#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqb s SER 25 N 0.00 5.05 0.08 1.61 1.04 -1.26 -5.20 113.70 115.03 2oqb s SER 25 Ca 0.00 0.65 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 2oqb s SER 25 Cb 0.00 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.75 2oqb s SER 25 CO 0.00 -1.47 0.27 -1.38 0.98 0.00 0.00 173.24 171.64 2oqb s HIS 26 N -3.24 0.00 -0.25 5.02 -3.43 -1.26 -5.14 115.29 107.00 2oqb s HIS 26 Ca 0.58 -0.33 -0.02 0.00 -0.80 0.00 0.00 55.06 54.50 2oqb s HIS 26 Cb -0.11 0.06 0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2oqb s HIS 26 CO 0.46 -0.57 -0.06 1.41 -2.00 0.00 0.00 174.74 173.99 2oqb s MET 27 N -3.48 2.83 0.04 -0.38 1.75 -1.26 -5.11 119.30 113.69 2oqb s MET 27 Ca 0.02 -0.98 -0.10 0.00 -1.25 0.00 0.00 55.69 53.37 2oqb s MET 27 Cb 0.03 -2.99 -0.05 0.00 2.84 0.00 0.00 34.83 34.65 2oqb s MET 27 CO -0.09 -0.40 0.37 0.00 -0.65 0.00 0.00 175.02 174.24 2oqb s ALA 28 N 1.33 3.75 -0.27 4.11 0.00 -1.26 -5.08 121.76 124.33 2oqb s ALA 28 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 2oqb s ALA 28 Cb -0.17 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2oqb s ALA 28 CO -0.04 0.56 0.03 0.99 0.00 0.00 0.00 175.76 177.30 2oqb s THR 29 N -1.29 3.71 0.06 0.00 2.01 -1.26 -5.10 115.64 113.77 2oqb s THR 29 Ca 0.29 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.69 2oqb s THR 29 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2oqb s THR 29 CO 0.16 0.19 -0.13 0.68 -0.69 0.00 0.00 174.62 174.83 2oqb s VAL 30 N 1.48 3.17 -0.06 3.82 -7.23 -1.26 -4.61 120.40 115.71 2oqb s VAL 30 Ca 0.03 -1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 58.78 2oqb s VAL 30 Cb -0.16 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2oqb s VAL 30 CO 0.00 0.25 0.84 -0.44 -0.31 0.00 0.00 175.10 175.44 2oqb s SER 31 N -1.76 7.14 -0.15 4.85 0.01 -0.41 -4.86 113.70 118.52 2oqb s SER 31 Ca 0.18 1.38 -0.03 0.00 1.31 0.00 0.00 55.95 58.80 2oqb s SER 31 Cb -0.11 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2oqb s SER 31 CO 0.09 -0.22 -0.06 -0.69 0.41 0.00 0.00 173.24 172.77 2oqb s VAL 32 N 1.11 3.70 -0.47 3.43 1.01 -1.26 -0.98 120.40 126.93 2oqb s VAL 32 Ca 0.44 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2oqb s VAL 32 Cb -0.19 -2.60 0.13 0.00 0.00 0.00 0.00 36.38 33.72 2oqb s VAL 32 CO 0.21 0.51 0.23 -0.36 0.00 0.00 0.00 175.10 175.69 2oqb s PHE 33 N 0.30 2.86 0.66 5.22 0.08 0.45 -5.00 117.98 122.55 2oqb s PHE 33 Ca -0.05 -2.91 -0.16 0.00 0.12 0.00 0.00 56.93 53.94 2oqb s PHE 33 Cb -0.14 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2oqb s PHE 33 CO 0.04 -0.78 1.15 -2.14 -0.10 0.00 0.00 175.22 173.39 2oqb s PRO 34 N 0.06 2.68 -0.64 0.24 0.02 -1.26 -1.82 135.00 134.27 2oqb s PRO 34 Ca 0.16 1.55 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 2oqb s PRO 34 Cb -0.25 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2oqb s PRO 34 CO -0.01 -1.37 0.31 0.41 -0.33 0.00 0.00 177.00 176.00 2oqb n GLY 35 N -0.11 0.21 3.85 0.52 0.00 -0.84 -4.64 105.19 104.17 2oqb n GLY 35 Ca 0.12 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2oqb n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqb s ALA 36 N -2.87 3.25 -0.05 4.61 0.00 0.27 -3.99 121.76 122.98 2oqb s ALA 36 Ca 0.15 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2oqb s ALA 36 Cb -0.07 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2oqb s ALA 36 CO 0.19 0.15 -0.07 0.50 0.00 0.00 0.00 175.76 176.53 2oqb s ARG 37 N -3.34 2.68 -0.10 0.00 3.52 -0.62 -1.16 118.95 119.92 2oqb s ARG 37 Ca 0.56 