#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 1.96 -3.88 1.61 2.88 -1.26 -4.98 113.62 109.95 1wi0 n SER 2 Ca 0.00 1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 58.37 1wi0 n SER 2 Cb 0.00 -1.41 -0.15 0.00 -0.75 0.00 0.00 64.21 61.90 1wi0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi0 s SER 3 N -0.53 4.00 0.00 -3.46 0.15 -1.26 -5.05 113.70 107.54 1wi0 s SER 3 Ca 0.59 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wi0 s SER 3 Cb -0.58 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1wi0 s SER 3 CO 0.59 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1wi0 n GLY 4 N 4.67 3.96 3.39 9.45 0.00 -1.26 -5.08 105.19 120.33 1wi0 n GLY 4 Ca -0.06 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 6.27 -0.21 1.61 0.01 -1.26 -5.01 113.70 115.11 1wi0 s SER 5 Ca 0.00 -1.50 -0.01 0.00 1.31 0.00 0.00 55.95 55.75 1wi0 s SER 5 Cb 0.00 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.92 1wi0 s SER 5 CO 0.00 -1.14 -0.11 -0.55 0.41 0.00 0.00 173.24 171.85 1wi0 s SER 6 N 3.55 3.85 -0.02 2.44 0.15 -1.26 -5.09 113.70 117.33 1wi0 s SER 6 Ca 0.16 -0.68 -0.29 0.00 0.70 0.00 0.00 55.95 55.85 1wi0 s SER 6 Cb -0.20 -1.61 0.10 0.00 -1.71 0.00 0.00 66.02 62.61 1wi0 s SER 6 CO 0.04 -0.05 0.88 -0.83 1.20 0.00 0.00 173.24 174.48 1wi0 s GLY 7 N 1.34 -0.45 0.67 9.45 0.00 -1.26 -5.14 107.32 111.94 1wi0 s GLY 7 Ca 0.03 1.13 -0.12 0.00 0.00 0.00 0.00 44.72 45.77 1wi0 s GLY 7 CO -0.08 0.45 1.06 2.56 0.00 0.00 0.00 173.10 177.09 1wi0 s PRO 8 N -2.80 3.03 -0.22 2.90 0.04 -1.26 -5.01 135.00 131.67 1wi0 s PRO 8 Ca 0.03 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 1wi0 s PRO 8 Cb -0.01 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.35 1wi0 s PRO 8 CO -0.07 -1.03 0.10 0.34 0.04 0.00 0.00 177.00 176.38 1wi0 n PHE 9 N -2.91 0.82 -3.59 0.56 7.35 -1.26 -5.06 117.46 113.37 1wi0 n PHE 9 Ca 0.08 0.34 -0.06 0.00 -0.76 0.00 0.00 57.45 57.05 1wi0 n PHE 9 Cb 0.53 -1.08 -0.03 0.00 0.35 0.00 0.00 39.48 39.25 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 -1.99 -0.44 -0.08 0.00 0.00 -1.26 -5.02 121.76 112.97 1wi0 s ALA 11 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1wi0 s ALA 11 Cb -0.01 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1wi0 s ALA 11 CO -0.05 -0.20 -0.07 -1.64 0.00 0.00 0.00 175.76 173.81 1wi0 s MET 12 N -1.09 1.31 -0.16 0.00 -1.94 -1.26 -5.09 119.30 111.07 1wi0 s MET 12 Ca -0.12 -0.21 -0.31 0.00 -1.71 0.00 0.00 55.69 53.33 1wi0 s MET 12 Cb -0.06 -1.31 -0.09 0.00 2.01 0.00 0.00 34.83 35.39 1wi0 s MET 12 CO 0.02 -0.16 2.08 -0.85 -0.01 0.00 0.00 175.02 176.10 1wi0 n GLU 13 N 4.50 2.04 0.02 2.03 0.28 -1.26 -4.44 120.64 123.81 1wi0 n GLU 13 Ca -0.17 0.66 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1wi0 n GLU 13 Cb 0.51 -2.90 0.00 0.00 1.43 0.00 0.00 31.44 30.47 1wi0 n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wi0 n ASN 14 N 9.24 -0.34 -4.97 -1.84 5.15 -1.26 -5.14 115.26 116.10 1wi0 n ASN 14 Ca 0.28 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 54.13 1wi0 n ASN 14 Cb 0.36 0.77 -0.01 0.00 -0.53 0.00 0.00 39.78 40.37 1wi0 n ASN 14 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1wi0 s GLN 15 N -2.00 3.25 0.29 1.20 0.74 -1.26 -5.12 119.66 116.76 1wi0 s GLN 15 Ca 0.00 -0.80 0.08 0.00 0.05 0.00 0.00 55.36 54.68 1wi0 s GLN 15 Cb 0.00 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1wi0 s GLN 15 CO 0.00 0.15 0.18 0.14 -0.55 0.00 0.00 175.29 175.21 1wi0 s VAL 16 N -2.17 3.81 0.13 1.34 -7.23 -1.26 -4.97 120.40 110.05 1wi0 s VAL 16 Ca 0.41 -1.52 -0.13 0.00 -1.81 0.00 0.00 61.98 58.93 1wi0 s VAL 16 Cb -0.09 -3.19 -0.07 0.00 0.56 0.00 0.00 36.38 33.59 1wi0 s VAL 16 CO 0.32 -0.28 0.52 -0.22 -0.31 0.00 0.00 175.10 175.13 1wi0 s LEU 17 N -3.86 