#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp s GLN 2 N 0.00 2.62 0.00 3.17 -2.07 -1.26 -5.04 119.66 117.07 2oqp s GLN 2 Ca 0.00 -1.45 0.00 0.00 -1.82 0.00 0.00 55.36 52.09 2oqp s GLN 2 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 33.01 29.35 2oqp s GLN 2 CO 0.00 -0.35 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 2oqp n GLY 3 N -1.80 -1.53 3.20 2.60 0.00 -1.26 -5.17 105.19 101.23 2oqp n GLY 3 Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.62 2oqp n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqp s GLN 4 N 0.08 1.17 -0.58 1.61 1.11 -1.26 -5.07 119.66 116.72 2oqp s GLN 4 Ca 0.00 -1.61 -0.26 0.00 0.01 0.00 0.00 55.36 53.50 2oqp s GLN 4 Cb 0.00 0.27 -0.10 0.00 -1.01 0.00 0.00 33.01 32.17 2oqp s GLN 4 CO 0.00 -0.38 2.45 -0.25 0.01 0.00 0.00 175.29 177.12 2oqp n ASP 5 N -0.25 2.00 0.08 5.90 9.92 -1.26 -4.73 116.55 128.22 2oqp n ASP 5 Ca 0.01 -0.54 0.12 0.00 -0.53 0.00 0.00 54.79 53.85 2oqp n ASP 5 Cb 0.66 -1.51 0.46 0.00 -0.64 0.00 0.00 41.12 40.08 2oqp n ASP 5 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2oqp n ARG 6 N 8.89 0.17 -0.09 -1.24 0.63 -1.26 -3.52 116.66 120.24 2oqp n ARG 6 Ca 0.42 0.24 -0.14 0.00 -0.92 0.00 0.00 57.85 57.45 2oqp n ARG 6 Cb 0.48 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.58 2oqp n ARG 6 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2oqp h HIS 7 N 0.00 0.00 -1.17 -0.14 2.76 -2.04 -3.36 115.15 111.19 2oqp h HIS 7 Ca 0.00 0.00 0.42 0.00 -2.20 0.00 0.00 60.37 58.59 2oqp h HIS 7 Cb 0.53 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.35 2oqp h HIS 7 CO 0.00 0.85 0.73 -0.12 -1.30 0.00 0.00 177.93 178.09 2oqp n MET 8 N -4.52 -0.04 -0.48 5.26 0.00 -1.23 0.14 117.12 116.25 2oqp n MET 8 Ca -0.21 1.16 0.41 0.00 -0.00 0.00 0.00 57.70 59.07 2oqp n MET 8 Cb 0.49 -2.24 0.69 0.00 0.00 0.00 0.00 33.22 32.16 2oqp n MET 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2oqp h ILE 9 N 0.00 0.00 -0.47 1.12 1.08 -1.72 1.56 117.51 119.08 2oqp h ILE 9 Ca 0.79 -0.00 0.09 0.00 -0.39 0.00 0.00 64.86 65.35 2oqp h ILE 9 Cb 2.45 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 36.10 2oqp h ILE 9 CO -0.49 0.00 -0.30 -0.09 -0.69 0.00 0.00 178.15 176.59 2oqp h ARG 10 N 0.00 -0.18 0.02 2.37 9.65 0.10 0.02 114.38 126.36 2oqp h ARG 10 Ca 0.89 0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 59.43 2oqp h ARG 10 Cb 2.89 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 31.46 2oqp h ARG 10 CO -0.45 -0.12 -2.12 0.00 2.80 0.00 0.00 179.97 180.07 2oqp n MET 11 N -5.42 0.68 -0.30 0.20 0.00 0.28 -4.21 117.12 108.35 2oqp n MET 11 Ca 0.03 0.16 0.10 0.00 0.00 0.00 0.00 57.70 57.99 2oqp n MET 11 Cb 0.34 -1.64 0.26 0.00 0.00 0.00 0.00 33.22 32.18 2oqp n MET 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2oqp h ARG 12 N 0.01 0.47 -0.23 3.17 2.43 0.20 0.62 114.38 121.04 2oqp h ARG 12 Ca -0.45 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 2oqp h ARG 12 Cb 2.