -1.72 0.05 0.00 -1.09 0.00 0.00 42.92 40.06 1wi0 s ASP 30 CO 0.20 -0.12 0.86 0.86 0.70 0.00 0.00 175.17 177.67 1wi0 s TRP 31 N 1.39 2.83 -0.55 2.11 -0.00 0.11 -4.88 118.94 119.95 1wi0 s TRP 31 Ca 0.02 -0.31 -0.26 0.00 -0.00 0.00 0.00 56.10 55.55 1wi0 s TRP 31 Cb -0.16 -4.00 -0.05 0.00 -0.00 0.00 0.00 33.47 29.26 1wi0 s TRP 31 CO -0.03 -1.35 2.18 -0.08 -0.00 0.00 0.00 176.95 177.67 1wi0 s THR 32 N 3.61 3.15 -0.24 5.86 -1.32 -1.26 -2.31 115.64 123.13 1wi0 s THR 32 Ca 0.24 0.08 -0.10 0.00 -1.21 0.00 0.00 61.69 60.71 1wi0 s THR 32 Cb -0.16 -3.41 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 1wi0 s THR 32 CO 0.15 -0.39 0.13 -0.69 -2.21 0.00 0.00 174.62 171.61 1wi0 s VAL 33 N 10.95 5.06 -0.15 5.08 1.01 0.13 -4.94 120.40 137.54 1wi0 s VAL 33 Ca 0.85 0.08 0.17 0.00 0.00 0.00 0.00 61.98 63.08 1wi0 s VAL 33 Cb -0.15 -3.36 -0.25 0.00 0.00 0.00 0.00 36.38 32.62 1wi0 s VAL 33 CO 0.23 0.34 0.28 1.41 0.00 0.00 0.00 175.10 177.36 1wi0 n HIS 34 N 4.47 0.25 -2.07 5.22 8.25 -1.26 0.60 115.22 130.68 1wi0 n HIS 34 Ca -0.15 0.09 -0.39 0.00 -0.26 0.00 0.00 57.72 57.01 1wi0 n HIS 34 Cb 0.52 -0.98 0.02 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.76 7.42 -0.36 0.41 7.64 -1.26 -4.74 113.62 119.97 1wi0 n SER 35 Ca -0.25 -3.72 0.02 0.00 1.01 0.00 0.00 58.87 55.93 1wi0 n SER 35 Cb 1.05 -1.12 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.21 -1.81 0.12 0.23 0.00 -1.26 -0.72 105.19 101.54 1wi0 n GLY 36 Ca 0.52 1.06 -0.16 0.00 0.00 0.00 0.00 46.02 47.44 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 0.29 -2.42 1.61 0.13 -1.97 -3.31 132.00 126.33 1wi0 h PRO 37 Ca 0.40 -0.28 -0.42 0.00 -0.87 0.00 0.00 66.00 64.83 1wi0 h PRO 37 Cb 0.64 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 1wi0 h PRO 37 CO -0.98 0.96 1.43 0.94 -0.23 0.00 0.00 178.00 180.13 1wi0 n GLN 38 N -4.40 2.80 -5.03 0.86 7.27 0.10 -4.83 117.38 114.15 1wi0 n GLN 38 Ca -0.09 -1.64 -0.28 0.00 0.07 0.00 0.00 57.00 55.05 1wi0 n GLN 38 Cb 0.55 -2.35 -0.16 0.00 2.41 0.00 0.00 30.24 30.69 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 -0.14 2.00 0.24 1.69 2.96 -0.77 -4.76 118.68 119.91 1wi0 s LEU 39 Ca 0.67 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1wi0 s LEU 39 Cb 0.26 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1wi0 s LEU 39 CO -0.04 0.21 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.43 1wi0 s LEU 40 N -0.18 3.20 0.10 -0.68 1.43 -1.26 -4.90 118.68 116.38 1wi0 s LEU 40 Ca -0.00 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.19 1wi0 s LEU 40 Cb -0.11 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.23 1wi0 s LEU 40 CO 0.02 0.02 1.61 0.15 0.23 0.00 0.00 176.35 178.38 1wi0 h PHE 41 N 2.10 -0.93 -0.48 0.29 3.57 -1.91 -2.89 116.94 116.69 1wi0 h PHE 41 Ca -0.45 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.13 