4.34 -0.21 1.32 2.96 0.44 -4.95 118.68 118.72 1wi0 s LEU 17 Ca 0.36 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1wi0 s LEU 17 Cb -0.06 -3.20 0.05 0.00 0.50 0.00 0.00 46.19 43.48 1wi0 s LEU 17 CO 0.24 0.12 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.65 1wi0 s VAL 18 N -1.44 1.41 -0.29 1.68 1.01 -1.26 0.15 120.40 121.66 1wi0 s VAL 18 Ca 0.37 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1wi0 s VAL 18 Cb -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1wi0 s VAL 18 CO 0.19 -0.01 0.43 -0.63 0.00 0.00 0.00 175.10 175.08 1wi0 s ILE 19 N 1.47 5.12 -0.56 2.22 1.01 -1.11 -0.47 121.20 128.87 1wi0 s ILE 19 Ca -0.03 0.56 -0.18 0.00 0.00 0.00 0.00 60.65 61.00 1wi0 s ILE 19 Cb -0.18 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.61 1wi0 s ILE 19 CO -0.07 0.05 0.62 -0.60 0.00 0.00 0.00 174.94 174.95 1wi0 s ARG 20 N 2.18 3.03 -0.25 2.79 3.52 -0.96 0.29 118.95 129.56 1wi0 s ARG 20 Ca 0.17 -1.39 -0.29 0.00 -0.13 0.00 0.00 55.73 54.09 1wi0 s ARG 20 Cb -0.16 -4.25 -0.00 0.00 -1.56 0.00 0.00 34.95 28.98 1wi0 s ARG 20 CO 0.10 -1.43 1.24 0.42 -0.81 0.00 0.00 175.30 174.83 1wi0 s ILE 21 N 2.32 4.28 -0.58 4.11 1.09 0.23 -1.22 121.20 131.42 1wi0 s ILE 21 Ca 0.09 1.50 -0.27 0.00 -1.10 0.00 0.00 60.65 60.87 1wi0 s ILE 21 Cb -0.25 -4.14 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 1wi0 s ILE 21 CO 0.06 -0.32 1.82 -0.54 -0.10 0.00 0.00 174.94 175.85 1wi0 s LYS 22 N 3.78 2.75 0.29 2.79 -0.14 -0.01 -1.73 119.74 127.47 1wi0 s LYS 22 Ca 0.53 0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 55.53 1wi0 s LYS 22 Cb -0.18 -4.35 -0.09 0.00 -1.68 0.00 0.00 37.83 31.53 1wi0 s LYS 22 CO 0.18 -2.58 1.04 0.42 -0.76 0.00 0.00 175.35 173.64 1wi0 s ILE 23 N 8.61 3.73 -0.28 2.17 -1.09 -1.01 -4.49 121.20 128.83 1wi0 s ILE 23 Ca 0.67 1.67 -0.29 0.00 -2.23 0.00 0.00 60.65 60.47 1wi0 s ILE 23 Cb -0.13 -4.03 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1wi0 s ILE 23 CO 0.22 0.34 1.33 -2.16 -1.23 0.00 0.00 174.94 173.45 1wi0 s PRO 24 N -1.54 3.93 -0.75 2.79 0.04 -1.26 -3.90 135.00 134.31 1wi0 s PRO 24 Ca 0.45 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1wi0 s PRO 24 Cb -0.28 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1wi0 s PRO 24 CO 0.36 -1.10 0.62 0.09 0.04 0.00 0.00 177.00 177.00 1wi0 n ASN 25 N 7.63 -5.15 0.00 6.66 3.02 -1.26 -4.75 115.26 121.41 1wi0 n ASN 25 Ca 0.15 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1wi0 n ASN 25 Cb 0.46 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 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 -2.10 0.00 0.00 6.41 2.88 -1.26 -5.14 113.62 114.41 1wi0 n SER 26 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1wi0 n SER 26 Cb 0.68 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 -1.03 0.23 3.65 0.46 0.00 -1.25 -5.05 105.19 102.19 1wi0 n GLY 27 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.19 0.05 4.61 0.00 -1.26 -2.41 121.76 119.55 1wi0 s ALA 28 Ca 0.00 1.73 0.06 0.00 0.00 0.00 0.00 51.96 53.75 1wi0 s ALA 28 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1wi0 s ALA 28 CO 0.00 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 175.59 1wi0 s VAL 29 N -0.24 3.25 -0.22 0.00 1.01 -0.71 -4.90 120.40 118.58 1wi0 s VAL 29 Ca 0.08 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1wi0 s VAL 29 Cb -0.04 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1wi0 s VAL 29 CO -0.14 0.28 0.05 1.51 0.00 0.00 0.00 175.10 176.80 1wi0 s ASP 30 N -1.70 5.13 -0.53 3.32 -4.77 -1.26 0.74 116.67 117.60 1wi0 s ASP 30 Ca 0.18 -0.15 -0.18 0.00 -3.30 0.00 0.00 52.55 49.09 1wi0 s ASP 30 Cb -0.11 -1.90 0.08 0.00 -1.09 0.00 0.00 42.92 39.90 1wi0 s ASP 30 CO 0.09 0.04 0.60 0.86 0.70 0.00 0.00 175.17 177.45 1wi0 s TRP 31 N 