#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 4.53 -0.47 1.61 0.01 -1.26 -5.06 113.70 113.06 1wi0 s SER 2 Ca 0.00 -1.33 0.02 0.00 1.31 0.00 0.00 55.95 55.95 1wi0 s SER 2 Cb 0.00 -1.60 0.12 0.00 0.21 0.00 0.00 66.02 64.76 1wi0 s SER 2 CO 0.00 -0.20 0.22 -0.55 0.41 0.00 0.00 173.24 173.12 1wi0 s SER 3 N 1.15 4.74 0.00 2.44 0.15 -1.26 -5.00 113.70 115.93 1wi0 s SER 3 Ca -0.07 -2.60 0.00 0.00 0.70 0.00 0.00 55.95 53.98 1wi0 s SER 3 Cb -0.20 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1wi0 s SER 3 CO -0.04 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wi0 n GLY 4 N 3.72 3.61 0.51 9.45 0.00 -1.26 -5.12 105.19 116.10 1wi0 n GLY 4 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1wi0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi0 n SER 5 N 0.00 -0.96 -1.24 1.61 2.88 -1.26 -5.17 113.62 109.48 1wi0 n SER 5 Ca 0.00 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.22 1wi0 n SER 5 Cb 0.00 1.26 -0.06 0.00 -0.75 0.00 0.00 64.21 64.66 1wi0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi0 n SER 6 N -3.05 -6.70 -4.29 -3.46 7.64 -1.26 -4.78 113.62 97.72 1wi0 n SER 6 Ca 0.00 1.32 -0.41 0.00 1.01 0.00 0.00 58.87 60.79 1wi0 n SER 6 Cb 0.00 -4.16 -0.09 0.00 -1.01 0.00 0.00 64.21 58.95 1wi0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi0 s GLY 7 N -6.31 1.99 -0.70 0.23 0.00 -1.26 -5.03 107.32 96.24 1wi0 s GLY 7 Ca 0.00 -2.16 -0.26 0.00 0.00 0.00 0.00 44.72 42.30 1wi0 s GLY 7 CO 0.00 0.99 1.58 2.56 0.00 0.00 0.00 173.10 178.23 1wi0 s PRO 8 N 1.47 2.93 -0.33 2.90 0.04 -1.26 -4.90 135.00 135.85 1wi0 s PRO 8 Ca 0.03 0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.18 1wi0 s PRO 8 Cb -0.23 -4.36 0.14 0.00 0.04 0.00 0.00 34.50 30.09 1wi0 s PRO 8 CO 0.03 -2.47 0.30 0.12 0.04 0.00 0.00 177.00 175.02 1wi0 s PHE 9 N 7.39 -0.19 -0.44 0.56 5.36 -1.26 -4.97 117.98 124.44 1wi0 s PHE 9 Ca 0.51 -0.65 -0.11 0.00 -0.96 0.00 0.00 56.93 55.73 1wi0 s PHE 9 Cb -0.10 -0.53 0.01 0.00 -0.34 0.00 0.00 43.02 42.06 1wi0 s PHE 9 CO 0.16 -0.92 0.55 0.00 -1.46 0.00 0.00 175.22 173.54 1wi0 n ALA 11 N -0.63 0.00 -1.11 0.00 0.00 -1.26 -5.14 120.51 112.36 1wi0 n ALA 11 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1wi0 n ALA 11 Cb 0.43 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.02 1wi0 n ALA 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wi0 s MET 12 N -2.00 1.13 0.00 0.00 1.00 -1.26 -4.89 119.30 113.28 1wi0 s MET 12 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 55.69 56.59 1wi0 s MET 12 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 34.83 33.04 1wi0 s MET 12 CO 0.00 -2.35 0.00 -0.85 0.00 0.00 0.00 175.02 171.82 1wi0 n GLU 13 N -3.97 0.00 -3.39 2.03 0.28 -1.26 -5.10 120.64 109.23 1wi0 n GLU 13 Ca 0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 1wi0 n GLU 13 Cb 0.55 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.37 1wi0 n GLU 13 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1wi0 s ASN 14 N -0.87 6.60 1.07 -1.84 2.47 -1.26 -5.06 114.94 116.05 1wi0 s ASN 14 Ca 0.00 0.89 -0.19 0.00 0.42 0.00 0.00 52.86 53.98 1wi0 s ASN 14 Cb 0.00 -2.22 0.06 0.00 -1.45 0.00 0.00 41.25 37.65 1wi0 s ASN 14 CO 0.00 -0.10 -0.24 0.00 -3.72 0.00 0.00 177.10 173.05 1wi0 n GLN 15 N -0.27 -1.45 -2.43 0.43 10.64 -1.26 -4.97 117.38 118.07 1wi0 n GLN 15 Ca 0.00 -0.42 -0.26 0.00 -1.83 0.00 0.00 57.00 54.49 1wi0 n GLN 15 Cb 0.53 -1.51 0.03 0.00 -0.86 0.00 0.00 30.24 28.43 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 -2.15 3.58 0.03 -0.39 -7.23 -1.26 -4.97 120.40 108.00 1wi0 s VAL 16 Ca 0.48 -0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 60.51 1wi0 s VAL 16 Cb -0.06 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 1wi0 s VAL 16 CO 0.59 -0.42 0.32 -0.22 -0.31 0.00 0.00 175.10 175.05 1wi0 s LEU 17 N -4.97 4.37 -0.20 1.32 2.96 0.16 -4.99 118.68 117.33 1wi0 s LEU 17 Ca 0.54 0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 1wi0 s LEU 17 Cb -0.10 -2.76 0.05 0.00 0.50 0.00 0.00 46.19 43.88 1wi0 s LEU 17 CO 0.44 0.23 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.99 1wi0 s VAL 18 N -1.32 1.13 -0.27 1.68 1.01 -1.26 -0.26 120.40 121.11 1wi0 s VAL 18 Ca 0.29 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1wi0 s VAL 18 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1wi0 s VAL 18 CO 0.16 -0.05 0.31 -0.63 0.00 0.00 0.00 175.10 174.89 1wi0 s ILE 19 N 1.59 5.22 -0.51 2.22 1.01 -1.05 -0.39 121.20 129.30 1wi0 s ILE 19 Ca -0.02 0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 1wi0 s ILE 19 Cb -0.17 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.75 1wi0 s ILE 19 CO -0.07 0.19 0.49 -0.60 0.00 0.00 0.00 174.94 174.95 1wi0 s ARG 20 N 1.95 3.01 -0.59 2.79 3.52 -0.52 0.20 118.95 129.32 1wi0 s ARG 20 Ca 0.12 -1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 54.04 1wi0 s ARG 20 Cb -0.16 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 1wi0 s ARG 20 CO 0.10 -1.21 1.58 0.42 -0.81 0.00 0.00 175.30 175.38 1wi0 s ILE 21 N 1.87 3.60 -0.63 4.11 1.09 0.46 -2.57 121.20 129.12 1wi0 s ILE 21 Ca 0.06 0.45 -0.26 0.00 -1.10 0.00 0.00 60.65 59.80 1wi0 s ILE 21 Cb -0.26 -4.27 -0.07 0.00 -1.06 0.00 0.00 42.46 36.80 1wi0 s ILE 21 CO 0.06 -1.12 2.25 -0.54 -0.10 0.00 0.00 174.94 175.49 1wi0 s LYS 22 N 6.09 2.13 0.41 2.79 -0.14 -1.17 -2.06 119.74 127.80 1wi0 s LYS 22 Ca 0.57 0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 55.76 1wi0 s LYS 22 Cb -0.12 -4.64 -0.09 0.00 -1.68 0.00 0.00 37.83 31.30 1wi0 s LYS 22 CO 0.23 -3.46 1.37 0.42 -0.76 0.00 0.00 175.35 173.15 1wi0 s ILE 23 N 11.97 2.37 0.01 2.17 -1.09 0.75 -4.57 121.20 132.82 1wi0 s ILE 23 Ca 0.87 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 59.33 1wi0 s ILE 23 Cb -0.14 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1wi0 s ILE 23 CO 0.18 0.06 1.19 -2.16 -1.23 0.00 0.00 174.94 172.98 1wi0 s PRO 24 N -2.24 4.41 -1.40 2.79 0.04 -1.26 -3.08 135.00 134.26 1wi0 s PRO 24 Ca 0.57 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 1wi0 s PRO 24 Cb -0.41 -3.44 0.08 0.00 0.04 0.00 0.00 34.50 30.76 1wi0 s PRO 24 CO 0.54 -0.32 0.62 0.09 0.04 0.00 0.00 177.00 177.96 1wi0 n ASN 25 N 4.43 -4.15 0.00 6.66 3.02 -1.26 -4.85 115.26 119.11 1wi0 n ASN 25 Ca 0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1wi0 n ASN 25 Cb 0.47 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 1wi0 n ASN 25 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wi0 n SER 26 N -2.44 0.00 0.00 6.41 2.88 -1.18 -5.18 113.62 114.12 1wi0 n SER 26 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wi0 n SER 26 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wi0 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi0 n GLY 27 N 0.00 1.09 3.49 0.46 0.00 -1.26 -4.66 105.19 104.31 1wi0 n GLY 27 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.79 -1.64 0.16 4.61 0.00 -1.26 -0.17 121.76 119.67 1wi0 s ALA 28 Ca 0.00 2.01 -0.15 0.00 0.00 0.00 0.00 51.96 53.82 1wi0 s ALA 28 Cb 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.56 1wi0 s ALA 28 CO 0.00 -0.72 0.58 0.08 0.00 0.00 0.00 175.76 175.70 1wi0 s VAL 29 N 2.45 4.81 -0.25 0.00 1.01 -0.87 -4.77 120.40 122.78 1wi0 s VAL 29 Ca -0.06 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1wi0 s VAL 29 Cb -0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1wi0 s VAL 29 CO -0.17 0.23 0.10 -1.81 0.00 0.00 0.00 175.10 173.46 1wi0 s ASP 30 N -1.72 5.45 -0.57 3.32 1.01 -1.25 0.17 116.67 123.08 1wi0 s ASP 30 Ca 0.39 -0.11 -0.21 0.00 0.71 0.00 