1wi0 h PHE 41 Cb 1.24 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 40.25 1wi0 h PHE 41 CO 0.67 -0.49 -0.48 0.00 -2.23 0.00 0.00 178.31 175.78 1wi0 h ARG 42 N -0.71 -0.30 -0.84 1.11 -0.00 -1.98 0.14 114.38 111.79 1wi0 h ARG 42 Ca -0.02 0.02 0.17 0.00 -0.50 0.00 0.00 59.98 59.65 1wi0 h ARG 42 Cb 0.65 0.07 -0.16 0.00 0.00 0.00 0.00 29.97 30.53 1wi0 h ARG 42 CO -0.07 -0.20 -0.22 -0.25 0.00 0.00 0.00 179.97 179.23 1wi0 n ASP 43 N -5.39 -0.32 0.02 7.04 8.00 -1.11 0.20 116.55 124.98 1wi0 n ASP 43 Ca -0.01 1.45 -0.10 0.00 0.71 0.00 0.00 54.79 56.84 1wi0 n ASP 43 Cb 0.35 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1wi0 n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1wi0 h VAL 44 N 0.00 0.53 -0.54 2.53 2.07 -0.57 0.33 116.25 120.61 1wi0 h VAL 44 Ca 0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.92 1wi0 h VAL 44 Cb 0.61 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1wi0 h VAL 44 CO -0.87 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 176.99 1wi0 h LEU 45 N -0.26 0.63 -1.47 2.57 -0.00 0.28 0.63 115.31 117.69 1wi0 h LEU 45 Ca 0.09 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.88 1wi0 h LEU 45 Cb 0.38 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1wi0 h LEU 45 CO -0.24 0.48 -0.27 0.44 -0.00 0.00 0.00 178.44 178.84 1wi0 h ASP 46 N 0.73 0.00 0.00 -0.43 3.32 0.30 -0.39 116.42 119.95 1wi0 h ASP 46 Ca 0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1wi0 h ASP 46 Cb -0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1wi0 h ASP 46 CO -0.04 0.27 -0.19 0.58 -1.72 0.00 0.00 179.24 178.15 1wi0 h VAL 47 N 0.00 0.07 -1.09 -1.35 2.07 0.20 -3.34 116.25 112.81 1wi0 h VAL 47 Ca -0.00 -1.06 0.33 0.00 0.82 0.00 0.00 66.70 66.79 1wi0 h VAL 47 Cb 0.51 0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 30.29 1wi0 h VAL 47 CO 0.04 0.02 0.67 0.40 0.02 0.00 0.00 177.57 178.72 1wi0 h ILE 48 N -1.00 0.33 -0.80 4.57 2.04 0.13 1.45 117.51 124.23 1wi0 h ILE 48 Ca -0.01 -0.10 0.22 0.00 1.00 0.00 0.00 64.86 65.97 1wi0 h ILE 48 Cb 0.22 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1wi0 h ILE 48 CO -0.00 0.06 0.56 1.23 0.00 0.00 0.00 178.15 180.00 1wi0 h GLY 49 N 0.30 0.21 1.97 5.37 0.00 -1.18 1.13 103.07 110.87 1wi0 h GLY 49 Ca 0.71 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 47.82 1wi0 h GLY 49 CO -0.47 0.00 -0.86 1.46 0.00 0.00 0.00 176.54 176.68 1wi0 h GLN 50 N 0.10 0.00 0.15 4.80 4.20 0.19 -2.71 115.11 121.84 1wi0 h GLN 50 Ca 0.39 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.90 1wi0 h GLN 50 Cb 1.39 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.19 1wi0 h GLN 50 CO -0.05 0.82 -0.90 0.28 -0.67 0.00 0.00 178.83 178.32 1wi0 h VAL 51 N 0.00 1.47 -2.86 -0.54 2.07 0.41 -3.39 116.25 113.42 1wi0 h VAL 51 Ca -0.01 -2.54 -0.61 0.00 0.82 0.00 0.00 66.70 64.35 1wi0 h VAL 51 Cb 1.65 3.17 -0.42 0.00 -1.52 0.00 0.00 31.29 34.17 1wi0 h VAL 51 CO 0.11 0.72 -0.59 0.18 0.02 0.00 0.00 177.57 178.01 1wi0 n LEU 52 N -4.09 3.10 0.24 2.57 4.32 0.33 -4.87 117.00 118.60 1wi0 n LEU 52 Ca -0.15 -5.25 0.13 0.00 -0.02 0.00 0.00 56.01 50.73 1wi0 n LEU 52 Cb 0.85 -0.70 0.40 0.00 -1.62 0.00 0.00 43.42 42.35 1wi0 n LEU 52 CO 0.49 1.83 0.86 1.55 -1.22 0.00 0.00 177.39 180.90 1wi0 h PRO 53 N 5.10 0.00 -0.01 3.23 0.13 -1.69 -2.84 132.00 135.93 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 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wi0 h PRO 53 CO 0.74 0.06 -0.62 -1.91 -0.23 0.00 0.00 178.00 176.04 1wi0 n GLU 54 N -3.14 0.96 -3.41 0.86 2.13 -1.26 -4.62 120.64 112.15 1wi0 n GLU 54 Ca 0.02 -0.67 -0.27 0.00 0.66 0.00 0.00 57.16 56.90 1wi0 n GLU 54 Cb 0.44 -1.45 -0.10 0.00 0.27 0.00 0.00 31.44 30.60 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wi0 n ALA 55 N -0.48 2.88 -0.66 4.31 0.00 -1.07 -4.85 120.51 120.63 1wi0 n ALA 55 Ca 0.07 -3.28 -0.23 0.00 0.00 0.00 0.00 53.44 50.00 1wi0 n ALA 55 Cb 0.41 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.20 1wi0 n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wi0 n THR 56 N 2.57 0.00 -3.64 0.00 5.66 -1.21 -4.67 114.28 112.99 1wi0 n THR 56 Ca 0.28 -0.10 -0.07 0.00 -3.05 0.00 0.00 64.05 61.11 1wi0 n THR 56 Cb 0.47 -0.40 -0.07 0.00 -1.55 0.00 0.00 70.33 68.78 1wi0 n THR 56 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wi0 s THR 57 N -2.10 0.00 -0.10 1.09 2.01 -1.26 -4.43 115.64 110.85 1wi0 s THR 57 Ca 0.38 0.00 0.15 0.00 0.31 0.00 0.00 61.69 62.53 1wi0 s THR 57 Cb -0.04 -1.00 0.23 0.00 0.01 0.00 0.00 72.50 71.69 1wi0 s THR 57 CO 0.44 0.00 1.11 0.41 -0.69 0.00 0.00 174.62 175.89 1wi0 n THR 58 N 3.59 1.60 0.00 -0.82 -1.04 -1.26 -4.82 114.28 111.53 1wi0 n THR 58 Ca -0.18 -1.89 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 1wi0 n THR 58 Cb 0.58 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.19 0.00 -3.25 2.41 0.00 -1.26 -4.78 120.51 112.44 1wi0 n ALA 59 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1wi0 n ALA 59 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.00 -0.28 0.15 0.00 -0.71 -1.07 -1.22 117.98 112.86 1wi0 s PHE 60 Ca 0.00 0.38 0.03 0.00 -1.04 0.00 0.00 56.93 56.30 1wi0 s PHE 60 Cb 0.00 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1wi0 s PHE 60 CO 0.00 -0.48 0.24 -1.21 -1.34 0.00 0.00 175.22 172.43 1wi0 s GLU 61 N -1.67 3.29 -0.11 1.99 2.02 -0.79 -0.32 118.70 123.11 1wi0 s GLU 61 Ca -0.11 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 1wi0 s GLU 61 Cb -0.03 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.37 1wi0 s GLU 61 CO 0.03 0.51 0.25 1.52 0.02 0.00 0.00 175.26 177.60 1wi0 s TYR 62 N -1.74 -0.36 0.21 1.61 -0.85 -0.87 -0.78 117.35 114.56 1wi0 s TYR 62 Ca 0.34 0.85 -0.32 0.00 -0.52 0.00 0.00 57.07 57.42 1wi0 s TYR 62 Cb -0.11 0.03 -0.12 0.00 0.38 0.00 0.00 41.96 42.13 1wi0 s TYR 62 CO 0.27 -0.27 1.69 0.39 -1.52 0.00 0.00 175.55 176.11 1wi0 n GLU 63 N 4.57 2.66 -0.27 -3.49 1.02 -1.22 -0.28 120.64 123.63 1wi0 n GLU 63 Ca -0.19 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1wi0 n GLU 63 Cb 0.52 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 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 3.75 0.00 0.15 1.62 5.75 -1.26 -4.87 116.55 121.70 1wi0 n ASP 64 Ca 0.16 -0.32 -0.09 0.00 -0.01 0.00 0.00 54.79 54.53 1wi0 n ASP 64 Cb 0.34 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 1wi0 n ASP 64 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wi0 h GLU 65 N 0.00 -0.48 0.00 0.11 5.08 -1.98 -0.98 114.58 116.33 1wi0 h GLU 65 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wi0 h GLU 65 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wi0 h GLU 65 CO 0.00 -0.32 0.00 -0.25 -1.00 0.00 0.00 179.01 177.44 1wi0 n ASP 66 N -3.84 0.54 -2.48 1.42 8.00 -1.26 -4.88 116.55 114.05 1wi0 n ASP 66 Ca -0.06 0.69 -0.05 0.00 0.71 0.00 0.00 54.79 56.08 1wi0 n ASP 66 Cb 0.23 -0.79 0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1wi0 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wi0 n GLY 67 N -0.73 -0.52 0.47 0.44 0.00 -0.37 -4.96 105.19 99.52 1wi0 n GLY 67 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 2.24 -2.58 1.61 2.03 -1.26 -4.81 116.55 111.68 1wi0 n ASP 68 Ca -0.02 -1.65 -0.05 0.00 0.52 0.00 0.00 54.79 53.58 1wi0 n ASP 68 Cb 0.54 -0.08 -0.04 0.00 -0.72 0.00 0.00 41.12 40.82 1wi0 n ASP 68 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wi0 n ARG 69 N 0.51 -4.62 -1.79 -0.67 5.12 -1.26 -4.94 116.66 109.01 1wi0 n ARG 69 Ca 0.08 3.46 -0.23 0.00 -1.93 0.00 0.00 57.85 59.23 1wi0 n ARG 69 Cb 0.32 -4.90 0.15 0.00 -1.16 0.00 0.00 32.46 26.86 1wi0 n ARG 69 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1wi0 n ILE 70 N 1.78 0.00 -3.84 0.55 2.08 0.62 -4.75 119.36 115.79 1wi0 n ILE 70 Ca -0.36 -0.97 -0.20 0.00 0.56 0.00 0.00 62.75 61.77 1wi0 n ILE 70 Cb 0.56 -1.39 -0.17 0.00 -0.75 0.00 0.00 39.64 37.88 1wi0 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1wi0 s THR 71 N -3.12 0.25 -0.41 1.39 2.01 -1.26 -2.06 115.64 112.44 1wi0 s THR 71 Ca 0.60 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.64 1wi0 s THR 71 Cb -0.02 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.16 1wi0 s THR 71 CO 0.41 0.21 0.25 -0.69 -0.69 0.00 0.00 174.62 174.11 1wi0 s VAL 72 N 1.62 4.38 -0.16 3.82 1.01 0.57 -4.85 120.40 126.80 1wi0 s VAL 72 Ca -0.01 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.79 1wi0 s VAL 72 Cb -0.13 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1wi0 