1.19 3.08 -0.56 2.11 -0.00 0.15 -4.90 118.94 120.01 1wi0 s TRP 31 Ca 0.04 -0.79 -0.27 0.00 -0.00 0.00 0.00 56.10 55.08 1wi0 s TRP 31 Cb -0.14 -3.63 -0.09 0.00 -0.00 0.00 0.00 33.47 29.60 1wi0 s TRP 31 CO 0.03 -1.07 2.45 -2.37 -0.00 0.00 0.00 176.95 175.99 1wi0 n THR 32 N 5.49 -0.08 -3.76 5.86 5.66 -1.26 -2.77 114.28 123.43 1wi0 n THR 32 Ca -0.09 -0.70 -0.37 0.00 -3.05 0.00 0.00 64.05 59.85 1wi0 n THR 32 Cb 0.44 -2.49 -0.12 0.00 -1.55 0.00 0.00 70.33 66.61 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 11.89 4.58 -0.20 1.08 1.01 0.12 -4.94 120.40 133.95 1wi0 s VAL 33 Ca 1.03 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 63.03 1wi0 s VAL 33 Cb -0.31 -3.14 -0.22 0.00 0.00 0.00 0.00 36.38 32.70 1wi0 s VAL 33 CO 0.29 0.34 0.06 1.41 0.00 0.00 0.00 175.10 177.19 1wi0 n HIS 34 N 4.76 0.21 -1.43 5.22 8.25 -1.26 0.17 115.22 131.13 1wi0 n HIS 34 Ca -0.16 0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1wi0 n HIS 34 Cb 0.52 -1.03 -0.07 0.00 1.12 0.00 0.00 29.99 30.52 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 -3.01 6.34 -0.35 0.41 7.64 -1.26 -4.63 113.62 118.76 1wi0 n SER 35 Ca -0.35 -3.10 0.01 0.00 1.01 0.00 0.00 58.87 56.43 1wi0 n SER 35 Cb 1.08 -1.26 0.07 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.13 -1.79 0.11 0.23 0.00 -1.26 -0.68 105.19 102.94 1wi0 n GLY 36 Ca 0.48 1.02 -0.15 0.00 0.00 0.00 0.00 46.02 47.37 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 0.26 -2.35 1.61 0.13 -1.98 -3.30 132.00 126.37 1wi0 h PRO 37 Ca 0.36 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.88 1wi0 h PRO 37 Cb 0.59 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 1wi0 h PRO 37 CO -0.93 0.94 1.08 0.94 -0.23 0.00 0.00 178.00 179.80 1wi0 n GLN 38 N -4.44 2.57 -5.28 0.86 7.27 0.15 -4.83 117.38 113.68 1wi0 n GLN 38 Ca -0.09 -1.41 -0.31 0.00 0.07 0.00 0.00 57.00 55.26 1wi0 n GLN 38 Cb 0.53 -2.27 -0.16 0.00 2.41 0.00 0.00 30.24 30.75 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 0.06 2.05 0.31 1.69 2.96 -0.75 -4.77 118.68 120.24 1wi0 s LEU 39 Ca 0.68 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1wi0 s LEU 39 Cb 0.27 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 1wi0 s LEU 39 CO -0.02 0.31 0.03 -0.76 -1.32 0.00 0.00 176.35 174.59 1wi0 s LEU 40 N -0.56 3.11 0.13 -0.68 1.43 -1.26 -4.92 118.68 115.92 1wi0 s LEU 40 Ca 0.09 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1wi0 s LEU 40 Cb -0.10 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1wi0 s LEU 40 CO -0.01 -0.16 1.73 0.15 0.23 0.00 0.00 176.35 178.29 1wi0 h PHE 41 N 1.79 0.45 -0.19 0.29 3.57 -1.91 -2.89 116.94 118.05 1wi0 h PHE 41 Ca -0.43 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.10 1wi0 h PHE 41 Cb 1.25 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1wi0 h PHE 41 CO 0.68 0.36 -0.07 0.00 -2.23 0.00 0.00 178.31 177.06 1wi0 h ARG 42 N 0.41 -0.03 -0.87 1.11 2.47 -1.96 -1.80 114.38 113.71 1wi0 h ARG 42 Ca 0.12 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 59.02 1wi0 h ARG 42 Cb 0.06 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.22 1wi0 h ARG 42 CO -0.02 -0.02 -0.19 -0.44 0.56 0.00 0.00 179.97 179.86 1wi0 h ASP 43 N -0.03 -0.77 -0.21 7.04 3.32 -1.93 1.85 116.42 125.69 1wi0 h ASP 43 Ca 0.10 0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1wi0 h ASP 43 Cb 0.17 0.53 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 1wi0 h ASP 43 CO -0.21 -0.28 -0.08 0.58 -1.72 0.00 0.00 179.24 177.52 1wi0 h VAL 44 N 0.01 0.72 -0.65 -1.35 2.07 -1.21 0.38 116.25 116.21 1wi0 h VAL 44 Ca 0.42 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.90 1wi0 h VAL 44 Cb 0.67 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wi0 h VAL 44 CO -0.88 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 