#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 -0.15 0.77 1.61 0.01 -1.26 -5.18 113.70 109.51 1wi0 s SER 2 Ca 0.00 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1wi0 s SER 2 Cb 0.00 0.66 0.12 0.00 0.21 0.00 0.00 66.02 67.01 1wi0 s SER 2 CO 0.00 -1.25 1.08 -0.94 0.41 0.00 0.00 173.24 172.54 1wi0 s SER 3 N -2.98 4.23 0.00 2.44 1.04 -1.26 -5.09 113.70 112.08 1wi0 s SER 3 Ca 0.17 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1wi0 s SER 3 Cb -0.03 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1wi0 s SER 3 CO 0.08 -1.97 0.00 0.61 0.98 0.00 0.00 173.24 172.95 1wi0 n GLY 4 N -3.09 4.12 3.00 7.32 0.00 -1.26 -5.16 105.19 110.12 1wi0 n GLY 4 Ca 0.12 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1wi0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi0 s SER 5 N 1.00 -0.06 0.60 1.61 0.01 -1.26 -5.16 113.70 110.43 1wi0 s SER 5 Ca 0.00 0.47 0.10 0.00 1.31 0.00 0.00 55.95 57.83 1wi0 s SER 5 Cb 0.00 0.39 0.10 0.00 0.21 0.00 0.00 66.02 66.72 1wi0 s SER 5 CO 0.00 -0.18 0.82 -0.94 0.41 0.00 0.00 173.24 173.35 1wi0 s SER 6 N 1.49 5.02 -0.24 2.44 1.04 -1.26 -4.90 113.70 117.29 1wi0 s SER 6 Ca -0.07 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.44 1wi0 s SER 6 Cb -0.11 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1wi0 s SER 6 CO -0.08 -1.42 0.08 0.61 0.98 0.00 0.00 173.24 173.41 1wi0 n GLY 7 N -2.30 -4.50 0.15 7.32 0.00 -1.26 -4.99 105.19 99.61 1wi0 n GLY 7 Ca 0.17 0.83 -0.07 0.00 0.00 0.00 0.00 46.02 46.95 1wi0 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi0 h PRO 8 N 3.07 -0.28 -6.00 1.61 0.13 -2.07 -3.45 132.00 125.01 1wi0 h PRO 8 Ca -0.19 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 1wi0 h PRO 8 Cb 0.42 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.56 1wi0 h PRO 8 CO 0.06 -0.06 -0.25 -0.06 -0.23 0.00 0.00 178.00 177.45 1wi0 s PHE 9 N -2.74 3.67 -0.04 1.56 0.08 -1.26 -5.09 117.98 114.16 1wi0 s PHE 9 Ca -0.07 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.87 1wi0 s PHE 9 Cb 0.00 -2.20 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1wi0 s PHE 9 CO 0.23 0.62 -0.09 0.00 -0.10 0.00 0.00 175.22 175.88 1wi0 n ALA 11 N 3.55 -1.15 -3.65 0.00 0.00 -1.26 -5.18 120.51 112.83 1wi0 n ALA 11 Ca -0.21 -1.42 0.01 0.00 0.00 0.00 0.00 53.44 51.82 1wi0 n ALA 11 Cb 0.53 1.14 -0.06 0.00 0.00 0.00 0.00 19.45 21.06 1wi0 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wi0 s MET 12 N -2.40 0.11 0.11 0.00 0.23 -1.26 -4.80 119.30 111.28 1wi0 s MET 12 Ca 0.22 0.18 0.03 0.00 -1.03 0.00 0.00 55.69 55.09 1wi0 s MET 12 Cb -0.03 0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 1wi0 s MET 12 CO 0.16 -0.02 -0.09 -1.21 -2.03 0.00 0.00 175.02 171.83 1wi0 s GLU 13 N 0.96 0.87 0.49 3.16 0.41 -1.26 -5.09 118.70 118.24 1wi0 s GLU 13 Ca -0.06 -1.24 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1wi0 s GLU 13 Cb -0.03 -0.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.86 1wi0 s GLU 13 CO -0.11 0.05 0.00 0.09 -0.49 0.00 0.00 175.26 174.80 1wi0 n ASN 14 N 0.29 -8.49 -4.11 -0.19 4.13 -1.26 -4.82 115.26 100.81 1wi0 n ASN 14 Ca -0.14 1.06 -0.35 0.00 1.68 0.00 0.00 54.58 56.83 1wi0 n ASN 14 Cb 0.59 -4.64 0.09 0.00 -1.54 0.00 0.00 39.78 34.28 1wi0 n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wi0 n GLN 15 N -4.29 -0.76 -2.97 3.52 10.64 -1.26 -4.95 117.38 117.31 1wi0 n GLN 15 Ca -0.04 -0.21 -0.27 0.00 -1.83 0.00 0.00 57.00 54.64 1wi0 n GLN 15 Cb 0.67 -1.31 -0.01 0.00 -0.86 0.00 0.00 30.24 28.72 1wi0 n GLN 15 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1wi0 s VAL 16 N -2.10 4.95 0.13 -0.39 -7.23 -1.26 -4.91 120.40 109.59 1wi0 s VAL 16 Ca 0.44 0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.63 1wi0 s VAL 