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 2oqb s ARG 37 Cb -0.10 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.75 2oqb s ARG 37 CO 0.21 0.64 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.99 2oqb s LEU 38 N -0.98 1.91 -0.14 -0.88 2.96 -0.03 -0.64 118.68 120.89 2oqb s LEU 38 Ca 0.14 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2oqb s LEU 38 Cb -0.11 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2oqb s LEU 38 CO 0.03 0.08 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.71 2oqb s LEU 39 N 0.67 2.08 -0.20 -0.68 2.96 0.13 -1.05 118.68 122.60 2oqb s LEU 39 Ca -0.12 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 2oqb s LEU 39 Cb -0.16 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2oqb s LEU 39 CO 0.03 0.08 0.12 -0.89 -1.32 0.00 0.00 176.35 174.36 2oqb s THR 40 N 0.83 5.24 0.10 3.68 2.01 0.00 -0.14 115.64 127.35 2oqb s THR 40 Ca -0.07 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.09 2oqb s THR 40 Cb -0.15 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2oqb s THR 40 CO -0.02 0.43 -0.09 0.27 -0.69 0.00 0.00 174.62 174.52 2oqb s ILE 41 N 0.45 0.91 0.34 1.82 -4.36 0.78 -0.15 121.20 120.98 2oqb s ILE 41 Ca 0.07 -1.71 0.06 0.00 -0.26 0.00 0.00 60.65 58.81 2oqb s ILE 41 Cb -0.12 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2oqb s ILE 41 CO -0.01 -0.62 0.31 -0.83 0.24 0.00 0.00 174.94 174.04 2oqb s GLY 42 N -2.58 2.22 0.00 6.27 0.00 -0.58 -0.73 107.32 111.91 2oqb s GLY 42 Ca 0.07 -2.00 0.15 0.00 0.00 0.00 0.00 44.72 42.95 2oqb s GLY 42 CO -0.01 -1.40 1.09 2.09 0.00 0.00 0.00 173.10 174.87 2oqb n ASP 43 N -1.56 0.55 0.00 1.64 5.75 -1.26 -0.51 116.55 121.15 2oqb n ASP 43 Ca 0.07 -1.97 0.11 0.00 -0.01 0.00 0.00 54.79 52.98 2oqb n ASP 43 Cb 0.62 -0.23 0.51 0.00 -1.03 0.00 0.00 41.12 40.99 2oqb n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oqb n ALA 44 N 0.30 2.06 -0.29 2.12 0.00 -1.26 -2.56 120.51 120.88 2oqb n ALA 44 Ca 0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2oqb n ALA 44 Cb 0.96 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 19.37 2oqb n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2oqb n ASN 45 N -1.41 3.94 -0.07 0.00 6.94 -1.26 -4.92 115.26 118.48 2oqb n ASN 45 Ca 0.08 -2.09 -0.01 0.00 -0.02 0.00 0.00 54.58 52.54 2oqb n ASN 45 Cb 0.22 -0.49 -0.00 0.00 -2.36 0.00 0.00 39.78 37.15 2oqb n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2oqb n GLY 46 N 1.52 0.39 0.00 4.83 0.00 -1.06 -4.88 105.19 105.99 2oqb n GLY 46 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2oqb n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oqb n GLU 47 N -1.68 0.00 -5.26 1.61 -0.58 -1.26 -5.15 120.64 108.33 2oqb n GLU 47 Ca -0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 2oqb n GLU 47 Cb 0.19 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.90 2oqb n GLU 47 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2oqb s ILE 48 N 2.84 2.16 -0.11 -3.67 -1.09 -1.26 -4.45 121.20 115.63 2oqb s ILE 48 Ca 0.00 -1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 57.34 2oqb s ILE 48 Cb 0.00 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.09 2oqb s ILE 48 CO 0.00 0.58 -0.02 -1.10 -1.23 0.00 0.00 174.94 173.17 2oqb s GLN 49 N -0.56 3.19 -0.40 2.79 -0.21 0.33 -4.98 119.66 119.83 2oqb s GLN 49 Ca 0.08 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.86 2oqb s GLN 49 Cb -0.11 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 31.10 2oqb s GLN 49 CO -0.00 0.55 0.30 1.03 -2.12 0.00 0.00 175.29 175.05 2oqb s ARG 50 N -0.46 3.09 0.08 2.91 0.52 -1.26 -1.53 