176.86 1wi0 h LEU 45 N -0.05 0.90 -1.82 2.57 -0.00 0.79 0.77 115.31 118.46 1wi0 h LEU 45 Ca 0.11 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1wi0 h LEU 45 Cb 0.21 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1wi0 h LEU 45 CO -0.24 0.83 -0.14 0.44 -0.00 0.00 0.00 178.44 179.32 1wi0 h ASP 46 N 0.95 0.00 0.00 -0.43 5.19 0.39 -0.89 116.42 121.63 1wi0 h ASP 46 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1wi0 h ASP 46 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1wi0 h ASP 46 CO -0.01 0.14 -0.26 0.58 -3.12 0.00 0.00 179.24 176.57 1wi0 h VAL 47 N 0.00 0.00 -0.98 -1.35 2.07 0.12 -3.37 116.25 112.74 1wi0 h VAL 47 Ca -0.00 -0.76 0.27 0.00 0.82 0.00 0.00 66.70 67.02 1wi0 h VAL 47 Cb 0.30 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.89 1wi0 h VAL 47 CO 0.02 0.00 0.02 -0.38 0.02 0.00 0.00 177.57 177.25 1wi0 n ILE 48 N -4.08 -0.41 -0.32 4.57 5.41 0.25 0.19 119.36 124.97 1wi0 n ILE 48 Ca -0.04 2.16 0.21 0.00 1.00 0.00 0.00 62.75 66.08 1wi0 n ILE 48 Cb 0.13 -3.15 0.42 0.00 -0.71 0.00 0.00 39.64 36.33 1wi0 n ILE 48 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1wi0 h GLY 49 N 0.00 1.80 1.56 7.39 0.00 -1.32 1.62 103.07 114.11 1wi0 h GLY 49 Ca 0.60 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.68 1wi0 h GLY 49 CO -0.92 -0.51 -0.39 1.46 0.00 0.00 0.00 176.54 176.19 1wi0 h GLN 50 N 0.21 0.49 -0.16 4.80 4.20 0.19 -1.61 115.11 123.22 1wi0 h GLN 50 Ca 0.68 -0.24 -0.22 0.00 0.06 0.00 0.00 58.65 58.93 1wi0 h GLN 50 Cb 1.54 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.33 1wi0 h GLN 50 CO -0.68 0.80 -0.76 0.28 -0.67 0.00 0.00 178.83 177.80 1wi0 h VAL 51 N 0.41 1.28 -2.90 -0.54 2.07 0.21 -3.36 116.25 113.42 1wi0 h VAL 51 Ca 0.04 -1.96 -0.61 0.00 0.82 0.00 0.00 66.70 64.99 1wi0 h VAL 51 Cb 0.86 1.95 -0.41 0.00 -1.52 0.00 0.00 31.29 32.17 1wi0 h VAL 51 CO 0.07 0.62 -0.63 0.18 0.02 0.00 0.00 177.57 177.83 1wi0 n LEU 52 N -3.94 2.59 0.24 2.57 4.32 0.37 -4.89 117.00 118.26 1wi0 n LEU 52 Ca -0.07 -5.12 0.13 0.00 -0.02 0.00 0.00 56.01 50.93 1wi0 n LEU 52 Cb 0.74 -0.56 0.40 0.00 -1.62 0.00 0.00 43.42 42.38 1wi0 n LEU 52 CO 0.53 1.80 0.86 1.55 -1.22 0.00 0.00 177.39 180.90 1wi0 h PRO 53 N 5.29 0.00 -0.14 3.23 0.13 -1.46 -2.82 132.00 136.23 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1wi0 h PRO 53 CO 0.68 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 1wi0 n GLU 54 N -3.15 1.66 -3.06 0.86 -0.58 -1.26 -4.59 120.64 110.53 1wi0 n GLU 54 Ca 0.02 -1.69 -0.17 0.00 -0.42 0.00 0.00 57.16 54.90 1wi0 n GLU 54 Cb 0.44 -1.34 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wi0 n ALA 55 N 0.94 1.24 -0.86 0.62 0.00 -1.08 -5.13 120.51 116.25 1wi0 n ALA 55 Ca 0.11 -2.83 -0.36 0.00 0.00 0.00 0.00 53.44 50.37 1wi0 n ALA 55 Cb 0.44 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 19.00 1wi0 n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wi0 n THR 56 N 0.85 0.00 -3.55 0.00 -1.04 -1.11 -4.71 114.28 104.72 1wi0 n THR 56 Ca 0.19 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 1wi0 n THR 56 Cb 0.62 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 1wi0 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wi0 s THR 57 N -2.10 0.00 -0.09 12.58 2.01 -1.26 -3.97 115.64 122.81 1wi0 s THR 57 Ca 0.45 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1wi0 s THR 57 Cb 0.01 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.44 1wi0 s THR 57 CO 0.66 0.00 -0.03 0.35 -0.69 0.00 0.00 174.62 174.91 1wi0 n THR 58 N 1.33 0.55 -4.57 -0.82 -2.24 -1.23 -4.82 114.28 102.48 1wi0 n THR 58 Ca -0.17 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1wi0 n THR 58 Cb 0.57 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 1wi0 