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.51 2oqp h ARG 12 CO 0.03 0.31 -0.06 -0.56 -1.51 0.00 0.00 179.97 178.18 2oqp h GLN 13 N 0.48 0.36 0.51 0.20 3.07 -1.17 -0.85 115.11 117.70 2oqp h GLN 13 Ca 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 59.15 2oqp h GLN 13 Cb 0.87 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.38 2oqp h GLN 13 CO -0.46 0.44 -0.24 -0.07 0.09 0.00 0.00 178.83 178.59 2oqp h LEU 14 N 0.35 -0.58 -0.98 0.06 3.38 0.01 0.79 115.31 118.35 2oqp h LEU 14 Ca 0.07 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.30 2oqp h LEU 14 Cb 0.34 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2oqp h LEU 14 CO 0.02 -0.32 0.55 0.40 0.09 0.00 0.00 178.44 179.18 2oqp h ILE 15 N -0.87 0.54 -0.27 1.22 5.03 -1.10 0.41 117.51 122.48 2oqp h ILE 15 Ca -0.07 -0.19 -0.06 0.00 -0.12 0.00 0.00 64.86 64.41 2oqp h ILE 15 Cb 0.52 -0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 2oqp h ILE 15 CO 0.11 0.10 -0.08 -0.78 -0.68 0.00 0.00 178.15 176.82 2oqp h ASP 16 N 0.56 0.54 -0.89 1.72 3.58 -1.04 -1.53 116.42 119.36 2oqp h ASP 16 Ca 0.62 -0.38 0.17 0.00 0.42 0.00 0.00 57.03 57.86 2oqp h ASP 16 Cb 1.15 -0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.94 2oqp h ASP 16 CO -0.48 0.80 0.46 0.40 -2.88 0.00 0.00 179.24 177.54 2oqp h ILE 17 N 0.28 0.66 0.65 2.25 5.03 0.49 1.36 117.51 128.23 2oqp h ILE 17 Ca 0.07 -0.20 -0.03 0.00 -0.12 0.00 0.00 64.86 64.57 2oqp h ILE 17 Cb 0.57 0.01 0.01 0.00 -3.03 0.00 0.00 36.82 34.38 2oqp h ILE 17 CO 0.03 0.11 -0.31 0.58 -0.68 0.00 0.00 178.15 177.87 2oqp h VAL 18 N 0.60 0.08 -0.40 1.67 2.07 -0.82 -1.17 116.25 118.29 2oqp h VAL 18 Ca 0.51 -0.34 0.11 0.00 0.82 0.00 0.00 66.70 67.80 2oqp h VAL 18 Cb 0.81 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2oqp h VAL 18 CO -0.41 0.01 0.38 -0.78 0.02 0.00 0.00 177.57 176.79 2oqp h ASP 19 N -1.19 0.00 0.34 0.57 3.58 -0.42 0.62 116.42 119.93 2oqp h ASP 19 Ca -0.09 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2oqp h ASP 19 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2oqp h ASP 19 CO 0.15 0.00 -0.17 -0.61 -2.88 0.00 0.00 179.24 175.73 2oqp h GLN 20 N 0.00 -0.45 -0.03 0.28 4.15 0.21 -1.83 115.11 117.45 2oqp h GLN 20 Ca 0.19 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 2oqp h GLN 20 Cb 0.95 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2oqp h GLN 20 CO -0.00 -0.12 -0.32 1.25 -1.93 0.00 0.00 178.83 177.71 2oqp h LEU 21 N -0.89 0.05 -0.87 -2.39 7.12 0.08 -2.33 115.31 116.08 2oqp h LEU 21 Ca -0.05 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 2oqp h LEU 21 Cb 0.53 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 2oqp h LEU 21 CO 0.08 0.37 0.51 0.11 -0.13 0.00 0.00 