0.00 52.55 53.32 1wi0 s ASP 30 Cb -0.15 -1.98 0.06 0.00 1.01 0.00 0.00 42.92 41.86 1wi0 s ASP 30 CO 0.19 -0.01 0.80 0.86 0.21 0.00 0.00 175.17 177.22 1wi0 s TRP 31 N 1.49 2.89 -0.48 4.23 -0.00 0.53 -4.88 118.94 122.72 1wi0 s TRP 31 Ca 0.06 -0.48 -0.26 0.00 -0.00 0.00 0.00 56.10 55.41 1wi0 s TRP 31 Cb -0.15 -3.93 -0.07 0.00 -0.00 0.00 0.00 33.47 29.32 1wi0 s TRP 31 CO 0.05 -1.30 2.41 -0.08 -0.00 0.00 0.00 176.95 178.03 1wi0 s THR 32 N 3.30 3.00 -0.16 5.86 -1.32 -1.26 -2.52 115.64 122.54 1wi0 s THR 32 Ca 0.20 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.63 1wi0 s THR 32 Cb -0.18 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1wi0 s THR 32 CO 0.12 -0.01 0.00 -0.69 -2.21 0.00 0.00 174.62 171.83 1wi0 s VAL 33 N 12.12 4.25 -0.23 5.08 1.01 0.64 -4.98 120.40 138.28 1wi0 s VAL 33 Ca 0.98 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1wi0 s VAL 33 Cb -0.18 -2.88 -0.13 0.00 0.00 0.00 0.00 36.38 33.20 1wi0 s VAL 33 CO 0.26 0.49 -0.25 1.41 0.00 0.00 0.00 175.10 177.00 1wi0 n HIS 34 N 3.47 0.00 -1.70 5.22 8.25 -1.26 0.37 115.22 129.57 1wi0 n HIS 34 Ca -0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.89 1wi0 n HIS 34 Cb 0.52 -0.87 -0.01 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.61 7.58 -0.25 0.41 7.64 -1.26 -4.52 113.62 119.62 1wi0 n SER 35 Ca -0.44 -2.85 -0.05 0.00 1.01 0.00 0.00 58.87 56.54 1wi0 n SER 35 Cb 0.88 -1.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 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 6.95 -0.13 1.82 0.23 0.00 -1.94 0.98 103.07 110.99 1wi0 h GLY 36 Ca 0.73 0.48 -0.18 0.00 0.00 0.00 0.00 47.33 48.36 1wi0 h GLY 36 CO 1.68 -0.20 -0.80 -0.56 0.00 0.00 0.00 176.54 176.66 1wi0 h PRO 37 N -0.13 0.16 -1.63 4.80 0.13 -1.99 -3.19 132.00 130.15 1wi0 h PRO 37 Ca 0.25 -0.16 -0.30 0.00 -0.87 0.00 0.00 66.00 64.92 1wi0 h PRO 37 Cb 0.56 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.61 1wi0 h PRO 37 CO -0.75 0.88 0.35 1.04 -0.23 0.00 0.00 178.00 179.28 1wi0 n GLN 38 N -3.70 1.78 -4.41 0.86 3.00 0.20 -4.84 117.38 110.28 1wi0 n GLN 38 Ca -0.03 -1.45 -0.34 0.00 -0.01 0.00 0.00 57.00 55.18 1wi0 n GLN 38 Cb 0.75 -1.60 -0.15 0.00 0.00 0.00 0.00 30.24 29.24 1wi0 n GLN 38 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1wi0 s LEU 39 N -1.61 2.61 0.24 1.08 2.96 -0.41 -4.81 118.68 118.75 1wi0 s LEU 39 Ca 0.31 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1wi0 s LEU 39 Cb 0.23 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1wi0 s LEU 39 CO -0.02 0.08 0.38 -0.76 -1.32 0.00 0.00 176.35 174.70 1wi0 s LEU 40 N 0.88 4.28 0.15 -0.68 1.43 -1.26 -4.88 118.68 118.59 1wi0 s LEU 40 Ca -0.03 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1wi0 s LEU 40 Cb -0.15 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.16 1wi0 s LEU 40 CO -0.00 -0.08 1.77 0.15 0.23 0.00 0.00 176.35 178.41 1wi0 h PHE 41 N 1.31 0.28 -0.21 0.29 3.57 -1.90 -2.57 116.94 117.71 1wi0 h PHE 41 Ca -0.51 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.06 1wi0 h PHE 41 Cb 1.22 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1wi0 h PHE 41 CO 0.48 0.14 -0.13 0.00 -2.23 0.00 0.00 178.31 176.57 1wi0 h ARG 42 N 0.32 -0.11 -0.80 1.11 2.47 -1.95 -1.49 114.38 113.93 1wi0 h ARG 42 Ca 0.15 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.04 1wi0 h ARG 42 Cb 0.09 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 28.28 1wi0 h ARG 42 CO -0.12 -0.07 -0.21 -0.44 0.56 0.00 0.00 179.97 179.68 1wi0 h ASP 43 N -0.11 -0.79 -0.63 7.04 3.32 -1.87 1.69 116.42 125.06 1wi0 h ASP 43 Ca 0.12 0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.51 1wi0 h ASP 43 Cb 0.29 0.51 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1wi0 h ASP 43 CO -0.28 -0.27 0.24 0.58 -1.72 0.00 