118.95 122.30 2oqb s ARG 50 Ca 0.08 -0.92 0.11 0.00 -0.52 0.00 0.00 55.73 54.47 2oqb s ARG 50 Cb -0.12 -3.94 -0.18 0.00 0.52 0.00 0.00 34.95 31.23 2oqb s ARG 50 CO 0.02 -0.70 1.05 0.45 0.02 0.00 0.00 175.30 176.14 2oqb h HIS 51 N 8.61 0.00 -1.83 -0.53 3.86 -0.90 -3.48 115.15 120.87 2oqb h HIS 51 Ca -0.28 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.95 2oqb h HIS 51 Cb 1.13 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.39 2oqb h HIS 51 CO 0.58 0.90 0.38 0.00 0.86 0.00 0.00 177.93 180.65 2oqb s ALA 52 N -2.72 -1.85 -0.19 2.45 0.00 -1.21 -4.99 121.76 113.25 2oqb s ALA 52 Ca -0.01 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 2oqb s ALA 52 Cb 0.09 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.98 2oqb s ALA 52 CO 0.81 -0.37 0.44 -2.00 0.00 0.00 0.00 175.76 174.64 2oqb s GLU 53 N -1.35 0.40 -0.05 0.00 2.12 -1.26 -0.82 118.70 117.74 2oqb s GLU 53 Ca -0.05 0.89 -0.02 0.00 0.36 0.00 0.00 54.97 56.14 2oqb s GLU 53 Cb -0.00 0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.50 2oqb s GLU 53 CO 0.04 -0.18 0.12 -0.65 -0.54 0.00 0.00 175.26 174.05 2oqb s GLN 54 N 1.71 0.06 0.39 4.30 -0.21 -0.22 -5.01 119.66 120.68 2oqb s GLN 54 Ca -0.08 0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.71 2oqb s GLN 54 Cb -0.09 -0.20 0.00 0.00 1.00 0.00 0.00 33.01 33.72 2oqb s GLN 54 CO -0.13 -0.17 0.53 -0.65 -2.12 0.00 0.00 175.29 172.74 2oqb s GLN 55 N 1.17 2.91 -1.19 2.91 -1.52 -1.26 -0.85 119.66 121.82 2oqb s GLN 55 Ca -0.09 -1.18 -0.03 0.00 -1.95 0.00 0.00 55.36 52.11 2oqb s GLN 55 Cb -0.12 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 2oqb s GLN 55 CO -0.05 -0.16 1.01 0.00 -0.25 0.00 0.00 175.29 175.84 2oqb n ALA 56 N -1.77 -1.67 -2.90 6.09 0.00 -1.10 -4.97 120.51 114.19 2oqb n ALA 56 Ca 0.05 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 2oqb n ALA 56 Cb 0.59 -3.37 -0.05 0.00 0.00 0.00 0.00 19.45 16.62 2oqb n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oqb s LEU 57 N -6.43 4.36 -0.40 0.00 1.43 -0.31 -4.50 118.68 112.83 2oqb s LEU 57 Ca 0.20 0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 2oqb s LEU 57 Cb -0.09 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.49 2oqb s LEU 57 CO 0.69 0.25 0.54 -0.60 0.23 0.00 0.00 176.35 177.46 2oqb s ARG 58 N -2.01 3.34 -0.07 1.70 3.52 -0.10 -0.56 118.95 124.77 2oqb s ARG 58 Ca 0.28 -0.41 -0.23 0.00 -0.13 0.00 0.00 55.73 55.24 2oqb s ARG 58 Cb -0.13 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 2oqb s ARG 58 CO 0.20 -0.84 0.67 -1.17 -0.81 0.00 0.00 175.30 173.35 2oqb s LEU 59 N 2.47 4.31 -0.08 -0.88 2.96 -0.76 -1.05 118.68 125.65 2oqb s LEU 59 Ca 0.18 1.13 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 2oqb s LEU 59 Cb -0.15 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 2oqb s LEU 59 CO 0.15 -0.10 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.25 2oqb s GLU 60 N 0.78 2.84 -0.14 1.98 2.02 0.23 -0.41 118.70 126.00 2oqb s GLU 60 Ca 0.36 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2oqb s GLU 60 Cb -0.17 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.79 2oqb s GLU 60 CO 0.17 0.30 -0.19 0.08 0.02 0.00 0.00 175.26 175.63 2oqb s VAL 61 N 0.06 1.87 -0.40 2.63 1.01 -0.15 -1.81 120.40 123.60 2oqb s VAL 61 Ca -0.10 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 2oqb s VAL 61 Cb -0.15 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2oqb s VAL 61 CO 0.06 0.51 0.26 -0.60 0.00 0.00 0.00 175.10 175.33 2oqb s ARG 62 N 1.00 2.82 -0.28 2.72 3.52 0.47 -1.29 118.95 127.91 2oqb s ARG 62 Ca -0.04 -1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 54.08 2oqb s ARG 62 Cb -0.15 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2oqb s ARG 62 CO -0.04 -0.81 1.26 0.00 -0.81 0.00 0.00 175.30 174.89 2oqb s ALA 63 N 1.56 3.44 0.52 6.12 0.00 -1.26 -1.01 121.76 131.14 2oqb s ALA 63 Ca 0.03 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2oqb s ALA 63 Cb -0.21 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.21 2oqb s ALA 63 CO 0.06 -1.61 0.20 0.41 0.00 0.00 0.00 175.76 174.82 2oqb n GLY 64 N 4.10 3.17 0.24 0.00 0.00 -0.46 -5.01 105.19 107.22 2oqb n GLY 64 Ca 0.14 -2.34 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 2oqb n GLY 64 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oqb h PRO 65 N 0.00 -0.23 0.00 1.61 0.11 -1.95 -3.31 132.00 128.23 2oqb h PRO 65 Ca -0.38 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2oqb h PRO 65 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2oqb h PRO 65 CO 0.62 -0.15 0.00 -0.25 -0.21 0.00 0.00 178.00 178.00 2oqb n ASP 66 N -5.34 1.39 -3.47 -2.05 8.00 -1.26 -4.72 116.55 109.11 2oqb n ASP 66 Ca -0.02 -1.65 -0.14 0.00 0.71 0.00 0.00 54.79 53.69 2oqb n ASP 66 Cb 0.25 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 2oqb n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oqb s ALA 67 N -0.65 -1.68 -0.21 2.24 0.00 -1.23 -4.28 121.76 115.95 2oqb s ALA 67 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 2oqb s ALA 67 Cb 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2oqb s ALA 67 CO 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 175.76 175.16 2oqb s ALA 68 N -2.62 2.98 -0.16 0.00 0.00 -0.10 -1.36 121.76 120.50 2oqb s ALA 68 Ca -0.04 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 2oqb s ALA 68 Cb -0.01 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2oqb s ALA 68 CO -0.03 -0.22 0.94 0.20 0.00 0.00 0.00 175.76 176.65 2oqb s GLY 69 N 1.13 2.09 -0.10 0.00 0.00 -0.18 -0.82 107.32 109.45 2oqb s GLY 69 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.94 2oqb s GLY 69 CO 0.01 1.87 -0.14 -0.42 0.00 0.00 0.00 173.10 174.42 2oqb s ILE 70 N 2.35 3.00 -0.10 0.90 -1.09 0.22 -0.40 121.20 126.07 2oqb s ILE 70 Ca 0.43 -0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 58.04 2oqb s ILE 70 Cb -0.17 -2.22 0.03 0.00 -1.58 0.00 0.00 42.46 38.52 2oqb s ILE 70 CO 0.13 0.55 0.28 0.00 -1.23 0.00 0.00 174.94 174.67 2oqb s ALA 71 N -0.06 -0.70 -0.05 9.38 0.00 -0.75 -0.87 121.76 128.70 2oqb s ALA 71 Ca -0.03 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.77 2oqb s ALA 71 Cb -0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2oqb s ALA 71 CO 0.04 -0.14 -0.23 -0.51 0.00 0.00 0.00 175.76 174.92 2oqb s LEU 72 N 0.11 2.03 -0.02 0.00 1.02 -0.33 -0.60 118.68 120.88 2oqb s LEU 72 Ca -0.00 -0.47 0.06 0.00 0.02 0.00 0.00 54.13 53.73 2oqb s LEU 72 Cb -0.02 -1.26 -0.01 0.00 0.02 0.00 0.00 46.19 44.91 2oqb s LEU 72 CO 0.00 0.22 -0.19 -0.31 0.02 0.00 0.00 176.35 176.09 2oqb s TYR 73 N -0.12 1.78 0.83 0.29 1.51 -0.21 -1.06 117.35 120.37 2oqb s TYR 73 Ca -0.03 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 2oqb s TYR 73 Cb -0.13 -1.16 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 2oqb s TYR 73 CO 0.03 -0.07 1.20 -1.54 -1.11 0.00 0.00 175.55 174.06 2oqb s SER 74 N -0.33 4.28 0.12 2.29 1.04 -0.18 -0.92 113.70 120.01 2oqb s SER 74 Ca 0.04 0.69 0.18 0.00 0.48 0.00 0.00 55.95 57.34 2oqb s SER 74 Cb -0.09 -1.11 0.76 0.00 0.10 0.00 0.00 66.02 65.68 2oqb s SER 74 CO 0.00 -2.04 1.56 1.41 0.98 0.00 0.00 173.24 175.15 2oqb n HIS 75 N -3.38 0.36 -0.67 5.02 8.25 -1.26 -1.43 