16 Cb 0.01 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.07 1wi0 s VAL 16 CO 0.65 -0.63 0.43 -0.22 -0.31 0.00 0.00 175.10 175.02 1wi0 s LEU 17 N -4.26 4.29 -0.24 1.32 2.96 0.31 -4.96 118.68 118.10 1wi0 s LEU 17 Ca 0.46 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1wi0 s LEU 17 Cb -0.10 -3.22 0.07 0.00 0.50 0.00 0.00 46.19 43.44 1wi0 s LEU 17 CO 0.38 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.78 1wi0 s VAL 18 N -1.55 1.42 -0.41 1.68 1.01 -1.26 0.08 120.40 121.37 1wi0 s VAL 18 Ca 0.38 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 1wi0 s VAL 18 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1wi0 s VAL 18 CO 0.21 -0.18 0.56 -0.63 0.00 0.00 0.00 175.10 175.06 1wi0 s ILE 19 N 1.43 4.94 -0.61 2.22 1.01 -0.92 -0.21 121.20 129.06 1wi0 s ILE 19 Ca -0.03 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 1wi0 s ILE 19 Cb -0.19 -4.10 0.14 0.00 0.01 0.00 0.00 42.46 38.32 1wi0 s ILE 19 CO -0.08 -0.44 0.62 -0.60 0.00 0.00 0.00 174.94 174.44 1wi0 s ARG 20 N 2.55 3.12 0.00 2.79 3.52 -0.85 0.15 118.95 130.23 1wi0 s ARG 20 Ca 0.19 -1.72 -0.30 0.00 -0.13 0.00 0.00 55.73 53.78 1wi0 s ARG 20 Cb -0.15 -4.33 -0.07 0.00 -1.56 0.00 0.00 34.95 28.84 1wi0 s ARG 20 CO 0.16 -1.40 1.61 0.42 -0.81 0.00 0.00 175.30 175.28 1wi0 s ILE 21 N 1.72 3.41 -0.65 4.11 1.09 0.19 -2.26 121.20 128.81 1wi0 s ILE 21 Ca 0.09 0.70 -0.27 0.00 -1.10 0.00 0.00 60.65 60.06 1wi0 s ILE 21 Cb -0.25 -3.45 0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1wi0 s ILE 21 CO 0.02 -0.03 1.43 -0.75 -0.10 0.00 0.00 174.94 175.51 1wi0 s LYS 22 N 3.21 3.14 0.28 2.79 2.47 0.29 -1.66 119.74 130.26 1wi0 s LYS 22 Ca 0.72 0.17 -0.29 0.00 -1.56 0.00 0.00 55.97 55.01 1wi0 s LYS 22 Cb -0.35 -4.19 -0.09 0.00 -1.46 0.00 0.00 37.83 31.73 1wi0 s LYS 22 CO 0.30 -2.17 1.03 0.42 0.16 0.00 0.00 175.35 175.09 1wi0 s ILE 23 N 6.42 3.77 -0.18 5.43 -1.09 -0.40 -4.46 121.20 130.69 1wi0 s ILE 23 Ca 0.47 1.71 -0.29 0.00 -2.23 0.00 0.00 60.65 60.31 1wi0 s ILE 23 Cb -0.10 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1wi0 s ILE 23 CO 0.20 0.35 1.29 -2.16 -1.23 0.00 0.00 174.94 173.39 1wi0 s PRO 24 N -1.51 4.18 -0.82 2.79 0.04 -1.26 -3.72 135.00 134.70 1wi0 s PRO 24 Ca 0.45 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 1wi0 s PRO 24 Cb -0.28 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1wi0 s PRO 24 CO 0.35 -0.77 0.60 0.09 0.04 0.00 0.00 177.00 177.31 1wi0 n ASN 25 N 6.79 -4.90 0.00 6.66 3.02 -1.26 -4.72 115.26 120.85 1wi0 n ASN 25 Ca 0.14 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1wi0 n ASN 25 Cb 0.45 -1.72 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 1wi0 n ASN 25 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wi0 n SER 26 N -2.58 0.00 0.00 6.41 7.64 -1.25 -5.15 113.62 118.69 1wi0 n SER 26 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1wi0 n SER 26 Cb 0.69 0.19 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 -1.19 -0.07 3.65 0.23 0.00 -1.24 -5.05 105.19 101.52 1wi0 n GLY 27 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.20 -0.05 4.61 0.00 -1.26 -1.28 121.76 120.58 1wi0 s ALA 28 Ca 0.00 1.70 -0.00 0.00 0.00 0.00 0.00 51.96 53.66 1wi0 s ALA 28 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1wi0 s ALA 28 CO 0.00 -0.12 -0.01 0.08 0.00 0.00 0.00 175.76 175.71 1wi0 s VAL 29 N 0.00 4.12 -0.22 0.00 1.01 -0.66 -4.88 120.40 119.77 1wi0 s VAL 29 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1wi0 s VAL 29 Cb -0.05 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1wi0 s VAL 29 CO -0.15 0.53 0.26 1.51 0.00 0.00 0.00 175.10 177.25 1wi0 s ASP 30 N -1.10 6.27 -0.49 3.32 -4.77 -1.26 0.54 116.67 119.17 1wi0 s ASP 30 Ca 0.15 0.30 -0.14 0.00 -3.30 