178.44 179.37 2oqp h LYS 22 N 0.04 1.20 0.00 1.25 1.57 0.24 0.25 116.57 121.12 2oqp h LYS 22 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2oqp h LYS 22 Cb 0.59 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2oqp h LYS 22 CO 0.04 0.86 0.00 0.09 -0.57 0.00 0.00 179.45 179.87 2oqp n ASN 23 N -4.39 0.00 -0.13 0.86 4.13 -0.69 -1.62 115.26 113.42 2oqp n ASN 23 Ca 0.09 -0.32 0.07 0.00 1.68 0.00 0.00 54.58 56.10 2oqp n ASN 23 Cb 0.07 -0.11 0.10 0.00 -1.54 0.00 0.00 39.78 38.30 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2oqp n TYR 24 N -1.11 0.00 -0.35 3.10 4.01 0.75 -4.76 117.16 118.81 2oqp n TYR 24 Ca 0.11 -0.74 0.25 0.00 -0.16 0.00 0.00 57.90 57.36 2oqp n TYR 24 Cb 0.09 -0.12 0.53 0.00 -0.31 0.00 0.00 39.34 39.53 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2oqp h VAL 25 N 1.24 0.44 -0.22 -0.72 -1.51 -0.27 1.49 116.25 116.70 2oqp h VAL 25 Ca 0.00 -0.12 0.06 0.00 -1.23 0.00 0.00 66.70 65.42 2oqp h VAL 25 Cb 1.00 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2oqp h VAL 25 CO 0.00 0.06 0.56 -1.13 -1.23 0.00 0.00 177.57 175.83 2oqp h ASN 26 N 0.34 0.00 -1.59 4.19 -1.24 -1.85 0.52 115.58 115.95 2oqp h ASN 26 Ca 0.64 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 57.04 2oqp h ASN 26 Cb 1.69 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 40.34 2oqp h ASN 26 CO -0.34 0.00 -0.49 0.47 -1.29 0.00 0.00 177.43 175.78 2oqp n ASP 27 N -3.09 5.09 -4.18 1.15 8.00 0.51 -4.88 116.55 119.16 2oqp n ASP 27 Ca 0.03 -3.74 -0.30 0.00 0.71 0.00 0.00 54.79 51.50 2oqp n ASP 27 Cb 0.66 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 41.05 2oqp n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2oqp s LEU 28 N -3.61 1.99 -0.25 0.64 1.43 0.18 -1.85 118.68 117.20 2oqp s LEU 28 Ca 0.49 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 2oqp s LEU 28 Cb 0.40 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2oqp s LEU 28 CO -0.22 0.14 0.61 0.54 0.23 0.00 0.00 176.35 177.65 2oqp s VAL 29 N 0.35 5.00 -0.26 -1.59 0.11 -0.61 -4.17 120.40 119.23 2oqp s VAL 29 Ca -0.16 1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.69 2oqp s VAL 29 Cb -0.17 -3.91 -0.01 0.00 -1.53 0.00 0.00 36.38 30.76 2oqp s VAL 29 CO 0.07 0.04 1.33 -2.16 -3.33 0.00 0.00 175.10 171.05 2oqp s PRO 30 N 2.45 3.98 0.13 1.54 0.04 -1.26 -4.66 135.00 137.23 2oqp s PRO 30 Ca 0.25 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 2oqp s PRO 30 Cb -0.16 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 2oqp s PRO 30 CO 0.09 -1.03 0.25 -1.83 0.04 0.00 0.00 177.00 174.51 2oqp s GLU 31 N 4.05 1.03 -0.75 4.56 -1.05 -1.26 -5.05 118.70 120.23 2oqp s GLU 31 Ca 0.58 -1.08 -0.26 0.00 -0.15 0.00 0.00 54.97 54.06 2oqp s GLU 31 Cb -0.19 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 2oqp s GLU 31 CO 0.22 -0.36 2.17 -0.06 0.95 0.00 