115.22 122.10 2oqb n HIS 75 Ca 0.09 0.14 0.09 0.00 -0.26 0.00 0.00 57.72 57.78 2oqb n HIS 75 Cb 0.61 -0.73 0.37 0.00 1.12 0.00 0.00 29.99 31.36 2oqb n HIS 75 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2oqb n GLU 76 N -1.83 4.07 -1.10 -0.41 -0.58 -1.26 -4.93 120.64 114.59 2oqb n GLU 76 Ca 0.03 -2.93 -0.03 0.00 -0.42 0.00 0.00 57.16 53.80 2oqb n GLU 76 Cb 0.18 -2.01 -0.01 0.00 -0.57 0.00 0.00 31.44 29.03 2oqb n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2oqb n ASP 77 N 0.98 -4.00 -4.72 1.62 8.00 -0.52 -5.00 116.55 112.92 2oqb n ASP 77 Ca 0.26 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 2oqb n ASP 77 Cb 0.98 -1.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 2oqb n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oqb s VAL 78 N -1.93 3.78 -0.76 2.53 1.01 -1.26 -4.78 120.40 118.99 2oqb s VAL 78 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 2oqb s VAL 78 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 2oqb s VAL 78 CO 0.00 0.14 1.01 0.00 0.00 0.00 0.00 175.10 176.25 2oqb h VAL 80 N 5.93 1.49 -2.18 0.00 2.07 -1.47 -3.46 116.25 118.63 2oqb h VAL 80 Ca -0.11 -2.37 -0.05 0.00 0.82 0.00 0.00 66.70 64.98 2oqb h VAL 80 Cb 1.05 2.28 -0.22 0.00 -1.52 0.00 0.00 31.29 32.89 2oqb h VAL 80 CO 1.15 0.68 0.02 0.12 0.02 0.00 0.00 177.57 179.56 2oqb s PHE 81 N -3.43 -0.75 -0.09 1.57 5.36 -1.23 -5.01 117.98 114.39 2oqb s PHE 81 Ca -0.01 1.76 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 2oqb s PHE 81 Cb 0.12 0.30 0.03 0.00 -0.34 0.00 0.00 43.02 43.13 2oqb s PHE 81 CO 0.77 -0.37 0.24 0.21 -1.46 0.00 0.00 175.22 174.62 2oqb s LYS 82 N 0.59 0.27 0.32 10.12 2.20 -1.26 -1.19 119.74 130.79 2oqb s LYS 82 Ca -0.02 0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.78 2oqb s LYS 82 Cb -0.05 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2oqb s LYS 82 CO -0.03 -0.06 0.74 0.00 -0.36 0.00 0.00 175.35 175.64 2oqb s SER 84 N -2.98 3.52 -0.27 0.00 0.15 -1.26 -0.61 113.70 112.24 2oqb s SER 84 Ca 0.13 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 2oqb s SER 84 Cb -0.06 -1.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2oqb s SER 84 CO 0.09 0.15 0.06 -0.69 1.20 0.00 0.00 173.24 174.05 2oqb s VAL 85 N 0.42 4.04 0.33 4.45 1.01 0.00 -4.94 120.40 125.72 2oqb s VAL 85 Ca -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2oqb s VAL 85 Cb -0.17 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 2oqb s VAL 85 CO 0.06 0.22 0.03 -1.54 0.00 0.00 0.00 175.10 173.86 2oqb n SER 86 N 4.88 2.47 -0.19 3.32 3.41 -1.26 -0.92 113.62 125.33 2oqb n SER 86 Ca -0.16 -2.50 0.16 0.00 -0.26 0.00 0.00 58.87 56.11 2oqb n SER 86 Cb 0.50 0.37 0.49 0.00 -0.26 0.00 0.00 64.21 65.30 2oqb n SER 86 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2oqb h ARG 87 N 0.00 0.44 0.00 4.33 2.43 -1.79 -2.24 114.38 117.54 2oqb h ARG 87 Ca -0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2oqb h ARG 87 Cb 0.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2oqb h ARG 87 CO 0.44 0.29 -0.22 0.39 -1.51 0.00 0.00 179.97 179.36 2oqb n GLU 88 N -4.49 0.02 -2.16 0.20 4.71 -1.26 -4.90 120.64 112.76 2oqb n GLU 88 Ca 0.16 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.90 2oqb n GLU 88 Cb 0.55 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.44 2oqb n GLU 88 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2oqb s THR 89 N -3.01 3.07 -0.22 2.62 2.01 -0.85 -4.96 115.64 114.31 2oqb s THR 89 Ca 0.12 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 2oqb s THR 89 Cb 0.18 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 