0.00 0.00 52.55 49.56 1wi0 s ASP 30 Cb -0.11 -2.16 0.10 0.00 -1.09 0.00 0.00 42.92 39.65 1wi0 s ASP 30 CO 0.05 0.01 0.41 0.86 0.70 0.00 0.00 175.17 177.21 1wi0 s TRP 31 N 1.10 3.27 -0.51 2.11 -0.00 0.40 -4.92 118.94 120.39 1wi0 s TRP 31 Ca 0.13 -1.20 -0.26 0.00 -0.00 0.00 0.00 56.10 54.77 1wi0 s TRP 31 Cb -0.14 -3.40 -0.08 0.00 -0.00 0.00 0.00 33.47 29.86 1wi0 s TRP 31 CO 0.06 -0.90 2.43 -2.37 -0.00 0.00 0.00 176.95 176.17 1wi0 n THR 32 N 5.17 -0.09 -4.00 5.86 5.66 -1.26 -2.16 114.28 123.46 1wi0 n THR 32 Ca -0.12 -0.78 -0.35 0.00 -3.05 0.00 0.00 64.05 59.75 1wi0 n THR 32 Cb 0.42 -2.73 -0.11 0.00 -1.55 0.00 0.00 70.33 66.36 1wi0 n THR 32 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wi0 s VAL 33 N 12.25 4.48 -0.23 1.08 1.01 0.11 -4.96 120.40 134.14 1wi0 s VAL 33 Ca 0.99 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1wi0 s VAL 33 Cb -0.20 -3.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.96 1wi0 s VAL 33 CO 0.26 0.43 -0.13 1.41 0.00 0.00 0.00 175.10 177.07 1wi0 n HIS 34 N 3.99 0.00 -1.53 5.22 8.25 -1.26 0.11 115.22 130.00 1wi0 n HIS 34 Ca -0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.00 1wi0 n HIS 34 Cb 0.52 -0.95 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 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 -3.06 6.97 -0.31 0.41 7.64 -1.26 -4.57 113.62 119.44 1wi0 n SER 35 Ca -0.40 -2.98 -0.01 0.00 1.01 0.00 0.00 58.87 56.49 1wi0 n SER 35 Cb 1.01 -1.34 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 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 4.95 0.17 1.17 0.23 0.00 -1.91 0.21 103.07 107.89 1wi0 h GLY 36 Ca 0.50 0.43 -0.25 0.00 0.00 0.00 0.00 47.33 48.02 1wi0 h GLY 36 CO 1.04 -0.24 -0.92 -0.56 0.00 0.00 0.00 176.54 175.85 1wi0 h PRO 37 N -0.05 0.72 -2.04 4.80 0.13 -1.93 -3.28 132.00 130.35 1wi0 h PRO 37 Ca 0.33 -0.70 -0.34 0.00 -0.87 0.00 0.00 66.00 64.42 1wi0 h PRO 37 Cb 0.60 0.18 -0.11 0.00 0.13 0.00 0.00 31.00 31.80 1wi0 h PRO 37 CO -0.87 1.29 0.10 0.94 -0.23 0.00 0.00 178.00 179.23 1wi0 n GLN 38 N -3.91 2.27 -5.18 0.86 7.27 -0.02 -4.85 117.38 113.81 1wi0 n GLN 38 Ca -0.10 -1.63 -0.32 0.00 0.07 0.00 0.00 57.00 55.02 1wi0 n GLN 38 Cb 0.82 -2.09 -0.16 0.00 2.41 0.00 0.00 30.24 31.22 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 -0.93 2.22 0.27 1.69 2.96 -0.68 -4.78 118.68 119.43 1wi0 s LEU 39 Ca 0.64 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 1wi0 s LEU 39 Cb 0.34 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1wi0 s LEU 39 CO -0.09 0.28 0.08 -0.76 -1.32 0.00 0.00 176.35 174.54 1wi0 s LEU 40 N -0.37 3.42 0.22 -0.68 1.43 -1.26 -4.92 118.68 116.52 1wi0 s LEU 40 Ca 0.03 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1wi0 s LEU 40 Cb -0.12 -1.94 0.19 0.00 0.03 0.00 0.00 46.19 44.35 1wi0 s LEU 40 CO 0.02 -0.04 1.85 0.15 0.23 0.00 0.00 176.35 178.56 1wi0 h PHE 41 N 1.71 1.15 -0.28 0.29 3.57 -1.91 -2.64 116.94 118.84 1wi0 h PHE 41 Ca -0.46 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1wi0 h PHE 41 Cb 1.25 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1wi0 h PHE 41 CO 0.63 0.79 0.16 0.00 -2.23 0.00 0.00 178.31 177.66 1wi0 h ARG 42 N 1.19 0.38 -0.73 1.11 2.47 -1.95 -2.53 114.38 114.32 1wi0 h ARG 42 Ca 0.30 -0.04 0.15 0.00 -1.26 0.00 0.00 59.98 59.14 1wi0 h ARG 42 Cb -0.00 -0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 28.10 1wi0 h ARG 42 CO -0.05 0.32 -0.12 -0.44 0.56 0.00 0.00 179.97 180.24 1wi0 h ASP 43 N 0.34 -0.56 0.44 7.04 5.19 -1.88 1.56 116.42 128.54 1wi0 h ASP 43 Ca 0.10 0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1wi0 h ASP 43 Cb 0.05 0.41 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1wi0 h ASP 43 CO -0.02 -0.22 -0.45 0.58 -3.12 0.00 0.00 