0.00 179.24 177.79 1wi0 h VAL 44 N -0.01 0.75 -0.34 -1.35 2.07 -1.06 0.44 116.25 116.76 1wi0 h VAL 44 Ca 0.38 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.63 1wi0 h VAL 44 Cb 0.59 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1wi0 h VAL 44 CO -0.83 0.08 -0.32 -0.07 0.02 0.00 0.00 177.57 176.45 1wi0 h LEU 45 N 0.42 0.76 -2.00 2.57 -0.00 0.13 0.64 115.31 117.83 1wi0 h LEU 45 Ca 0.32 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1wi0 h LEU 45 Cb 0.41 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1wi0 h LEU 45 CO -0.32 1.02 -0.09 0.44 -0.00 0.00 0.00 178.44 179.49 1wi0 h ASP 46 N 0.62 0.00 0.00 -0.43 5.19 0.43 -0.84 116.42 121.38 1wi0 h ASP 46 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1wi0 h ASP 46 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1wi0 h ASP 46 CO 0.07 0.09 -0.54 0.52 -3.12 0.00 0.00 179.24 176.26 1wi0 n VAL 47 N -3.51 1.34 -0.33 -1.35 0.31 0.13 -4.18 118.33 110.75 1wi0 n VAL 47 Ca -0.02 0.23 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 1wi0 n VAL 47 Cb 0.22 -2.34 0.23 0.00 -0.91 0.00 0.00 33.84 31.04 1wi0 n VAL 47 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1wi0 h ILE 48 N -0.94 0.09 -0.96 2.52 2.04 0.28 1.21 117.51 121.76 1wi0 h ILE 48 Ca 0.00 -0.01 0.29 0.00 1.00 0.00 0.00 64.86 66.14 1wi0 h ILE 48 Cb 0.54 0.06 -0.15 0.00 -0.74 0.00 0.00 36.82 36.53 1wi0 h ILE 48 CO 0.00 0.00 0.44 1.23 0.00 0.00 0.00 178.15 179.83 1wi0 h GLY 49 N 0.03 1.80 1.82 5.37 0.00 -1.34 1.59 103.07 112.34 1wi0 h GLY 49 Ca 0.53 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 1wi0 h GLY 49 CO -0.89 -0.43 -0.31 1.46 0.00 0.00 0.00 176.54 176.37 1wi0 h GLN 50 N 0.30 0.20 0.02 4.80 4.20 0.13 -1.57 115.11 123.19 1wi0 h GLN 50 Ca 0.66 -0.08 -0.26 0.00 0.06 0.00 0.00 58.65 59.03 1wi0 h GLN 50 Cb 1.44 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 29.23 1wi0 h GLN 50 CO -0.62 0.50 -1.04 0.28 -0.67 0.00 0.00 178.83 177.28 1wi0 h VAL 51 N 0.18 1.29 -2.86 -0.54 2.07 0.23 -3.37 116.25 113.25 1wi0 h VAL 51 Ca 0.03 -2.26 -0.61 0.00 0.82 0.00 0.00 66.70 64.67 1wi0 h VAL 51 Cb 0.64 2.45 -0.42 0.00 -1.52 0.00 0.00 31.29 32.44 1wi0 h VAL 51 CO 0.05 0.70 -0.60 0.18 0.02 0.00 0.00 177.57 177.91 1wi0 n LEU 52 N -3.88 3.01 0.23 2.57 4.32 0.21 -4.87 117.00 118.58 1wi0 n LEU 52 Ca -0.11 -5.22 0.12 0.00 -0.02 0.00 0.00 56.01 50.77 1wi0 n LEU 52 Cb 0.88 -0.67 0.37 0.00 -1.62 0.00 0.00 43.42 42.39 1wi0 n LEU 52 CO 0.56 1.83 0.82 1.55 -1.22 0.00 0.00 177.39 180.92 1wi0 h PRO 53 N 5.12 0.00 -0.25 3.23 0.13 -1.47 -2.74 132.00 136.02 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 0.73 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 1wi0 n GLU 54 N -3.19 2.44 -2.98 0.86 1.02 -1.26 -4.60 120.64 112.92 1wi0 n GLU 54 Ca 0.02 -2.14 -0.12 0.00 -0.02 0.00 0.00 57.16 54.89 1wi0 n GLU 54 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.43 -0.17 -0.71 0.62 0.00 -1.04 -5.15 120.51 115.50 1wi0 n ALA 55 Ca 0.17 -1.80 -0.26 0.00 0.00 0.00 0.00 53.44 51.55 1wi0 n ALA 55 Cb 0.60 -1.22 0.12 0.00 0.00 0.00 0.00 19.45 18.95 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 2.77 0.00 -3.63 0.00 5.66 -1.19 -4.66 114.28 113.23 1wi0 n THR 56 Ca 0.21 -0.11 -0.12 0.00 -3.05 0.00 0.00 64.05 60.98 1wi0 n THR 56 Cb 0.54 -0.37 -0.07 0.00 -1.55 0.00 0.00 70.33 68.88 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 -3.84 115.64 111.44 1wi0 s THR 57 Ca 0.39 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1wi0 s THR 57 Cb -0.03 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 1wi0 s THR 57 CO 0.49 0.00 -0.04 0.41 -0.69 0.00 0.00 174.62 174.79 1wi0 n THR 58 N 2.52 0.64 -4.57 -0.82 -1.04 -1.26 -4.81 114.28 104.94 1wi0 n THR 58 Ca -0.13 