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi0 s ALA 59 N -2.19 3.15 0.06 6.98 0.00 -1.26 -4.84 121.76 123.65 1wi0 s ALA 59 Ca -0.09 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 1wi0 s ALA 59 Cb 0.03 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.75 1wi0 s ALA 59 CO 0.27 -0.24 0.65 -0.59 0.00 0.00 0.00 175.76 175.84 1wi0 s PHE 60 N -3.12 -0.59 0.20 0.00 -0.71 -1.08 -1.65 117.98 111.03 1wi0 s PHE 60 Ca 0.22 0.70 0.06 0.00 -1.04 0.00 0.00 56.93 56.87 1wi0 s PHE 60 Cb 0.04 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1wi0 s PHE 60 CO 0.12 -0.73 0.12 -1.21 -1.34 0.00 0.00 175.22 172.18 1wi0 s GLU 61 N -2.52 2.77 -0.16 1.99 2.02 -0.55 0.14 118.70 122.39 1wi0 s GLU 61 Ca -0.05 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 53.86 1wi0 s GLU 61 Cb -0.01 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.75 1wi0 s GLU 61 CO -0.02 0.45 0.38 1.52 0.02 0.00 0.00 175.26 177.61 1wi0 s TYR 62 N -1.89 -0.55 0.11 1.61 -0.85 -0.88 -0.16 117.35 114.73 1wi0 s TYR 62 Ca 0.31 1.20 -0.31 0.00 -0.52 0.00 0.00 57.07 57.74 1wi0 s TYR 62 Cb -0.09 0.22 -0.11 0.00 0.38 0.00 0.00 41.96 42.37 1wi0 s TYR 62 CO 0.23 -0.33 1.85 0.39 -1.52 0.00 0.00 175.55 176.17 1wi0 n GLU 63 N 4.29 2.77 -1.36 -3.49 1.02 -1.24 -0.03 120.64 122.60 1wi0 n GLU 63 Ca -0.23 1.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.81 1wi0 n GLU 63 Cb 0.55 -2.91 0.06 0.00 -0.02 0.00 0.00 31.44 29.12 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 5.87 0.49 0.06 1.62 5.75 -1.26 -4.79 116.55 124.28 1wi0 n ASP 64 Ca 0.18 -1.45 0.17 0.00 -0.01 0.00 0.00 54.79 53.69 1wi0 n ASP 64 Cb 0.37 -0.32 0.68 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.00 -0.63 0.11 4.11 -1.98 0.81 114.58 117.00 1wi0 h GLU 65 Ca -0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1wi0 h GLU 65 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wi0 h GLU 65 CO 0.15 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.98 1wi0 n ASP 66 N -4.41 5.26 -4.03 3.06 8.00 -1.26 -4.94 116.55 118.23 1wi0 n ASP 66 Ca 0.07 -2.68 -0.30 0.00 0.71 0.00 0.00 54.79 52.59 1wi0 n ASP 66 Cb 0.49 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.91 -0.26 0.91 0.44 0.00 0.28 -4.78 105.19 102.70 1wi0 n GLY 67 Ca 0.27 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.16 3.03 -2.55 1.61 2.03 -1.26 -4.81 116.55 112.44 1wi0 n ASP 68 Ca -0.23 -1.89 -0.03 0.00 0.52 0.00 0.00 54.79 53.17 1wi0 n ASP 68 Cb 0.55 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 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 1.15 -4.14 -2.35 -0.67 5.12 -1.26 -4.91 116.66 109.59 1wi0 n ARG 69 Ca 0.15 3.10 -0.26 0.00 -1.93 0.00 0.00 57.85 58.91 1wi0 n ARG 69 Cb 0.51 -4.21 0.15 0.00 -1.16 0.00 0.00 32.46 27.75 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 -0.53 2.03 -0.12 0.55 -1.09 0.95 -4.78 121.20 118.22 1wi0 s ILE 70 Ca -0.16 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 1wi0 s ILE 70 Cb 0.01 -2.66 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1wi0 s ILE 70 CO 0.43 0.00 0.05 -0.89 -1.23 0.00 0.00 174.94 173.29 1wi0 s THR 71 N -3.47 0.18 -0.42 2.92 2.01 -1.26 -2.07 115.64 113.53 1wi0 s THR 71 Ca 0.71 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 1wi0 s THR 71 Cb -0.04 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.92 1wi0 s THR 71 CO 0.48 -0.01 0.51 -0.69 -0.69 0.00 0.00 174.62 174.23 1wi0 s VAL 72 N 2.04 4.99 -0.12 3.82 1.01 0.12 -4.85 120.40 127.40 1wi0 s VAL 72 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1wi0 s VAL 72 Cb -0.14 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 1wi0 s VAL 72 CO -0.06 -0.47 0.02 0.54 0.00 0.00 0.00 175.10 175.13 1wi0 n ARG 73 N 5.84 1.84 -4.45 2.72 1.74 -1.26 -2.64 116.66 120.44 1wi0 n ARG 73 