179.24 176.01 1wi0 h VAL 44 N 0.03 0.11 -0.87 -1.35 2.07 -1.30 0.22 116.25 115.15 1wi0 h VAL 44 Ca 0.37 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.00 1wi0 h VAL 44 Cb 0.60 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1wi0 h VAL 44 CO -0.72 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 177.37 1wi0 h LEU 45 N -0.90 0.74 -1.66 2.57 -0.00 -0.58 0.65 115.31 116.12 1wi0 h LEU 45 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1wi0 h LEU 45 Cb 0.80 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1wi0 h LEU 45 CO -0.07 0.42 -0.07 0.44 -0.00 0.00 0.00 178.44 179.16 1wi0 h ASP 46 N 0.81 0.11 0.00 -0.43 3.32 0.32 0.20 116.42 120.75 1wi0 h ASP 46 Ca 0.42 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1wi0 h ASP 46 Cb 0.50 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1wi0 h ASP 46 CO -0.18 0.20 -0.12 0.58 -1.72 0.00 0.00 179.24 178.01 1wi0 h VAL 47 N 0.12 0.16 -0.95 -1.35 2.07 0.30 -3.34 116.25 113.26 1wi0 h VAL 47 Ca 0.03 -1.13 0.30 0.00 0.82 0.00 0.00 66.70 66.71 1wi0 h VAL 47 Cb 0.21 0.31 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 1wi0 h VAL 47 CO 0.01 0.05 0.35 0.40 0.02 0.00 0.00 177.57 178.41 1wi0 h ILE 48 N -1.00 0.22 -1.19 4.57 2.04 0.11 1.44 117.51 123.69 1wi0 h ILE 48 Ca -0.01 -0.06 0.34 0.00 1.00 0.00 0.00 64.86 66.13 1wi0 h ILE 48 Cb 0.19 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 1wi0 h ILE 48 CO -0.00 0.03 0.82 1.23 0.00 0.00 0.00 178.15 180.22 1wi0 h GLY 49 N 0.18 0.58 1.98 5.37 0.00 -1.07 1.59 103.07 111.69 1wi0 h GLY 49 Ca 0.66 -0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.71 1wi0 h GLY 49 CO -0.70 -0.09 -0.92 1.46 0.00 0.00 0.00 176.54 176.28 1wi0 h GLN 50 N 0.15 0.00 0.03 4.80 4.20 0.18 -2.59 115.11 121.89 1wi0 h GLN 50 Ca 0.62 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.25 1wi0 h GLN 50 Cb 2.11 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.90 1wi0 h GLN 50 CO -0.16 0.90 -0.35 0.28 -0.67 0.00 0.00 178.83 178.83 1wi0 h VAL 51 N 0.00 1.59 -2.83 -0.54 2.07 0.21 -3.39 116.25 113.36 1wi0 h VAL 51 Ca -0.01 -2.19 -0.61 0.00 0.82 0.00 0.00 66.70 64.70 1wi0 h VAL 51 Cb 1.70 3.00 -0.42 0.00 -1.52 0.00 0.00 31.29 34.06 1wi0 h VAL 51 CO 0.12 0.60 -0.59 0.18 0.02 0.00 0.00 177.57 177.89 1wi0 n LEU 52 N -4.42 3.09 0.24 2.57 4.32 0.31 -4.87 117.00 118.24 1wi0 n LEU 52 Ca -0.11 -5.24 0.13 0.00 -0.02 0.00 0.00 56.01 50.77 1wi0 n LEU 52 Cb 0.58 -0.69 0.40 0.00 -1.62 0.00 0.00 43.42 42.10 1wi0 n LEU 52 CO 0.41 1.84 0.86 1.55 -1.22 0.00 0.00 177.39 180.82 1wi0 h PRO 53 N 5.07 0.00 -0.26 3.23 0.13 -1.66 -2.75 132.00 135.77 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 2.39 -3.43 0.86 1.02 -1.26 -4.80 120.64 112.27 1wi0 n GLU 54 Ca 0.02 -2.14 -0.14 0.00 -0.02 0.00 0.00 57.16 54.88 1wi0 n GLU 54 Cb 0.44 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi0 s ALA 55 N -1.61 -0.62 0.81 0.62 0.00 -1.03 -5.15 121.76 114.77 1wi0 s ALA 55 Ca 0.34 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1wi0 s ALA 55 Cb 0.21 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1wi0 s ALA 55 CO 0.30 -1.25 0.00 -2.37 0.00 0.00 0.00 175.76 172.44 1wi0 n THR 56 N 5.34 0.00 0.10 0.00 5.66 -1.26 -4.55 114.28 119.57 1wi0 n THR 56 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1wi0 n THR 56 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1wi0 n THR 56 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wi0 n THR 57 N -2.61 0.00 0.00 1.09 -1.04 -1.26 -3.88 114.28 106.58 1wi0 n THR 57 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wi0 n THR 57 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.90 0.00 -4.49 12.58 -1.04 -1.26 -4.38 114.28 112.79 1wi0 n THR 58 