2oqb s THR 89 CO 0.61 0.13 1.39 -1.61 -0.69 0.00 0.00 174.62 174.44 2oqb s GLU 90 N -0.06 4.02 0.07 4.92 0.41 -1.26 -4.92 118.70 121.89 2oqb s GLU 90 Ca 0.58 1.56 -0.26 0.00 -0.41 0.00 0.00 54.97 56.44 2oqb s GLU 90 Cb -0.38 -3.88 0.09 0.00 -1.78 0.00 0.00 34.13 28.17 2oqb s GLU 90 CO 0.39 -0.99 0.76 0.00 -0.49 0.00 0.00 175.26 174.92 2oqb s SER 92 N -2.60 -0.61 0.38 0.00 0.15 -0.65 -4.99 113.70 105.38 2oqb s SER 92 Ca 0.03 0.87 -0.26 0.00 0.70 0.00 0.00 55.95 57.30 2oqb s SER 92 Cb -0.01 0.78 -0.12 0.00 -1.71 0.00 0.00 66.02 64.97 2oqb s SER 92 CO -0.11 -0.42 1.06 -1.14 1.20 0.00 0.00 173.24 173.84 2oqb n ARG 93 N 1.50 1.49 -4.03 5.44 0.63 -1.26 -1.04 116.66 119.39 2oqb n ARG 93 Ca -0.15 0.53 -0.26 0.00 -0.92 0.00 0.00 57.85 57.05 2oqb n ARG 93 Cb 0.56 -2.05 -0.17 0.00 0.45 0.00 0.00 32.46 31.25 2oqb n ARG 93 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2oqb s VAL 94 N -1.20 1.02 0.00 5.15 1.01 0.09 -4.83 120.40 121.64 2oqb s VAL 94 Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2oqb s VAL 94 Cb -0.59 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2oqb s VAL 94 CO 0.58 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.65 2oqb n GLY 95 N 4.72 1.33 0.15 4.51 0.00 -1.26 -2.13 105.19 112.50 2oqb n GLY 95 Ca -0.15 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.43 2oqb n GLY 95 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2oqb h ARG 96 N 0.00 0.00 0.00 1.61 3.08 -2.01 -3.41 114.38 113.64 2oqb h ARG 96 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2oqb h ARG 96 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 2oqb h ARG 96 CO 0.00 0.10 -0.51 0.00 -1.07 0.00 0.00 179.97 178.49 2oqb n GLN 97 N -2.90 0.00 -4.37 0.04 10.64 -1.24 -4.63 117.38 114.91 2oqb n GLN 97 Ca 0.00 -1.12 -0.19 0.00 -1.83 0.00 0.00 57.00 53.86 2oqb n GLN 97 Cb 0.60 0.06 -0.10 0.00 -0.86 0.00 0.00 30.24 29.94 2oqb n GLN 97 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2oqb s SER 98 N -1.12 2.24 -0.11 2.61 0.01 -0.91 -0.87 113.70 115.55 2oqb s SER 98 Ca 0.11 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.12 2oqb s SER 98 Cb 0.12 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.33 2oqb s SER 98 CO -0.05 -0.42 0.25 0.12 0.41 0.00 0.00 173.24 173.55 2oqb s PHE 99 N -3.23 -0.34 -0.09 2.43 5.36 -0.05 -0.73 117.98 121.33 2oqb s PHE 99 Ca 0.28 0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 2oqb s PHE 99 Cb 0.05 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.75 2oqb s PHE 99 CO 0.09 -0.24 -0.02 -1.50 -1.46 0.00 0.00 175.22 172.09 2oqb s ILE 100 N 1.29 4.09 -0.07 3.12 2.07 -0.20 -0.60 121.20 130.89 2oqb s ILE 100 Ca -0.09 -0.33 0.03 0.00 -1.41 0.00 0.00 60.65 58.85 2oqb s ILE 100 Cb -0.10 -2.71 0.01 0.00 0.13 0.00 0.00 42.46 39.78 2oqb s ILE 100 CO -0.09 0.59 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.74 2oqb s ILE 101 N -0.72 1.45 -0.20 2.00 1.01 -0.11 -1.64 121.20 123.00 2oqb s ILE 101 Ca 0.11 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2oqb s ILE 101 Cb -0.11 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.10 2oqb s ILE 101 CO 0.02 0.42 -0.17 -0.89 0.00 0.00 0.00 174.94 174.32 2oqb s THR 102 N 0.52 2.07 -0.06 2.92 2.01 -0.42 -0.85 115.64 121.82 2oqb s THR 102 Ca -0.15 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.74 2oqb s THR 102 Cb -0.16 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.42 2oqb s THR 102 CO 0.05 0.39 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 2oqb s LEU 103 N 1.25 1.18 0.00 4.42 1.43 -1.13 -4.19 118.68 121.64 2oqb