s VAL 72 CO -0.03 -0.43 0.16 0.54 0.00 0.00 0.00 175.10 175.34 1wi0 n ARG 73 N 4.96 4.75 -3.89 2.72 1.74 -1.26 -2.61 116.66 123.06 1wi0 n ARG 73 Ca -0.11 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 1wi0 n ARG 73 Cb 0.44 -0.76 -0.08 0.00 -1.02 0.00 0.00 32.46 31.04 1wi0 n ARG 73 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wi0 s SER 74 N -1.56 0.15 0.31 0.55 0.01 -1.26 -4.97 113.70 106.93 1wi0 s SER 74 Ca 0.01 -0.71 0.07 0.00 1.31 0.00 0.00 55.95 56.64 1wi0 s SER 74 Cb 0.03 0.33 0.81 0.00 0.21 0.00 0.00 66.02 67.40 1wi0 s SER 74 CO 0.17 -0.73 1.74 0.44 0.41 0.00 0.00 173.24 175.27 1wi0 h ASP 75 N 2.77 0.64 -0.30 2.44 3.32 -1.97 -0.62 116.42 122.71 1wi0 h ASP 75 Ca -0.34 0.13 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1wi0 h ASP 75 Cb 1.20 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 1wi0 h ASP 75 CO 0.57 0.13 -0.53 -0.33 -1.72 0.00 0.00 179.24 177.36 1wi0 h GLU 76 N 0.60 -0.45 -0.96 3.56 5.08 -2.00 0.11 114.58 120.52 1wi0 h GLU 76 Ca 0.61 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 59.09 1wi0 h GLU 76 Cb 1.10 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 1wi0 h GLU 76 CO -0.46 -0.30 0.60 0.93 -1.00 0.00 0.00 179.01 178.79 1wi0 h GLU 77 N -0.46 1.01 0.10 2.33 5.08 -1.48 -2.66 114.58 118.49 1wi0 h GLU 77 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wi0 h GLU 77 Cb 0.63 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wi0 h GLU 77 CO -0.53 0.67 -0.20 0.52 -1.00 0.00 0.00 179.01 178.47 1wi0 h MET 78 N 1.04 -0.31 -0.98 2.33 2.86 -0.10 0.11 114.93 119.88 1wi0 h MET 78 Ca 0.44 0.02 0.33 0.00 -2.06 0.00 0.00 59.70 58.43 1wi0 h MET 78 Cb 0.29 0.07 -0.17 0.00 0.06 0.00 0.00 31.60 31.85 1wi0 h MET 78 CO -0.21 -0.21 0.33 0.87 1.06 0.00 0.00 176.91 178.76 1wi0 h LYS 79 N -0.32 0.08 0.66 1.72 1.57 -0.80 0.60 116.57 120.07 1wi0 h LYS 79 Ca -0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wi0 h LYS 79 Cb 0.31 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1wi0 h LYS 79 CO -0.08 0.05 -0.38 0.00 -0.57 0.00 0.00 179.45 178.48 1wi0 h ALA 80 N 1.94 -0.99 -0.88 3.86 0.00 -0.96 1.28 119.26 123.52 1wi0 h ALA 80 Ca 0.71 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.59 1wi0 h ALA 80 Cb 1.66 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 1wi0 h ALA 80 CO -0.78 -1.07 0.44 1.98 0.00 0.00 0.00 179.25 179.83 1wi0 h MET 81 N -0.97 0.55 -0.25 0.00 1.85 0.26 0.53 114.93 116.89 1wi0 h MET 81 Ca -0.09 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 58.83 1wi0 h MET 81 Cb 0.78 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.68 1wi0 h MET 81 CO 0.11 0.36 -0.41 -0.07 -0.40 0.00 0.00 176.91 176.50 1wi0 h LEU 82 N 0.56 0.79 -0.25 3.39 3.38 -0.30 -1.10 115.31 121.78 1wi0 h LEU 82 Ca 0.51 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wi0 