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1wi0 n THR 58 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.00 2.70 0.14 2.41 0.00 -1.26 -4.82 121.76 120.93 1wi0 s ALA 59 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 51.96 49.90 1wi0 s ALA 59 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1wi0 s ALA 59 CO 0.00 0.09 0.26 -0.59 0.00 0.00 0.00 175.76 175.52 1wi0 s PHE 60 N -2.71 0.31 0.10 0.00 -0.71 -1.13 -1.26 117.98 112.58 1wi0 s PHE 60 Ca 0.31 -0.69 0.09 0.00 -1.04 0.00 0.00 56.93 55.60 1wi0 s PHE 60 Cb 0.01 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1wi0 s PHE 60 CO 0.14 -0.67 -0.22 -1.21 -1.34 0.00 0.00 175.22 171.93 1wi0 s GLU 61 N -3.93 1.70 -0.05 1.99 2.02 -0.47 0.07 118.70 120.02 1wi0 s GLU 61 Ca 0.13 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1wi0 s GLU 61 Cb 0.04 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.26 1wi0 s GLU 61 CO -0.04 0.48 -0.03 1.52 0.02 0.00 0.00 175.26 177.21 1wi0 s TYR 62 N -1.04 0.74 0.30 1.61 -0.85 -0.98 -0.59 117.35 116.54 1wi0 s TYR 62 Ca 0.15 -0.21 -0.30 0.00 -0.52 0.00 0.00 57.07 56.19 1wi0 s TYR 62 Cb -0.10 -0.72 -0.12 0.00 0.38 0.00 0.00 41.96 41.40 1wi0 s TYR 62 CO 0.07 -0.24 1.49 0.39 -1.52 0.00 0.00 175.55 175.74 1wi0 n GLU 63 N 4.37 2.44 0.00 -3.49 1.02 -1.25 -1.04 120.64 122.69 1wi0 n GLU 63 Ca -0.20 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1wi0 n GLU 63 Cb 0.51 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1wi0 n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wi0 n ASP 64 N 1.71 0.19 0.37 1.62 2.03 -1.26 -4.87 116.55 116.34 1wi0 n ASP 64 Ca 0.08 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.21 1wi0 n ASP 64 Cb 0.36 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.87 -0.90 -0.67 4.81 -1.99 -2.39 114.58 112.58 1wi0 h GLU 65 Ca 0.00 0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 1wi0 h GLU 65 Cb 0.00 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1wi0 h GLU 65 CO 0.00 -0.57 0.21 -0.25 -0.73 0.00 0.00 179.01 177.67 1wi0 n ASP 66 N -5.47 3.54 -4.32 1.04 8.00 -1.26 -4.86 116.55 113.22 1wi0 n ASP 66 Ca -0.13 -2.75 -0.36 0.00 0.71 0.00 0.00 54.79 52.26 1wi0 n ASP 66 Cb 0.37 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.10 -0.34 0.00 0.44 0.00 -0.90 -4.75 105.19 99.55 1wi0 n GLY 67 Ca 0.26 0.12 0.13 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 -2.68 0.00 -2.86 1.61 2.03 -1.26 -4.71 116.55 108.68 1wi0 n ASP 68 Ca -0.04 -0.57 -0.03 0.00 0.52 0.00 0.00 54.79 54.68 1wi0 n ASP 68 Cb 0.54 -0.10 -0.02 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 -1.10 -2.87 -2.05 -0.67 5.12 -1.26 -4.93 116.66 108.91 1wi0 n ARG 69 Ca 0.17 2.30 -0.28 0.00 -1.93 0.00 0.00 57.85 58.11 1wi0 n ARG 69 Cb 0.13 -2.91 0.16 0.00 -1.16 0.00 0.00 32.46 28.68 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 -0.38 2.03 -0.09 0.55 -1.09 -0.21 -4.79 121.20 117.22 1wi0 s ILE 70 Ca -0.14 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1wi0 s ILE 70 Cb 0.01 -2.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1wi0 s ILE 70 CO 0.39 0.00 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.19 1wi0 s THR 71 N -3.71 0.59 -0.44 2.92 2.01 -1.26 -2.31 115.64 113.44 1wi0 s THR 71 Ca 0.71 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.50 1wi0 s THR 71 Cb -0.05 -0.73 0.05 0.00 0.01 0.00 0.00 72.50 71.78 1wi0 s THR 71 CO 0.51 0.25 0.34 -0.69 -0.69 0.00 0.00 174.62 174.34 1wi0 s VAL 72 N 1.88 5.11 -0.60 3.82 1.01 0.11 -4.85 120.40 126.89 1wi0 s VAL 72 Ca 0.04 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1wi0 s VAL 72 Cb -0.13 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1wi0 s VAL 72 CO -0.06 -0.45 0.49 0.54 0.00 0.00 0.00 175.10 175.62 1wi0 n ARG 