s LEU 103 Ca 0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2oqb s LEU 103 Cb -0.15 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.51 2oqb s LEU 103 CO -0.11 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2oqb n GLY 104 N 4.42 2.63 0.05 -3.19 0.00 -1.26 -3.53 105.19 104.31 2oqb n GLY 104 Ca -0.18 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2oqb n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqb s ASN 106 N -4.03 4.95 0.11 0.00 0.01 -1.23 -4.74 114.94 110.01 2oqb s ASN 106 Ca 0.07 -0.47 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 2oqb s ASN 106 Cb 0.14 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.68 2oqb s ASN 106 CO 0.71 -0.01 -0.24 -0.44 -1.51 0.00 0.00 177.10 175.62 2oqb s SER 107 N -3.69 2.88 -0.06 -1.22 0.01 0.09 -2.85 113.70 108.85 2oqb s SER 107 Ca 0.32 -0.71 0.05 0.00 1.31 0.00 0.00 55.95 56.92 2oqb s SER 107 Cb -0.07 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2oqb s SER 107 CO 0.22 0.12 -0.23 -0.69 0.41 0.00 0.00 173.24 173.07 2oqb s VAL 108 N -1.11 1.88 -0.21 3.43 1.01 -0.03 -0.16 120.40 125.22 2oqb s VAL 108 Ca 0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2oqb s VAL 108 Cb -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2oqb s VAL 108 CO 0.05 0.53 -0.00 -0.22 0.00 0.00 0.00 175.10 175.45 2oqb s LEU 109 N 0.01 3.20 -0.23 3.92 2.96 0.80 -0.93 118.68 128.42 2oqb s LEU 109 Ca -0.07 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2oqb s LEU 109 Cb -0.14 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2oqb s LEU 109 CO 0.04 0.04 0.09 -0.63 -1.32 0.00 0.00 176.35 174.57 2oqb s ILE 110 N 1.15 4.66 -0.25 6.68 1.01 0.23 -0.69 121.20 133.99 2oqb s ILE 110 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 2oqb s ILE 110 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2oqb s ILE 110 CO 0.01 0.37 0.03 -1.58 0.00 0.00 0.00 174.94 173.77 2oqb s GLN 111 N 1.14 3.43 0.51 2.79 0.74 0.19 -0.87 119.66 127.59 2oqb s GLN 111 Ca 0.05 -0.61 -0.14 0.00 0.05 0.00 0.00 55.36 54.71 2oqb s GLN 111 Cb -0.14 -3.21 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 2oqb s GLN 111 CO 0.04 -0.24 0.94 -0.06 -0.55 0.00 0.00 175.29 175.41 2oqb s PHE 112 N 1.54 3.50 0.25 1.67 0.40 -0.05 -1.59 117.98 123.70 2oqb s PHE 112 Ca 0.05 1.31 -0.05 0.00 -0.60 0.00 0.00 56.93 57.64 2oqb s PHE 112 Cb -0.15 -2.68 0.28 0.00 0.51 0.00 0.00 43.02 40.98 2oqb s PHE 112 CO 0.01 -0.38 1.89 0.00 0.70 0.00 0.00 175.22 177.44 2oqb h ALA 113 N 0.69 1.23 -2.35 5.36 0.00 -1.82 -3.45 119.26 118.93 2oqb h ALA 113 Ca -0.46 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 2oqb h ALA 113 Cb 1.19 -0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 2oqb h ALA 113 CO 0.62 0.64 -0.70 0.95 0.00 0.00 0.00 179.25 180.76 2oqb s THR 114 N -5.86 0.57 0.36 0.00 -4.23 -1.26 -5.04 115.64 100.18 2oqb s THR 114 Ca -0.12 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 58.65 2oqb s THR 114 Cb 0.17 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.80 2oqb s THR 114 CO 0.82 -0.84 1.95 -0.65 -0.54 0.00 0.00 174.62 175.35 2oqb h PRO 115 N 3.20 0.73 -0.61 3.99 0.11 -1.86 -2.18 132.00 135.37 2oqb h PRO 115 Ca -0.35 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.75 2oqb h PRO 115 Cb 1.16 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2oqb h PRO 115 CO 0.62 0.48 0.36 1.25 -0.21 0.00 0.00 178.00 180.50 2oqb h HIS 116 N 0.75 0.67 -0.20 0.65 2.76 -1.96 0.12 115.15 117.93 2oqb h HIS 116 Ca 0.33 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2oqb h HIS 116 Cb 0.32 