h LEU 82 Cb 0.82 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1wi0 h LEU 82 CO -0.42 1.16 0.09 0.28 0.09 0.00 0.00 178.44 179.64 1wi0 h SER 83 N 0.44 0.10 0.71 -0.43 0.02 0.40 -1.87 113.55 112.92 1wi0 h SER 83 Ca 0.02 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1wi0 h SER 83 Cb 1.01 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.57 1wi0 h SER 83 CO 0.09 0.09 -0.34 0.22 -1.14 0.00 0.00 176.83 175.75 1wi0 h TYR 84 N 0.20 -0.88 -0.91 3.45 3.20 -0.04 0.23 116.97 122.22 1wi0 h TYR 84 Ca 0.11 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 62.23 1wi0 h TYR 84 Cb 0.07 0.29 -0.17 0.00 1.54 0.00 0.00 36.73 38.47 1wi0 h TYR 84 CO -0.13 -0.55 0.08 0.98 -1.64 0.00 0.00 178.16 176.90 1wi0 n TYR 85 N -4.87 0.64 -0.03 -3.82 9.36 -0.42 0.57 117.16 118.59 1wi0 n TYR 85 Ca -0.12 1.10 -0.14 0.00 3.32 0.00 0.00 57.90 62.06 1wi0 n TYR 85 Cb 0.38 -1.22 -0.10 0.00 -0.63 0.00 0.00 39.34 37.76 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 0.22 -0.46 2.98 0.05 -1.23 1.60 116.97 120.13 1wi0 h TYR 86 Ca 0.58 -0.09 0.13 0.00 0.05 0.00 0.00 58.73 59.40 1wi0 h TYR 86 Cb 1.25 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1wi0 h TYR 86 CO -0.41 0.77 0.37 1.03 -1.05 0.00 0.00 178.16 178.87 1wi0 h SER 87 N -0.39 0.00 0.02 3.88 0.87 0.35 0.22 113.55 118.51 1wi0 h SER 87 Ca -0.01 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.17 1wi0 h SER 87 Cb 0.78 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 1wi0 h SER 87 CO 0.03 0.00 -2.16 1.07 -0.53 0.00 0.00 176.83 175.24 1wi0 n THR 88 N -4.16 1.56 -0.16 2.23 5.66 0.19 -4.02 114.28 115.58 1wi0 n THR 88 Ca 0.08 -0.40 -0.02 0.00 -3.05 0.00 0.00 64.05 60.66 1wi0 n THR 88 Cb 0.58 -1.77 0.05 0.00 -1.55 0.00 0.00 70.33 67.63 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 -0.56 0.53 -0.15 1.08 2.07 0.29 0.64 116.25 120.15 1wi0 h VAL 89 Ca -0.55 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1wi0 h VAL 89 Cb 1.69 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1wi0 h VAL 89 CO -0.21 0.01 0.13 0.00 0.02 0.00 0.00 177.57 177.52 1wi0 h MET 90 N 0.05 0.00 0.00 1.57 -0.00 -0.78 0.15 114.93 115.92 1wi0 h MET 90 Ca 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.79 1wi0 h MET 90 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.97 1wi0 h MET 90 CO -0.49 0.00 -0.77 0.93 -0.00 0.00 0.00 176.91 176.59 1wi0 h GLU 91 N 0.00 0.00 0.00 -0.10 4.39 0.04 -2.88 114.58 116.04 1wi0 h GLU 91 Ca 0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1wi0 h GLU 91 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1wi0 h GLU 91 CO -0.00 0.77 -0.18 1.96 -1.16 0.00 0.00 179.01 180.39 1wi0 h GLN 92 N 0.00 0.00 0.09 2.33 4.20 0.14 -2.68 115.11 119.20 1wi0 h GLN 92 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1wi0 h GLN 92 Cb 1.