Ca -0.05 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.79 1wi0 n ARG 73 Cb 0.48 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 1wi0 n ARG 73 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wi0 n SER 74 N -2.51 0.75 -0.25 0.55 7.64 -1.26 -4.92 113.62 113.62 1wi0 n SER 74 Ca -0.20 -3.26 -0.03 0.00 1.01 0.00 0.00 58.87 56.38 1wi0 n SER 74 Cb 0.87 1.24 0.14 0.00 -1.01 0.00 0.00 64.21 65.45 1wi0 n SER 74 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wi0 h ASP 75 N 1.80 0.99 -0.39 6.43 3.58 -1.97 -2.43 116.42 124.42 1wi0 h ASP 75 Ca -0.31 -0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.10 1wi0 h ASP 75 Cb 1.26 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 41.97 1wi0 h ASP 75 CO 0.48 0.83 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.91 1wi0 h GLU 76 N 1.08 -0.32 -0.98 0.28 5.08 -2.00 0.15 114.58 117.87 1wi0 h GLU 76 Ca 0.27 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1wi0 h GLU 76 Cb 0.10 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1wi0 h GLU 76 CO -0.04 -0.22 0.65 0.93 -1.00 0.00 0.00 179.01 179.33 1wi0 h GLU 77 N -0.34 1.25 0.21 2.33 5.08 -1.86 -2.61 114.58 118.65 1wi0 h GLU 77 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wi0 h GLU 77 Cb 0.59 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1wi0 h GLU 77 CO -0.57 0.83 -0.31 0.52 -1.00 0.00 0.00 179.01 178.48 1wi0 h MET 78 N 1.29 -0.53 -0.98 2.33 2.86 -0.33 0.29 114.93 119.86 1wi0 h MET 78 Ca 0.37 0.04 0.30 0.00 -2.06 0.00 0.00 59.70 58.35 1wi0 h MET 78 Cb -0.09 0.12 -0.15 0.00 0.06 0.00 0.00 31.60 31.55 1wi0 h MET 78 CO -0.10 -0.35 0.50 0.87 1.06 0.00 0.00 176.91 178.89 1wi0 h LYS 79 N -0.55 0.30 0.54 1.72 1.57 -0.74 0.38 116.57 119.79 1wi0 h LYS 79 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1wi0 h LYS 79 Cb 0.50 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1wi0 h LYS 79 CO -0.09 0.20 -0.26 0.00 -0.57 0.00 0.00 179.45 178.73 1wi0 h ALA 80 N 1.84 -0.73 -0.96 3.86 0.00 -0.91 1.32 119.26 123.68 1wi0 h ALA 80 Ca 0.70 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.63 1wi0 h ALA 80 Cb 1.55 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 1wi0 h ALA 80 CO -0.62 -0.87 0.55 1.98 0.00 0.00 0.00 179.25 180.29 1wi0 h MET 81 N -0.82 0.62 -0.03 0.00 1.85 0.33 0.17 114.93 117.06 1wi0 h MET 81 Ca -0.07 -0.04 -0.19 0.00 -0.61 0.00 0.00 59.70 58.79 1wi0 h MET 81 Cb 0.60 -0.14 0.01 0.00 0.43 0.00 0.00 31.60 32.50 1wi0 h MET 81 CO 0.12 0.41 -0.71 -0.07 -0.40 0.00 0.00 176.91 176.27 1wi0 h LEU 82 N 0.64 0.67 -2.05 3.39 3.38 -0.48 -1.57 115.31 119.29 1wi0 h LEU 82 Ca 0.57 -0.73 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1wi0 h LEU 82 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1wi0 h LEU 82 CO -0.42 1.30 0.34 -1.28 0.09 0.00 0.00 178.44 178.47 1wi0 h SER 83 N 0.10 0.00 0.00 -0.43 0.87 0.39 -1.54 113.55 112.93 1wi0 h SER 83 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wi0 h SER 83 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1wi0 h SER 83 CO 0.14 0.00 -0.13 0.22 -0.53 0.00 0.00 176.83 176.53 1wi0 h TYR 84 N 0.00 0.00 -0.84 2.24 3.20 -0.67 -2.55 116.97 118.35 1wi0 h TYR 84 Ca 0.20 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.28 1wi0 h TYR 84 Cb 0.88 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.99 1wi0 h TYR 84 CO 0.00 0.00 -0.04 0.98 -1.64 0.00 0.00 178.16 177.46 1wi0 n TYR 85 N -3.56 0.48 -0.04 -3.82 9.36 -0.60 0.91 117.16 119.90 1wi0 n TYR 85 Ca -0.02 1.01 -0.14 0.00 3.32 0.00 0.00 57.90 62.07 1wi0 n TYR 85 Cb 0.07 -1.10 -0.09 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 0.38 -0.60 2.98 0.05 -1.46 1.52 116.97 119.84 1wi0 h TYR 86 Ca 0.48 -0.15 0.17 0.00 0.05 0.00 0.00 58.73 59.28 1wi0 h TYR 86 Cb 0.95 