73 N 5.15 2.51 -3.91 2.72 1.74 -1.26 -2.84 116.66 120.77 1wi0 n ARG 73 Ca -0.12 -0.45 -0.09 0.00 -0.77 0.00 0.00 57.85 56.42 1wi0 n ARG 73 Cb 0.45 -0.97 -0.07 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.12 0.04 0.27 0.55 0.15 -1.26 -5.00 113.70 107.33 1wi0 s SER 74 Ca 0.05 -0.77 -0.00 0.00 0.70 0.00 0.00 55.95 55.93 1wi0 s SER 74 Cb 0.05 0.42 0.51 0.00 -1.71 0.00 0.00 66.02 65.29 1wi0 s SER 74 CO 0.18 -0.85 1.83 0.44 1.20 0.00 0.00 173.24 176.03 1wi0 h ASP 75 N 2.58 0.86 -0.19 5.45 5.19 -1.97 -1.93 116.42 126.40 1wi0 h ASP 75 Ca -0.32 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 1wi0 h ASP 75 Cb 1.22 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.54 1wi0 h ASP 75 CO 0.50 0.46 -0.47 -0.08 -3.12 0.00 0.00 179.24 176.53 1wi0 h GLU 76 N 0.94 -0.47 -0.69 3.56 4.81 -2.01 -0.35 114.58 120.36 1wi0 h GLU 76 Ca 0.47 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.85 1wi0 h GLU 76 Cb 0.45 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 1wi0 h GLU 76 CO -0.26 -0.32 0.29 0.93 -0.73 0.00 0.00 179.01 178.92 1wi0 h GLU 77 N -0.49 0.46 -0.08 1.92 3.07 -1.73 -2.73 114.58 114.99 1wi0 h GLU 77 Ca 0.07 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1wi0 h GLU 77 Cb 0.64 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1wi0 h GLU 77 CO -0.45 0.30 -0.16 0.52 -1.40 0.00 0.00 179.01 177.83 1wi0 h MET 78 N 0.47 -0.13 -1.56 2.33 2.86 -0.52 0.41 114.93 118.79 1wi0 h MET 78 Ca 0.36 0.01 0.47 0.00 -2.06 0.00 0.00 59.70 58.48 1wi0 h MET 78 Cb 0.47 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 1wi0 h MET 78 CO -0.34 -0.09 1.09 0.87 1.06 0.00 0.00 176.91 179.51 1wi0 h LYS 79 N -0.14 0.04 0.41 1.72 6.56 -1.06 0.73 116.57 124.83 1wi0 h LYS 79 Ca 0.02 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 1wi0 h LYS 79 Cb 0.18 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1wi0 h LYS 79 CO -0.15 0.03 -0.19 0.00 -2.06 0.00 0.00 179.45 177.07 1wi0 h ALA 80 N 1.30 -0.55 -0.91 3.86 0.00 -0.04 0.20 119.26 123.12 1wi0 h ALA 80 Ca 0.80 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.70 1wi0 h ALA 80 Cb 2.98 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 20.88 1wi0 h ALA 80 CO -0.13 -0.61 0.50 1.98 0.00 0.00 0.00 179.25 180.98 1wi0 h MET 81 N -0.94 0.62 -0.03 0.00 1.85 0.29 0.45 114.93 117.18 1wi0 h MET 81 Ca -0.06 -0.04 -0.14 0.00 -0.61 0.00 0.00 59.70 58.86 1wi0 h MET 81 Cb 0.55 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 1wi0 h MET 81 CO 0.09 0.41 -0.62 -0.07 -0.40 0.00 0.00 176.91 176.32 1wi0 h LEU 82 N 0.64 0.12 -1.53 3.39 3.38 -0.99 -2.04 115.31 118.28 1wi0 h LEU 82 Ca 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wi0 h LEU 82 Cb 0.81 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wi0 h LEU 82 CO -0.40 0.71 0.00 -1.28 0.09 0.00 0.00 178.44 177.56 1wi0 h SER 83 N 0.08 0.00 0.00 -0.43 0.87 0.31 -2.49 113.55 111.89 1wi0 h SER 83 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1wi0 h SER 83 Cb 1.11 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 1wi0 h SER 83 CO 0.09 0.00 -1.39 0.00 -0.53 0.00 0.00 176.83 175.00 1wi0 n TYR 84 N -2.76 0.85 -0.17 2.24 9.36 -0.42 -2.96 117.16 123.30 1wi0 n TYR 84 Ca 0.00 0.37 -0.02 0.00 3.32 0.00 0.00 57.90 61.57 1wi0 n TYR 84 Cb 0.21 -1.05 0.05 0.00 -0.63 0.00 0.00 39.34 37.92 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 -0.22 -0.00 2.98 3.20 -1.29 0.99 116.97 121.63 1wi0 h TYR 85 Ca -0.37 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.42 1wi0 h TYR 85 Cb 1.29 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 1wi0 h TYR 85 CO 0.04 -0.21 -0.61 1.88 -1.64 0.00 0.00 178.16 177.62 1wi0 h TYR 86 N 0.03 0.00 0.00 -3.82 0.05 -1.65 1.70 116.97 113.28 1wi0 h TYR 