0.00 175.26 178.18 2oqp s PHE 32 N -3.92 1.42 -0.21 4.83 0.40 -1.26 -4.46 117.98 114.79 2oqp s PHE 32 Ca 0.12 1.29 -0.08 0.00 -0.60 0.00 0.00 56.93 57.67 2oqp s PHE 32 Cb 0.04 -3.76 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 2oqp s PHE 32 CO -0.05 -1.90 0.08 -1.17 0.70 0.00 0.00 175.22 172.88 2oqp s LEU 33 N 11.96 3.77 0.08 -0.37 2.96 -0.85 -4.89 118.68 131.34 2oqp s LEU 33 Ca 0.82 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.44 2oqp s LEU 33 Cb -0.11 -1.98 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 2oqp s LEU 33 CO 0.10 0.10 1.15 -2.16 -1.32 0.00 0.00 176.35 174.23 2oqp s PRO 34 N 0.81 4.48 0.01 0.98 0.04 -1.26 -1.27 135.00 138.78 2oqp s PRO 34 Ca 0.04 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2oqp s PRO 34 Cb -0.13 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2oqp s PRO 34 CO 0.02 -0.16 -0.08 0.00 0.04 0.00 0.00 177.00 176.83 2oqp s ALA 35 N 0.74 0.64 -0.23 8.56 0.00 -1.21 -4.62 121.76 125.64 2oqp s ALA 35 Ca 0.56 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2oqp s ALA 35 Cb -0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2oqp s ALA 35 CO 0.31 0.12 1.31 -1.25 0.00 0.00 0.00 175.76 176.25 2oqp s PRO 36 N -0.49 4.06 -0.40 0.00 0.04 -1.26 -4.44 135.00 132.50 2oqp s PRO 36 Ca 0.01 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 2oqp s PRO 36 Cb -0.04 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.67 2oqp s PRO 36 CO -0.00 -0.94 0.46 -2.00 0.04 0.00 0.00 177.00 174.56 2oqp s GLU 37 N 3.90 3.25 -0.23 4.56 2.56 -1.26 -4.64 118.70 126.84 2oqp s GLU 37 Ca 0.57 -0.59 -0.02 0.00 0.00 0.00 0.00 54.97 54.93 2oqp s GLU 37 Cb -0.20 -3.92 0.00 0.00 2.00 0.00 0.00 34.13 32.01 2oqp s GLU 37 CO 0.20 -0.80 0.04 -0.25 -0.56 0.00 0.00 175.26 173.89 2oqp n ASP 38 N 5.66 -7.57 -4.91 -1.70 8.00 -1.26 -4.98 116.55 109.78 2oqp n ASP 38 Ca -0.07 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.21 2oqp n ASP 38 Cb 0.48 -4.19 -0.04 0.00 -0.02 0.00 0.00 41.12 37.35 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oqp s VAL 39 N -1.50 5.20 1.06 2.53 -7.23 -1.26 -5.07 120.40 114.13 2oqp s VAL 39 Ca 0.02 -0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 2oqp s VAL 39 Cb -0.00 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.37 2oqp s VAL 39 CO 0.56 -0.06 0.32 1.21 -0.31 0.00 0.00 175.10 176.83 2oqp n GLU 40 N -0.25 -1.23 0.11 4.82 2.13 -1.26 -4.71 120.64 120.25 2oqp n GLU 40 Ca -0.04 -0.33 0.09 0.00 0.66 0.00 0.00 57.16 57.54 2oqp n GLU 40 Cb 0.53 -1.85 0.43 0.00 0.27 0.00 0.00 31.44 30.82 2oqp n GLU 40 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2oqp n THR 41 N -4.22 1.19 -2.46 6.31 -1.04 -1.26 -1.54 114.28 111.27 2oqp n THR 41 Ca 0.04 0.54 0.02 0.00 -2.04 0.00 0.00 64.05 62.61 2oqp n THR 41 Cb 0.58 -1.51 0.05 0.00 -1.82 0.00 0.00 70.33 67.63 