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.30 1wi0 n THR 58 Cb 0.55 -0.84 -0.09 0.00 -1.82 0.00 0.00 70.33 68.13 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 -2.22 3.06 -0.05 2.41 0.00 -1.26 -4.85 121.76 118.85 1wi0 s ALA 59 Ca -0.10 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 1wi0 s ALA 59 Cb 0.03 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.70 1wi0 s ALA 59 CO 0.31 -0.23 0.60 -0.59 0.00 0.00 0.00 175.76 175.86 1wi0 s PHE 60 N -3.09 -0.56 0.20 0.00 -0.71 -1.22 -2.15 117.98 110.44 1wi0 s PHE 60 Ca 0.25 0.97 0.06 0.00 -1.04 0.00 0.00 56.93 57.17 1wi0 s PHE 60 Cb 0.05 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1wi0 s PHE 60 CO 0.13 -0.56 0.18 -1.21 -1.34 0.00 0.00 175.22 172.42 1wi0 s GLU 61 N -1.17 2.98 -0.15 1.99 2.02 0.41 -1.87 118.70 122.91 1wi0 s GLU 61 Ca -0.11 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 53.89 1wi0 s GLU 61 Cb -0.01 -2.65 0.05 0.00 0.10 0.00 0.00 34.13 31.62 1wi0 s GLU 61 CO 0.09 0.46 0.36 1.52 0.02 0.00 0.00 175.26 177.70 1wi0 s TYR 62 N -1.89 -0.50 0.30 1.61 -0.85 -1.13 0.14 117.35 115.03 1wi0 s TYR 62 Ca 0.32 1.11 -0.30 0.00 -0.52 0.00 0.00 57.07 57.68 1wi0 s TYR 62 Cb -0.09 0.19 -0.11 0.00 0.38 0.00 0.00 41.96 42.33 1wi0 s TYR 62 CO 0.25 -0.30 1.56 -1.21 -1.52 0.00 0.00 175.55 174.33 1wi0 s GLU 63 N 1.23 4.14 0.00 -3.49 2.02 -1.13 -1.28 118.70 120.18 1wi0 s GLU 63 Ca -0.08 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1wi0 s GLU 63 Cb -0.08 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1wi0 s GLU 63 CO -0.10 -0.59 0.00 -0.40 0.02 0.00 0.00 175.26 174.19 1wi0 n ASP 64 N 1.88 0.00 0.06 -0.19 5.75 -0.88 -4.83 116.55 118.34 1wi0 n ASP 64 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.72 1wi0 n ASP 64 Cb 0.38 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.12 -0.41 0.11 4.11 -1.95 -2.04 114.58 114.29 1wi0 h GLU 65 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1wi0 h GLU 65 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wi0 h GLU 65 CO 0.00 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 178.92 1wi0 n ASP 66 N -5.06 1.38 -0.72 3.06 8.00 -1.26 -4.82 116.55 117.13 1wi0 n ASP 66 Ca -0.08 -2.07 -0.09 0.00 0.71 0.00 0.00 54.79 53.25 1wi0 n ASP 66 Cb 0.15 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.60 1.10 3.63 0.44 0.00 -0.77 -4.95 105.19 105.25 1wi0 n GLY 67 Ca 0.07 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1wi0 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi0 s ASP 68 N -2.86 6.53 -0.59 1.61 1.11 -1.26 -4.36 116.67 116.85 1wi0 s ASP 68 Ca 0.00 1.40 -0.26 0.00 0.18 0.00 0.00 52.55 53.87 1wi0 s ASP 68 Cb 0.00 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 1wi0 s ASP 68 CO 0.00 -1.17 2.20 -0.13 1.18 0.00 0.00 175.17 177.25 1wi0 s ARG 69 N 4.42 2.25 1.07 8.23 1.81 -1.26 -2.07 118.95 133.41 1wi0 s ARG 69 Ca 0.64 0.94 -0.16 0.00 -1.72 0.00 0.00 55.73 55.42 1wi0 s ARG 69 Cb -0.21 -4.57 0.23 0.00 -0.45 0.00 0.00 34.95 29.96 1wi0 s ARG 69 CO 0.26 -3.22 1.16 0.42 -0.68 0.00 0.00 175.30 173.24 1wi0 s ILE 70 N 11.29 1.81 -0.06 1.52 -1.09 -0.41 -4.74 121.20 129.52 1wi0 s ILE 70 Ca 0.85 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 59.25 1wi0 s ILE 70 Cb -0.14 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1wi0 s ILE 70 CO 0.21 0.00 0.02 -0.89 -1.23 0.00 0.00 174.94 173.05 1wi0 s THR 71 N -3.26 0.21 -0.42 2.92 2.01 -1.26 -2.85 115.64 113.00 1wi0 s THR 71 Ca 0.70 0.