86 Ca 0.26 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.92 1wi0 h TYR 86 Cb 0.40 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1wi0 h TYR 86 CO -0.42 0.61 -0.57 1.03 -1.05 0.00 0.00 178.16 177.77 1wi0 h SER 87 N 0.00 0.00 0.02 3.88 0.87 -0.72 -2.60 113.55 115.01 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 1.08 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 1wi0 h SER 87 CO 0.08 0.57 -2.21 1.07 -0.53 0.00 0.00 176.83 175.81 1wi0 n THR 88 N -3.75 1.57 -0.23 2.23 5.66 0.32 -4.08 114.28 116.00 1wi0 n THR 88 Ca -0.01 -0.44 0.04 0.00 -3.05 0.00 0.00 64.05 60.59 1wi0 n THR 88 Cb 0.59 -1.73 0.15 0.00 -1.55 0.00 0.00 70.33 67.79 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 -0.47 0.50 0.00 1.08 2.07 0.25 1.05 116.25 120.72 1wi0 h VAL 89 Ca -0.55 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1wi0 h VAL 89 Cb 1.74 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1wi0 h VAL 89 CO -0.19 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.43 1wi0 h MET 90 N 0.20 0.00 0.09 1.57 -0.00 -1.65 -0.88 114.93 114.27 1wi0 h MET 90 Ca 0.38 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.81 1wi0 h MET 90 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 1wi0 h MET 90 CO -0.52 0.01 -1.28 0.93 -0.00 0.00 0.00 176.91 176.05 1wi0 h GLU 91 N 0.00 0.19 0.00 -0.10 4.39 0.85 -3.12 114.58 116.79 1wi0 h GLU 91 Ca -0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1wi0 h GLU 91 Cb 0.03 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1wi0 h GLU 91 CO 0.00 1.11 0.00 1.96 -1.16 0.00 0.00 179.01 180.92 1wi0 h GLN 92 N 0.05 0.00 0.11 2.33 4.20 0.71 -0.03 115.11 122.49 1wi0 h GLN 92 Ca -0.14 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.24 1wi0 h GLN 92 Cb 1.94 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.70 1wi0 h GLN 92 CO 0.17 0.00 -1.79 1.96 -0.67 0.00 0.00 178.83 178.50 1wi0 h GLN 93 N 0.00 0.23 -0.06 1.46 4.20 -1.46 -3.00 115.11 116.49 1wi0 h GLN 93 Ca 0.00 -0.40 -0.17 0.00 0.06 0.00 0.00 58.65 58.15 1wi0 h GLN 93 Cb 0.26 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1wi0 h GLN 93 CO 0.00 1.07 -0.70 -0.39 -0.67 0.00 0.00 178.83 178.14 1wi0 h VAL 94 N 0.06 1.41 0.06 -0.54 -1.51 -1.34 -3.33 116.25 111.06 1wi0 h VAL 94 Ca -0.34 -2.17 -0.00 0.00 -1.23 0.00 0.00 66.70 62.96 1wi0 h VAL 94 Cb 2.04 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 33.33 1wi0 h VAL 94 CO 0.12 0.64 -0.03 0.78 -1.23 0.00 0.00 177.57 177.85 1wi0 h ASN 95 N 0.19 -0.07 0.00 4.19 2.35 -1.15 -3.50 115.58 117.59 1wi0 h ASN 95 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1wi0 h ASN 95 Cb 1.25 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1wi0 h ASN 95 CO 0.11 -0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 1wi0 n GLY 96 N 0.17 -0.10 2.95 2.83 0.00 -1.13 -5.10 105.19 104.81 1wi0 n GLY 96 Ca -0.01 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.64 1.61 10.64 -1.24 -4.83 117.38 121.92 1wi0 n GLN 97 Ca 0.00 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.88 1wi0 n GLN 97 Cb 0.00 -0.98 0.11 0.00 -0.86 0.00 0.00 30.24 28.51 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 7.59 2.31 0.64 2.61 0.05 -1.26 -4.43 118.68 126.19 1wi0 s LEU 98 Ca 0.40 1.01 -0.12 0.00 0.05 0.00 0.00 54.13 55.47 1wi0 s LEU 98 Cb -0.20 -3.47 -0.02 0.00 -2.05 0.00 0.00 46.19 40.45 1wi0 s LEU 98 CO 0.80 -2.20 1.04 -0.63 -0.55 0.00 0.00 176.35 174.81 1wi0 s ILE 99 N -3.32 4.24 0.15 1.48 -1.09 -1.26 -4.94 121.20 116.46 1wi0 s ILE 99 Ca 0.62 0.82 0.11 0.00 -2.23 0.00 0.00 60.65 59.97 1wi0 s ILE 99 Cb -0.14 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1wi0 s ILE 99 CO 0.52 -0.86 -0.25 -1.61 -1.23 0.00 0.00 174.94 171.52 1wi0 s GLU 