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 1wi0 h TYR 86 CO -0.48 0.85 0.43 1.03 -1.05 0.00 0.00 178.16 178.94 1wi0 h SER 87 N -0.20 0.00 0.01 3.88 0.87 0.98 0.18 113.55 119.27 1wi0 h SER 87 Ca -0.01 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 1wi0 h SER 87 Cb 0.86 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 1wi0 h SER 87 CO 0.05 0.00 -2.09 1.07 -0.53 0.00 0.00 176.83 175.33 1wi0 n THR 88 N -4.35 1.55 -0.27 2.23 5.66 0.17 -4.04 114.28 115.24 1wi0 n THR 88 Ca 0.11 -0.31 0.08 0.00 -3.05 0.00 0.00 64.05 60.88 1wi0 n THR 88 Cb 0.67 -1.87 0.22 0.00 -1.55 0.00 0.00 70.33 67.80 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 -0.80 0.41 -0.02 1.08 2.07 0.26 1.21 116.25 120.45 1wi0 h VAL 89 Ca -0.56 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1wi0 h VAL 89 Cb 1.58 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1wi0 h VAL 89 CO -0.28 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.36 1wi0 h MET 90 N 0.22 0.02 0.00 1.57 -0.00 -0.85 0.40 114.93 116.29 1wi0 h MET 90 Ca 0.46 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 60.07 1wi0 h MET 90 Cb 0.85 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.44 1wi0 h MET 90 CO -0.59 0.01 -0.43 0.93 -0.00 0.00 0.00 176.91 176.83 1wi0 h GLU 91 N 0.02 0.00 0.00 -0.10 5.08 0.13 -2.05 114.58 117.66 1wi0 h GLU 91 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1wi0 h GLU 91 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wi0 h GLU 91 CO -0.00 0.43 -0.43 1.96 -1.00 0.00 0.00 179.01 179.97 1wi0 h GLN 92 N 0.00 0.00 0.13 2.33 4.20 0.70 -0.09 115.11 122.38 1wi0 h GLN 92 Ca -0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.42 1wi0 h GLN 92 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1wi0 h GLN 92 CO 0.06 0.43 -1.43 1.96 -0.67 0.00 0.00 178.83 179.18 1wi0 h GLN 93 N 0.00 0.27 0.00 1.46 4.20 -1.32 0.47 115.11 120.20 1wi0 h GLN 93 Ca -0.00 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.17 1wi0 h GLN 93 Cb 0.99 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1wi0 h GLN 93 CO 0.06 1.22 -0.36 -0.39 -0.67 0.00 0.00 178.83 178.69 1wi0 h VAL 94 N -0.24 1.19 0.17 -0.54 -1.51 -1.38 -3.10 116.25 110.85 1wi0 h VAL 94 Ca -0.30 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 63.89 1wi0 h VAL 94 Cb 1.81 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1wi0 h VAL 94 CO 0.08 0.36 -0.08 0.78 -1.23 0.00 0.00 177.57 177.48 1wi0 h ASN 95 N 0.00 -0.19 0.00 4.19 -0.26 -1.11 -3.49 115.58 114.72 1wi0 h ASN 95 Ca -0.00 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1wi0 h ASN 95 Cb 0.67 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1wi0 h ASN 95 CO 0.05 0.36 0.00 0.61 -1.06 0.00 0.00 177.43 177.39 1wi0 n GLY 96 N 0.66 0.64 3.18 2.83 0.00 -0.99 -5.09 105.19 106.44 1wi0 n GLY 96 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1wi0 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wi0 s GLN 97 N 0.00 0.88 0.89 1.61 -0.21 0.16 -5.03 119.66 117.96 1wi0 s GLN 97 Ca 0.00 -1.28 -0.11 0.00 0.02 0.00 0.00 55.36 53.99 1wi0 s GLN 97 Cb 0.00 -0.41 0.13 0.00 1.00 0.00 0.00 33.01 33.73 1wi0 s GLN 97 CO 0.00 0.04 1.10 -0.48 -2.12 0.00 0.00 175.29 173.82 1wi0 s LEU 98 N -2.81 2.45 0.08 2.90 0.05 -1.26 -4.03 118.68 116.06 1wi0 s LEU 98 Ca 0.10 1.73 -0.07 0.00 0.05 0.00 0.00 54.13 55.94 1wi0 s LEU 98 Cb 0.01 -4.16 -0.05 0.00 -2.05 0.00 0.00 46.19 39.93 1wi0 s LEU 98 CO -0.02 -2.73 0.36 -0.63 -0.55 0.00 0.00 176.35 172.78 1wi0 s ILE 99 N -2.82 5.17 0.10 1.48 -1.09 -1.26 -4.88 121.20 117.91 1wi0 s ILE 99 Ca 0.64 0.