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1wi0 h GLN 92 CO 0.10 0.18 -0.86 1.96 -0.67 0.00 0.00 178.83 179.54 1wi0 h GLN 93 N 0.00 0.19 -0.17 1.46 4.20 -1.40 -1.91 115.11 117.49 1wi0 h GLN 93 Ca -0.00 -0.33 0.05 0.00 0.06 0.00 0.00 58.65 58.43 1wi0 h GLN 93 Cb 0.68 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1wi0 h GLN 93 CO 0.02 1.16 0.18 -0.39 -0.67 0.00 0.00 178.83 179.13 1wi0 h VAL 94 N -0.54 0.51 0.00 -0.54 -1.51 -1.43 -2.22 116.25 110.51 1wi0 h VAL 94 Ca -0.18 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.25 1wi0 h VAL 94 Cb 1.51 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1wi0 h VAL 94 CO 0.06 0.00 -0.34 0.78 -1.23 0.00 0.00 177.57 176.84 1wi0 h ASN 95 N 0.00 0.00 0.00 4.19 2.35 -1.53 -3.50 115.58 117.09 1wi0 h ASN 95 Ca 0.08 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1wi0 h ASN 95 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1wi0 h ASN 95 CO -0.00 0.90 0.00 0.61 -1.65 0.00 0.00 177.43 177.29 1wi0 n GLY 96 N 1.63 3.68 3.02 2.83 0.00 -0.73 -5.11 105.19 110.51 1wi0 n GLY 96 Ca -0.11 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -2.09 1.61 10.64 -1.16 -4.81 117.38 121.56 1wi0 n GLN 97 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1wi0 n GLN 97 Cb 0.00 -0.93 0.02 0.00 -0.86 0.00 0.00 30.24 28.47 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 4.61 3.64 0.41 2.61 1.43 -1.26 -4.35 118.68 125.76 1wi0 s LEU 98 Ca 0.53 2.15 -0.24 0.00 -1.03 0.00 0.00 54.13 55.55 1wi0 s LEU 98 Cb -0.47 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.09 1wi0 s LEU 98 CO 0.61 -1.38 1.08 -0.63 0.23 0.00 0.00 176.35 176.26 1wi0 s ILE 99 N -1.90 3.57 0.13 -0.59 -1.09 -1.26 -4.98 121.20 115.08 1wi0 s ILE 99 Ca 0.72 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 60.38 1wi0 s ILE 99 Cb -0.24 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1wi0 s ILE 99 CO 0.32 0.00 0.12 -1.61 -1.23 0.00 0.00 174.94 172.54 1wi0 s GLU 100 N -2.54 2.93 0.48 2.79 0.41 -1.26 -5.10 118.70 116.41 1wi0 s GLU 100 Ca 0.59 -0.79 -0.20 0.00 -0.41 0.00 0.00 54.97 54.16 1wi0 s GLU 100 Cb -0.24 -2.70 -0.08 0.00 -1.78 0.00 0.00 34.13 29.33 1wi0 s GLU 100 CO 0.29 0.52 1.04 -1.25 -0.49 0.00 0.00 175.26 175.37 1wi0 s PRO 101 N -2.85 3.81 -0.97 0.39 0.04 -1.26 -4.88 135.00 129.28 1wi0 s PRO 101 Ca 0.31 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1wi0 s PRO 101 Cb -0.11 -2.11 -0.19 0.00 0.04 0.00 0.00 34.50 32.13 1wi0 s PRO 101 CO 0.23 -0.43 1.97 -0.11 0.04 0.00 0.00 177.00 178.71 1wi0 n LEU 102 N -0.94 2.17 -4.59 -3.56 7.94 0.78 -4.74 117.00 114.04 1wi0 n LEU 102 Ca 0.09 -2.66 -0.48 0.00 -1.11 0.00 0.00 56.01 51.85 1wi0 n LEU 102 Cb 0.52 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.88 1wi0 n LEU 102 CO 0.40 -2.53 1.67 1.67 -1.11 0.00 0.00 177.39 