2oqp n THR 41 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2oqp n ASN 42 N -2.04 1.40 -0.03 8.00 4.13 -1.26 -4.75 115.26 120.70 2oqp n ASN 42 Ca -0.00 -2.30 -0.04 0.00 1.68 0.00 0.00 54.58 53.92 2oqp n ASN 42 Cb 0.08 -0.37 -0.06 0.00 -1.54 0.00 0.00 39.78 37.89 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oqp n GLU 44 N -2.27 0.00 0.05 0.00 1.02 -1.21 0.17 120.64 118.41 2oqp n GLU 44 Ca -0.12 0.99 -0.06 0.00 -0.02 0.00 0.00 57.16 57.95 2oqp n GLU 44 Cb 0.73 -2.30 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2oqp h TRP 45 N 0.00 -0.21 -0.04 -0.32 4.06 -1.91 -2.71 115.95 114.83 2oqp h TRP 45 Ca 0.84 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.79 2oqp h TRP 45 Cb 3.43 0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 31.65 2oqp h TRP 45 CO 0.00 0.04 0.25 1.03 -3.56 0.00 0.00 178.44 176.20 2oqp h SER 46 N -1.02 0.00 1.04 -3.49 0.87 0.15 0.86 113.55 111.97 2oqp h SER 46 Ca -0.02 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 2oqp h SER 46 Cb 0.34 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2oqp h SER 46 CO 0.04 0.00 -0.88 0.00 -0.53 0.00 0.00 176.83 175.46 2oqp h ALA 47 N 1.54 0.46 -1.31 6.23 0.00 0.02 -3.25 119.26 122.95 2oqp h ALA 47 Ca 0.02 -0.80 0.39 0.00 0.00 0.00 0.00 54.91 54.52 2oqp h ALA 47 Cb 0.51 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2oqp h ALA 47 CO -0.00 1.10 0.88 0.35 0.00 0.00 0.00 179.25 181.58 2oqp h PHE 48 N 0.00 0.37 -0.69 0.00 3.04 0.11 1.02 116.94 120.79 2oqp h PHE 48 Ca -0.01 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2oqp h PHE 48 Cb 1.64 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 40.02 2oqp h PHE 48 CO 0.00 -0.06 0.41 0.77 -2.02 0.00 0.00 178.31 177.41 2oqp h SER 49 N 0.13 0.83 -0.38 0.41 0.02 -1.67 -1.18 113.55 111.72 2oqp h SER 49 Ca 0.72 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.68 2oqp h SER 49 Cb 2.40 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 64.66 2oqp h SER 49 CO -0.24 0.65 -0.06 0.00 -1.14 0.00 0.00 176.83 176.04 2oqp h PHE 51 N 0.03 0.00 0.11 0.00 0.04 -1.26 1.10 116.94 116.96 2oqp h PHE 51 Ca 0.18 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.63 2oqp h PHE 51 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2oqp h PHE 51 CO -0.31 0.00 -1.71 1.96 -0.60 0.00 0.00 178.31 177.65 2oqp h GLN 52 N 0.00 0.23 0.09 1.51 1.08 0.12 -3.34 115.11 114.81 2oqp h GLN 52 Ca -0.00 -0.39 -0.28 0.00 -1.45 0.00 0.00 58.65 56.54 2oqp h GLN 52 Cb 0.27 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2oqp h GLN 52 CO 0.00 1.06 -1.34 -0.22 -0.95 0.00 0.00 178.83 177.38 2oqp h LYS 53 N 0.06 0.20 -0.58 1.46 3.64 0.20 -3.32 116.57 118.23 2oqp h LYS 53 Ca -0.31 -0.34 0.11 0.00 -1.27 0.00 0.00 60.65 58.84 2oqp h LYS 53 Cb 2.03 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.86 2oqp h LYS 