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 1wi0 s ILE 99 Cb -0.19 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1wi0 s ILE 99 CO 0.58 0.21 0.08 -1.61 -1.23 0.00 0.00 174.94 172.98 1wi0 s GLU 100 N -2.15 2.85 0.31 2.79 0.41 -1.26 -5.09 118.70 116.56 1wi0 s GLU 100 Ca 0.35 -0.75 -0.28 0.00 -0.41 0.00 0.00 54.97 53.88 1wi0 s GLU 100 Cb -0.13 -2.69 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 1wi0 s GLU 100 CO 0.20 0.54 1.07 -1.25 -0.49 0.00 0.00 175.26 175.34 1wi0 s PRO 101 N -2.55 4.53 -1.06 0.39 0.04 -1.26 -4.88 135.00 130.20 1wi0 s PRO 101 Ca 0.29 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 1wi0 s PRO 101 Cb -0.12 -3.02 -0.20 0.00 0.04 0.00 0.00 34.50 31.20 1wi0 s PRO 101 CO 0.22 0.14 2.13 -1.17 0.04 0.00 0.00 177.00 178.36 1wi0 s LEU 102 N -1.76 2.49 -0.35 -3.56 2.96 0.38 -4.69 118.68 114.15 1wi0 s LEU 102 Ca 0.48 -0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 53.19 1wi0 s LEU 102 Cb -0.29 -2.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.74 1wi0 s LEU 102 CO 0.37 -4.50 2.30 1.67 -1.32 0.00 0.00 176.35 174.87 1wi0 n GLN 103 N 8.27 1.47 -4.44 1.98 7.27 -1.26 -2.26 117.38 128.41 1wi0 n GLN 103 Ca 0.42 0.31 -0.25 0.00 0.07 0.00 0.00 57.00 57.55 1wi0 n GLN 103 Cb 0.46 -3.14 -0.11 0.00 2.41 0.00 0.00 30.24 29.87 1wi0 n GLN 103 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1wi0 s ILE 104 N 9.48 2.48 -0.10 1.69 -4.36 -0.36 -3.64 121.20 126.39 1wi0 s ILE 104 Ca 1.03 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1wi0 s ILE 104 Cb -0.39 -2.26 0.02 0.00 1.25 0.00 0.00 42.46 41.07 1wi0 s ILE 104 CO 0.35 -0.29 -0.14 -0.36 0.24 0.00 0.00 174.94 174.74 1wi0 s PHE 105 N -2.18 1.88 -0.17 1.37 0.40 0.78 -0.83 117.98 119.23 1wi0 s PHE 105 Ca 0.27 -0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 55.43 1wi0 s PHE 105 Cb -0.06 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1wi0 s PHE 105 CO 0.13 -0.46 1.28 -1.25 0.70 0.00 0.00 175.22 175.62 1wi0 s PRO 106 N 1.03 4.21 -0.55 0.24 0.04 -1.26 -1.48 135.00 137.22 1wi0 s PRO 106 Ca -0.06 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 1wi0 s PRO 106 Cb -0.15 -3.78 0.10 0.00 0.04 0.00 0.00 34.50 30.71 1wi0 s PRO 106 CO -0.02 -0.74 0.62 1.03 0.04 0.00 0.00 177.00 177.94 1wi0 s ARG 107 N 3.56 3.04 0.49 4.56 0.52 -0.66 -5.00 118.95 125.47 1wi0 s ARG 107 Ca 0.55 -1.30 -0.21 0.00 -0.52 0.00 0.00 55.73 54.25 1wi0 s ARG 107 Cb -0.22 -4.23 -0.07 0.00 0.52 0.00 0.00 34.95 30.96 1wi0 s ARG 107 CO 0.16 -1.39 1.11 -1.54 0.02 0.00 0.00 175.30 173.65 1wi0 s SER 108 N 3.34 6.10 0.07 0.23 1.04 -1.25 -3.49 113.70 119.73 1wi0 s SER 108 Ca 0.10 2.14 -0.27 0.00 0.48 0.00 0.00 55.95 58.40 1wi0 s SER 108 Cb -0.24 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.38 1wi0 s SER 108 CO 0.07 -0.96 0.90 -0.83 0.98 0.00 0.00 173.24 173.40 1wi0 s GLY 109 N -1.68 -0.37 -0.08 7.32 0.00 -1.26 -4.98 107.32 106.26 1wi0 s GLY 109 Ca 0.67 0.60 -0.22 0.00 0.00 0.00 0.00 44.72 45.77 1wi0 s GLY 109 CO 0.27 0.18 0.83 -0.56 0.00 0.00 0.00 173.10 173.83 1wi0 h PRO 110 N 2.00 -0.09 -1.61 2.90 0.13 -1.96 -3.46 132.00 129.91 1wi0 h PRO 110 Ca -0.24 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1wi0 h PRO 110 Cb 1.24 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 1wi0 h PRO 110 CO 0.29 0.48 0.48 -1.54 -0.23 0.00 0.00 178.00 177.48 1wi0 s SER 111 N -5.74 -0.43 -0.11 1.44 1.04 -1.26 -5.14 113.70 103.51 1wi0 s SER 111 Ca -0.14 0.64 -0.25 0.00 0.48 0.00 0.00 55.95 56.68 1wi0 s SER 111 Cb -0.00 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1wi0 s SER 111 CO 0.53 -0.27 0.78 -0.55 0.98 0.00 0.00 173.24 174.71 1wi0 s SER 112 N -0.50 7.00 0.00 7.02 0.15 -1.26 -5.19 113.70 120.92 1wi0 s SER 112 Ca -0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wi0 s SER 112 Cb -0.03 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wi0 s SER 112 CO -0.01 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.78