177.49 1wi0 n GLN 103 N 8.07 1.81 -3.59 1.96 7.27 -1.26 -2.43 117.38 129.21 1wi0 n GLN 103 Ca 0.44 0.59 -0.17 0.00 0.07 0.00 0.00 57.00 57.92 1wi0 n GLN 103 Cb 0.46 -2.74 -0.05 0.00 2.41 0.00 0.00 30.24 30.32 1wi0 n GLN 103 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1wi0 n ILE 104 N 6.38 0.00 -3.67 1.69 -5.35 -0.21 -3.45 119.36 114.76 1wi0 n ILE 104 Ca 0.30 -1.55 -0.09 0.00 -0.27 0.00 0.00 62.75 61.14 1wi0 n ILE 104 Cb 0.31 0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 38.64 1wi0 n ILE 104 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1wi0 s PHE 105 N -2.49 -0.78 -0.52 4.28 0.40 0.04 -2.83 117.98 116.08 1wi0 s PHE 105 Ca 0.12 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.70 1wi0 s PHE 105 Cb 0.01 0.34 0.01 0.00 0.51 0.00 0.00 43.02 43.89 1wi0 s PHE 105 CO 0.08 -0.45 1.47 -1.25 0.70 0.00 0.00 175.22 175.78 1wi0 s PRO 106 N 2.18 3.31 -0.43 0.24 0.04 -1.26 -1.89 135.00 137.18 1wi0 s PRO 106 Ca -0.05 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 1wi0 s PRO 106 Cb -0.10 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1wi0 s PRO 106 CO -0.14 -1.92 1.46 1.03 0.04 0.00 0.00 177.00 177.47 1wi0 s ARG 107 N 5.52 3.49 -0.07 4.56 0.52 -0.35 -4.81 118.95 127.79 1wi0 s ARG 107 Ca 0.57 0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 56.57 1wi0 s ARG 107 Cb -0.12 -4.06 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1wi0 s ARG 107 CO 0.27 -1.68 -0.21 -1.13 0.02 0.00 0.00 175.30 172.57 1wi0 n SER 108 N 9.16 1.58 0.00 0.23 3.41 -1.26 -4.07 113.62 122.68 1wi0 n SER 108 Ca 0.17 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wi0 n SER 108 Cb 0.48 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1wi0 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi0 n GLY 109 N 2.26 0.79 0.11 5.00 0.00 -1.26 -4.85 105.19 107.24 1wi0 n GLY 109 Ca -0.10 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 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 8.69 -0.15 -6.82 1.61 0.13 -2.04 -3.46 132.00 129.96 1wi0 h PRO 110 Ca 0.00 0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.65 1wi0 h PRO 110 Cb 0.00 0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.18 1wi0 h PRO 110 CO 0.00 0.30 0.06 -1.54 -0.23 0.00 0.00 178.00 176.58 1wi0 s SER 111 N -5.59 6.35 1.02 1.44 1.04 -1.26 -5.05 113.70 111.66 1wi0 s SER 111 Ca -0.12 0.91 -0.15 0.00 0.48 0.00 0.00 55.95 57.07 1wi0 s SER 111 Cb -0.00 -2.23 0.06 0.00 0.10 0.00 0.00 66.02 63.94 1wi0 s SER 111 CO 0.44 -0.46 0.20 -1.20 0.98 0.00 0.00 173.24 173.19 1wi0 n SER 112 N -1.82 -2.29 0.00 7.02 7.64 -1.26 -5.07 113.62 117.83 1wi0 n SER 112 Ca 0.00 0.14 0.05 0.00 1.01 0.00 0.00 58.87 60.07 1wi0 n SER 112 Cb 0.55 -1.09 0.31 0.00 -1.01 0.00 0.00 64.21 62.97 1wi0 n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64