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2oqb h HIS 116 CO -0.00 0.36 0.12 -0.44 -1.30 0.00 0.00 177.93 176.67 2oqb h ASP 117 N 0.70 0.25 -0.42 3.26 3.32 -1.89 -1.32 116.42 120.32 2oqb h ASP 117 Ca 0.26 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2oqb h ASP 117 Cb 0.07 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2oqb h ASP 117 CO -0.13 0.24 0.21 0.15 -1.72 0.00 0.00 179.24 178.00 2oqb h PHE 118 N 0.24 0.39 -0.99 4.55 3.57 -0.89 -1.44 116.94 122.36 2oqb h PHE 118 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2oqb h PHE 118 Cb 0.04 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2oqb h PHE 118 CO -0.04 0.20 0.65 0.00 -2.23 0.00 0.00 178.31 176.89 2oqb h SER 120 N 1.35 -0.16 -0.42 0.00 0.87 -0.86 -1.96 113.55 112.37 2oqb h SER 120 Ca 0.36 -0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.90 2oqb h SER 120 Cb -0.15 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 61.77 2oqb h SER 120 CO -0.08 0.02 -0.11 0.15 -0.53 0.00 0.00 176.83 176.28 2oqb h PHE 121 N -0.33 -0.24 -0.95 2.24 3.57 -0.85 -2.67 116.94 117.71 2oqb h PHE 121 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2oqb h PHE 121 Cb 0.26 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2oqb h PHE 121 CO -0.02 -0.19 0.57 -0.92 -2.23 0.00 0.00 178.31 175.52 2oqb h TYR 122 N -0.01 1.25 -0.58 0.41 3.20 -0.57 -1.69 116.97 118.98 2oqb h TYR 122 Ca 0.20 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2oqb h TYR 122 Cb 0.32 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2oqb h TYR 122 CO -0.38 0.83 0.21 -0.91 -1.64 0.00 0.00 178.16 176.27 2oqb h ASN 123 N 1.31 0.79 -0.19 -2.11 2.35 -1.13 0.14 115.58 116.73 2oqb h ASN 123 Ca 0.34 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2oqb h ASN 123 Cb -0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2oqb h ASN 123 CO -0.06 0.72 0.06 0.40 -1.65 0.00 0.00 177.43 176.90 2oqb h ILE 124 N 0.84 1.18 -0.70 2.81 2.04 -1.01 -2.36 117.51 120.30 2oqb h ILE 124 Ca 0.20 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2oqb h ILE 124 Cb 0.20 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2oqb h ILE 124 CO -0.01 0.18 0.28 -0.07 0.00 0.00 0.00 178.15 178.53 2oqb h LEU 125 N 0.14 0.97 -0.93 1.44 4.07 -0.73 -1.59 115.31 118.67 2oqb h LEU 125 Ca 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2oqb h LEU 125 Cb 0.21 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 2oqb h LEU 125 CO -0.00 0.87 0.59 0.11 -1.08 0.00 0.00 178.44 178.93 2oqb h LYS 126 N 1.00 1.25 -0.08 1.13 1.57 -0.71 -0.91 116.57 119.83 2oqb h LYS 126 Ca 0.23 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2oqb h LYS 126 Cb 0.20 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2oqb h LYS 126 CO -0.02 0.85 0.04 1.15 -0.57 0.00 0.00 179.45 180.90 2oqb h THR 127 N 1.28 1.12 -0.14 -0.16 2.02 -1.04 -0.74 112.91 115.25 2oqb h THR 127 Ca 0.34 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2oqb h THR 127 Cb -0.10 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2oqb h THR 127 CO -0.07 0.10 -0.13 0.00 0.37 0.00 0.00 175.52 175.79 2oqb n ARG 129 N -4.28 1.59 -0.64 0.00 1.74 -0.37 -3.54 116.66 111.16 2oqb n ARG 129 Ca -0.01 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 2oqb n ARG 129 Cb 0.26 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2oqb n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oqb n GLY 130 N 1.20 0.67 0.43 -0.13 0.00 -0.99 -4.50 105.19 101.86 2oqb n GLY 130 Ca 0.18 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2oqb n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74