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 1wi0 s THR 71 Cb -0.10 -0.41 0.07 0.00 0.01 0.00 0.00 72.50 72.06 1wi0 s THR 71 CO 0.55 0.22 0.28 -0.69 -0.69 0.00 0.00 174.62 174.29 1wi0 s VAL 72 N 2.04 4.50 -1.11 3.82 1.01 -0.78 -4.86 120.40 125.01 1wi0 s VAL 72 Ca 0.05 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 60.89 1wi0 s VAL 72 Cb -0.12 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1wi0 s VAL 72 CO -0.05 -0.47 0.76 0.54 0.00 0.00 0.00 175.10 175.88 1wi0 n ARG 73 N 4.99 0.71 -4.02 2.72 1.74 -1.26 -3.45 116.66 118.09 1wi0 n ARG 73 Ca -0.11 -0.96 -0.11 0.00 -0.77 0.00 0.00 57.85 55.90 1wi0 n ARG 73 Cb 0.44 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.89 0.16 0.20 0.55 0.15 -1.26 -5.03 113.70 107.57 1wi0 s SER 74 Ca 0.10 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 55.56 1wi0 s SER 74 Cb 0.08 0.61 0.12 0.00 -1.71 0.00 0.00 66.02 65.12 1wi0 s SER 74 CO 0.14 -1.19 1.76 -2.24 1.20 0.00 0.00 173.24 172.91 1wi0 h ASP 75 N 2.23 0.98 -0.21 5.45 2.03 -1.98 -2.63 116.42 122.28 1wi0 h ASP 75 Ca -0.28 -0.17 0.05 0.00 -0.73 0.00 0.00 57.03 55.91 1wi0 h ASP 75 Cb 1.25 -0.25 -0.07 0.00 -0.83 0.00 0.00 39.33 39.42 1wi0 h ASP 75 CO 0.38 0.88 -0.43 -0.08 -1.03 0.00 0.00 179.24 178.96 1wi0 h GLU 76 N 1.02 -0.43 -0.89 4.15 4.81 -2.00 0.49 114.58 121.73 1wi0 h GLU 76 Ca 0.24 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.63 1wi0 h GLU 76 Cb 0.20 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.59 1wi0 h GLU 76 CO -0.02 -0.29 0.50 0.93 -0.73 0.00 0.00 179.01 179.40 1wi0 h GLU 77 N -0.45 0.73 0.11 1.92 3.07 -1.88 -2.27 114.58 115.81 1wi0 h GLU 77 Ca 0.09 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1wi0 h GLU 77 Cb 0.62 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1wi0 h GLU 77 CO -0.45 0.48 -0.14 0.52 -1.40 0.00 0.00 179.01 178.02 1wi0 h MET 78 N 0.75 -0.25 -1.24 2.33 2.86 -0.59 0.15 114.93 118.94 1wi0 h MET 78 Ca 0.46 0.02 0.42 0.00 -2.06 0.00 0.00 59.70 58.54 1wi0 h MET 78 Cb 0.57 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.15 1wi0 h MET 78 CO -0.32 -0.17 0.78 0.87 1.06 0.00 0.00 176.91 179.13 1wi0 h LYS 79 N -0.26 0.10 0.55 1.72 1.57 -0.91 0.73 116.57 120.07 1wi0 h LYS 79 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1wi0 h LYS 79 Cb 0.24 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1wi0 h LYS 79 CO -0.04 0.07 -0.26 0.00 -0.57 0.00 0.00 179.45 178.65 1wi0 h ALA 80 N 1.68 -0.73 -0.90 3.86 0.00 -0.69 1.07 119.26 123.55 1wi0 h ALA 80 Ca 0.81 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.70 1wi0 h ALA 80 Cb 2.42 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 20.39 1wi0 h ALA 80 CO -0.48 -0.81 0.47 1.98 0.00 0.00 0.00 179.25 180.41 1wi0 h MET 81 N -0.94 0.60 -0.06 0.00 1.85 0.31 0.24 114.93 116.93 1wi0 h MET 81 Ca -0.07 -0.04 -0.21 0.00 -0.61 0.00 0.00 59.70 58.77 1wi0 h MET 81 Cb 0.63 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.52 1wi0 h MET 81 CO 0.12 0.40 -0.82 -0.07 -0.40 0.00 0.00 176.91 176.14 1wi0 h LEU 82 N 0.62 0.57 -1.59 3.39 3.38 -0.71 -1.72 115.31 119.24 1wi0 h LEU 82 Ca 0.51 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wi0 h LEU 82 Cb 0.79 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1wi0 h LEU 82 CO -0.40 1.18 0.23 0.28 0.09 0.00 0.00 178.44 179.82 1wi0 h SER 83 N 0.30 0.44 0.05 -0.43 0.02 0.42 -2.31 113.55 112.04 1wi0 h SER 83 Ca -0.05 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wi0 h SER 83 Cb 1.42 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1wi0 h SER 83 CO 0.15 0.34 -0.03 0.22 -1.14 0.00 0.00 176.83 176.37 1wi0 h TYR 84 N 0.51 -0.07 -0.84 3.45 3.20 -0.58 -2.27 116.97 120.38 1wi0 h TYR 84 Ca 0.14 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.22 1wi0 h TYR 84 Cb -0.03 0.02 -0.16 0.00 1.54 0.00 0.00 36.73 38.11 1wi0 h TYR 84 CO 0.00 -0.04 -0.05 0.98 -1.64 0.00 0.00 178.16 177.41 1wi0 n TYR 85 N -4.35 0.47 -0.05 -3.82 9.36 -0.66 0.19 117.16 118.29 1wi0 n TYR 85 Ca -0.01 1.01 -0.16 0.00 3.32 0.00 0.00 57.90 62.06 1wi0 n TYR 85 Cb 0.03 -1.09 -0.06 0.00 -0.63 0.00 0.00 39.34 37.59 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 1.08 0.00 2.98 0.05 -1.55 1.66 116.97 121.19 1wi0 h TYR 86 Ca 0.48 -0.43 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1wi0 h TYR 86 Cb 0.93 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.48 1wi0 h TYR 86 CO -0.49 1.26 -0.10 1.03 -1.05 0.00 0.00 178.16 178.81 1wi0 h SER 87 N 0.59 0.00 0.06 3.88 0.87 0.26 0.17 113.55 119.37 1wi0 h SER 87 Ca -0.02 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.16 1wi0 h SER 87 Cb 1.26 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 1wi0 h SER 87 CO 0.14 0.10 -2.27 1.07 -0.53 0.00 0.00 176.83 175.34 1wi0 n THR 88 N -4.35 1.62 0.04 2.23 5.66 0.26 -4.04 114.28 115.70 1wi0 n THR 88 Ca -0.03 -0.61 -0.10 0.00 -3.05 0.00 0.00 64.05 60.26 1wi0 n THR 88 Cb 0.18 -1.56 -0.04 0.00 -1.55 0.00 0.00 70.33 67.36 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 0.03 0.57 -0.58 1.08 2.07 0.27 0.66 116.25 120.35 1wi0 h VAL 89 Ca -0.51 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.18 1wi0 h VAL 89 Cb 1.96 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1wi0 h VAL 89 CO -0.01 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.02 1wi0 h MET 90 N -0.26 0.00 -0.02 1.57 -0.00 -1.16 0.34 114.93 115.40 1wi0 h MET 90 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.57 1wi0 h MET 90 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 1wi0 h MET 90 CO -0.20 0.00 -0.84 0.93 -0.00 0.00 0.00 176.91 176.81 1wi0 h GLU 91 N 0.00 0.28 0.00 -0.10 4.39 -1.08 -2.43 114.58 115.64 1wi0 h GLU 91 Ca 0.28 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wi0 h GLU 91 Cb 1.15 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1wi0 h GLU 91 CO -0.00 0.97 0.00 1.96 -1.16 0.00 0.00 179.01 180.78 1wi0 h GLN 92 N 0.17 0.00 0.05 2.33 4.20 0.11 -1.53 115.11 120.44 1wi0 h GLN 92 Ca -0.05 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 1wi0 h GLN 92 Cb 1.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1wi0 h GLN 92 CO 0.13 0.00 -0.99 1.96 -0.67 0.00 0.00 178.83 179.27 1wi0 h GLN 93 N 0.00 0.10 0.00 1.46 4.20 -1.23 -2.19 115.11 117.46 1wi0 h GLN 93 Ca 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1wi0 h GLN 93 Cb 0.42 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wi0 h GLN 93 CO 0.00 1.08 -0.04 -0.39 -0.67 0.00 0.00 178.83 178.81 1wi0 h VAL 94 N -0.71 0.92 0.08 -0.54 -1.51 -1.29 -2.83 116.25 110.36 1wi0 h VAL 94 Ca -0.24 -0.14 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1wi0 h VAL 94 Cb 1.42 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1wi0 h VAL 94 CO -0.04 0.04 -0.04 0.78 -1.23 0.00 0.00 177.57 177.08 1wi0 h ASN 95 N 0.00 -0.09 0.00 4.19 2.35 -1.39 -3.50 115.58 117.15 1wi0 h ASN 95 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1wi0 h ASN 95 Cb 0.08 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wi0 h ASN 95 CO 0.01 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 1wi0 n GLY 96 N 1.43 2.85 2.97 2.83 0.00 -0.84 -5.10 105.19 109.33 1wi0 n GLY 96 Ca -0.03 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.16 1.61 10.64 -1.13 -4.80 117.38 121.54 1wi0 n GLN 97 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 1wi0 n GLN 97 Cb 0.00 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 4.96 3.60 0.38 2.61 1.43 -1.26 -4.30 118.68 126.10 1wi0 s LEU 98 Ca 0.51 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 55.27 1wi0 s LEU 98 Cb -0.42 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.16 1wi0 s LEU 98 CO 0.63 -1.14 1.04 -0.63 0.23 0.00 0.00 176.35 176.49 1wi0 s ILE 99 N -2.23 3.74 0.11 -0.59 -1.09 -1.26 -4.98 121.20 114.90 1wi0 s ILE 99 Ca 0.66 1.39 0.04 0.00 -2.23 0.00 0.00 60.65 60.51 1wi0 s