100 N -4.81 1.49 0.43 2.79 0.41 -1.26 -5.12 118.70 112.63 1wi0 s GLU 100 Ca 0.58 -1.39 -0.23 0.00 -0.41 0.00 0.00 54.97 53.52 1wi0 s GLU 100 Cb -0.13 -1.91 -0.09 0.00 -1.78 0.00 0.00 34.13 30.22 1wi0 s GLU 100 CO 0.49 0.44 1.05 -1.25 -0.49 0.00 0.00 175.26 175.49 1wi0 s PRO 101 N -2.29 4.05 -0.97 0.39 0.04 -1.26 -4.88 135.00 130.07 1wi0 s PRO 101 Ca 0.17 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1wi0 s PRO 101 Cb -0.09 -2.41 -0.17 0.00 0.04 0.00 0.00 34.50 31.87 1wi0 s PRO 101 CO 0.08 -0.23 2.20 -1.17 0.04 0.00 0.00 177.00 177.92 1wi0 s LEU 102 N -2.90 2.65 -0.79 -3.56 2.96 0.71 -4.73 118.68 113.01 1wi0 s LEU 102 Ca 0.61 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 1wi0 s LEU 102 Cb -0.20 -2.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.81 1wi0 s LEU 102 CO 0.25 -4.19 2.22 -1.58 -1.32 0.00 0.00 176.35 171.73 1wi0 s GLN 103 N 8.39 2.02 0.25 1.98 0.74 -1.26 -2.01 119.66 129.76 1wi0 s GLN 103 Ca 0.84 0.31 0.06 0.00 0.05 0.00 0.00 55.36 56.62 1wi0 s GLN 103 Cb -0.08 -4.84 -0.03 0.00 1.10 0.00 0.00 33.01 29.16 1wi0 s GLN 103 CO 0.13 -3.90 0.30 0.96 -0.55 0.00 0.00 175.29 172.23 1wi0 s ILE 104 N 12.68 4.89 -0.11 -2.34 -4.36 -0.96 -3.82 121.20 127.18 1wi0 s ILE 104 Ca 0.84 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1wi0 s ILE 104 Cb -0.11 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.95 1wi0 s ILE 104 CO 0.07 -0.33 -0.09 -0.36 0.24 0.00 0.00 174.94 174.47 1wi0 s PHE 105 N -2.05 1.58 -0.45 1.37 0.08 0.24 -0.55 117.98 118.21 1wi0 s PHE 105 Ca 0.34 -0.78 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 1wi0 s PHE 105 Cb -0.09 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1wi0 s PHE 105 CO 0.28 -0.50 1.43 -1.25 -0.10 0.00 0.00 175.22 175.08 1wi0 s PRO 106 N 1.51 3.49 -1.09 0.24 0.04 -1.26 -1.37 135.00 136.55 1wi0 s PRO 106 Ca 0.02 0.84 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 1wi0 s PRO 106 Cb -0.13 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1wi0 s PRO 106 CO -0.07 -1.68 1.74 1.03 0.04 0.00 0.00 177.00 178.07 1wi0 s ARG 107 N 5.11 3.20 -0.39 4.56 0.52 -0.39 -4.92 118.95 126.64 1wi0 s ARG 107 Ca 0.60 -1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 54.39 1wi0 s ARG 107 Cb -0.13 -5.31 -0.01 0.00 0.52 0.00 0.00 34.95 30.03 1wi0 s ARG 107 CO 0.31 -2.88 1.66 0.45 0.02 0.00 0.00 175.30 174.86 1wi0 s SER 108 N 5.87 6.00 -0.16 0.23 0.15 -1.25 -4.10 113.70 120.44 1wi0 s SER 108 Ca 0.59 1.01 -0.29 0.00 0.70 0.00 0.00 55.95 57.96 1wi0 s SER 108 Cb -0.01 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 1wi0 s SER 108 CO 0.01 -1.68 0.87 -0.83 1.20 0.00 0.00 173.24 172.82 1wi0 s GLY 109 N 5.47 -0.38 -0.41 9.45 0.00 -1.26 -4.96 107.32 115.23 1wi0 s GLY 109 Ca 0.71 1.93 -0.29 0.00 0.00 0.00 0.00 44.72 47.08 1wi0 s GLY 109 CO 0.32 1.25 1.41 2.56 0.00 0.00 0.00 173.10 178.64 1wi0 s PRO 110 N -0.69 3.58 -0.29 2.90 0.04 -1.26 -4.65 135.00 134.63 1wi0 s PRO 110 Ca -0.03 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 1wi0 s PRO 110 Cb -0.02 -4.02 0.18 0.00 0.04 0.00 0.00 34.50 30.68 1wi0 s PRO 110 CO 0.03 -1.56 1.37 -1.54 0.04 0.00 0.00 177.00 175.34 1wi0 s SER 111 N 3.90 -0.09 0.02 6.66 1.04 -1.26 -5.12 113.70 118.85 1wi0 s SER 111 Ca 0.61 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1wi0 s SER 111 Cb -0.14 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1wi0 s SER 111 CO 0.32 -0.05 0.00 -1.20 0.98 0.00 0.00 173.24 173.30 1wi0 n SER 112 N 1.24 -8.53 0.00 7.02 7.64 -1.26 -4.92 113.62 114.81 1wi0 n SER 112 Ca -0.07 1.60 0.00 0.00 1.01 0.00 0.00 58.87 61.40 1wi0 n SER 112 Cb 0.57 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 1wi0 n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64