ILE 99 Cb -0.18 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1wi0 s ILE 99 CO 0.32 0.06 0.07 -1.83 -1.23 0.00 0.00 174.94 172.33 1wi0 s GLU 100 N -2.34 2.78 0.25 2.79 -1.05 -1.26 -5.09 118.70 114.77 1wi0 s GLU 100 Ca 0.56 -0.80 -0.30 0.00 -0.15 0.00 0.00 54.97 54.28 1wi0 s GLU 100 Cb -0.23 -2.64 -0.09 0.00 -0.44 0.00 0.00 34.13 30.73 1wi0 s GLU 100 CO 0.29 0.53 1.09 -1.25 0.95 0.00 0.00 175.26 176.87 1wi0 s PRO 101 N -2.60 4.64 -0.84 -4.83 0.04 -1.26 -4.87 135.00 125.29 1wi0 s PRO 101 Ca 0.29 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 1wi0 s PRO 101 Cb -0.11 -3.22 -0.20 0.00 0.04 0.00 0.00 34.50 31.00 1wi0 s PRO 101 CO 0.21 0.19 2.36 -0.11 0.04 0.00 0.00 177.00 179.70 1wi0 n LEU 102 N 1.56 0.66 -4.56 -3.56 7.94 0.48 -4.64 117.00 114.88 1wi0 n LEU 102 Ca -0.00 -0.86 -0.27 0.00 -1.11 0.00 0.00 56.01 53.77 1wi0 n LEU 102 Cb 0.45 -1.21 -0.05 0.00 0.53 0.00 0.00 43.42 43.15 1wi0 n LEU 102 CO 0.54 -1.89 1.35 -1.58 -1.11 0.00 0.00 177.39 174.69 1wi0 s GLN 103 N 8.23 2.56 0.15 1.96 0.74 -1.26 -1.43 119.66 130.60 1wi0 s GLN 103 Ca 1.11 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 56.23 1wi0 s GLN 103 Cb -0.50 -5.07 0.02 0.00 1.10 0.00 0.00 33.01 28.57 1wi0 s GLN 103 CO 0.31 -3.39 0.19 0.44 -0.55 0.00 0.00 175.29 172.30 1wi0 n ILE 104 N 7.87 0.00 -3.66 -2.34 -5.35 -1.06 -2.82 119.36 112.00 1wi0 n ILE 104 Ca 0.40 -0.50 -0.07 0.00 -0.27 0.00 0.00 62.75 62.32 1wi0 n ILE 104 Cb 0.47 -0.83 -0.08 0.00 -1.74 0.00 0.00 39.64 37.46 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 0.01 -0.96 -0.70 4.28 0.08 0.38 -3.03 117.98 118.05 1wi0 s PHE 105 Ca 0.15 1.86 -0.27 0.00 0.12 0.00 0.00 56.93 58.79 1wi0 s PHE 105 Cb -0.01 0.52 0.00 0.00 -0.57 0.00 0.00 43.02 42.97 1wi0 s PHE 105 CO 0.09 -0.50 1.57 -1.25 -0.10 0.00 0.00 175.22 175.03 1wi0 s PRO 106 N 2.01 2.93 0.10 0.24 0.04 -1.26 -0.45 135.00 138.60 1wi0 s PRO 106 Ca -0.08 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 1wi0 s PRO 106 Cb -0.09 -4.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.05 1wi0 s PRO 106 CO -0.17 -2.46 1.36 0.00 0.04 0.00 0.00 177.00 175.78 1wi0 h ARG 107 N 12.31 -0.13 -2.82 4.56 3.08 -1.78 -3.48 114.38 126.12 1wi0 h ARG 107 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1wi0 h ARG 107 Cb 1.10 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1wi0 h ARG 107 CO 1.25 -0.08 -0.73 0.45 -1.07 0.00 0.00 179.97 179.79 1wi0 n SER 108 N -4.49 -6.45 0.00 7.04 2.88 -1.26 -5.05 113.62 106.29 1wi0 n SER 108 Ca -0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1wi0 n SER 108 Cb 0.20 -3.57 0.00 0.00 -0.75 0.00 0.00 64.21 60.09 1wi0 n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi0 n GLY 109 N -2.13 0.88 3.08 0.46 0.00 -1.25 -4.98 105.19 101.25 1wi0 n GLY 109 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1wi0 n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi0 n PRO 110 N -0.06 2.21 -4.50 1.61 -0.04 -1.26 -4.83 135.00 128.13 1wi0 n PRO 110 Ca 0.00 -2.37 -0.27 0.00 -0.04 0.00 0.00 63.50 60.83 1wi0 n PRO 110 Cb 0.00 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.14 1wi0 n PRO 110 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wi0 s SER 111 N 4.42 3.97 0.00 3.54 0.01 -1.26 -4.84 113.70 119.54 1wi0 s SER 111 Ca 0.54 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1wi0 s SER 111 Cb 0.11 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1wi0 s SER 111 CO 0.04 -0.40 0.00 -1.20 0.41 0.00 0.00 173.24 172.09 1wi0 n SER 112 N -0.98 0.00 0.00 2.44 7.64 -1.26 -5.10 113.62 116.36 1wi0 n SER 112 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wi0 n SER 112 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1wi0 n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64