53 CO 0.13 1.10 -0.24 0.00 -2.27 0.00 0.00 179.45 178.17 2oqp h ALA 54 N 0.64 0.18 -3.66 5.00 0.00 0.11 -3.48 119.26 118.06 2oqp h ALA 54 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2oqp h ALA 54 Cb 1.96 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2oqp h ALA 54 CO 0.17 -0.55 -0.81 0.94 0.00 0.00 0.00 179.25 179.00 2oqp n GLN 55 N -5.43 -4.59 -3.66 0.00 7.27 -1.25 -4.86 117.38 104.86 2oqp n GLN 55 Ca 0.06 3.32 -0.37 0.00 0.07 0.00 0.00 57.00 60.07 2oqp n GLN 55 Cb 0.34 -3.56 -0.06 0.00 2.41 0.00 0.00 30.24 29.36 2oqp n GLN 55 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2oqp s LEU 56 N -1.10 4.39 -0.02 1.69 1.98 -1.26 -5.04 118.68 119.32 2oqp s LEU 56 Ca 0.00 0.67 0.03 0.00 -2.89 0.00 0.00 54.13 51.94 2oqp s LEU 56 Cb 0.00 -2.34 0.00 0.00 0.66 0.00 0.00 46.19 44.51 2oqp s LEU 56 CO 0.00 0.31 -0.09 -0.75 -1.89 0.00 0.00 176.35 173.93 2oqp s LYS 57 N -0.73 0.96 0.67 1.98 2.47 -1.26 -4.93 119.74 118.91 2oqp s LYS 57 Ca 0.19 -0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.17 2oqp s LYS 57 Cb -0.14 -0.90 -0.01 0.00 -1.46 0.00 0.00 37.83 35.33 2oqp s LYS 57 CO 0.08 0.13 1.05 -1.54 0.16 0.00 0.00 175.35 175.22 2oqp s SER 58 N 0.15 5.62 0.60 1.43 1.04 -1.26 -1.57 113.70 119.71 2oqp s SER 58 Ca -0.02 1.56 0.28 0.00 0.48 0.00 0.00 55.95 58.24 2oqp s SER 58 Cb -0.08 -2.48 1.14 0.00 0.10 0.00 0.00 66.02 64.70 2oqp s SER 58 CO 0.00 -1.28 1.53 0.00 0.98 0.00 0.00 173.24 174.47 2oqp h ALA 59 N -0.61 2.65 -1.55 5.32 0.00 -1.53 -3.34 119.26 120.21 2oqp h ALA 59 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2oqp h ALA 59 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2oqp h ALA 59 CO 0.58 -1.35 0.00 -1.71 0.00 0.00 0.00 179.25 176.77 2oqp n ASN 60 N -3.40 -1.78 0.00 0.00 2.85 -1.26 -4.77 115.26 106.89 2oqp n ASN 60 Ca 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 2oqp n ASN 60 Cb 1.20 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.77 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2oqp n THR 61 N -1.24 0.00 -2.29 -0.44 5.66 -1.26 -5.14 114.28 109.56 2oqp n THR 61 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2oqp n THR 61 Cb 0.45 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.22 2oqp n THR 61 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2oqp s GLY 62 N 0.00 2.64 0.64 1.09 0.00 -1.26 -5.00 107.32 105.43 2oqp s GLY 62 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 2oqp s GLY 62 CO 0.00 1.18 0.32 0.70 0.00 0.00 0.00 173.10 175.30 2oqp n ASN 63 N -1.17 -2.50 -2.40 1.64 4.13 -1.26 -3.18 115.26 110.52 2oqp n ASN 63 Ca 0.11 -0.32 -0.08 0.00 1.68 0.00 0.00 54.58 55.96 2oqp n ASN 63 Cb 0.51 -0.46 -0.01 0.00 -1.54 0.00 0.00 39.78 38.28 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqp n ASN 64 N -2.40 -2.94 -0.03 6.41 3.02 -1.26 -4.73 115.26 113.32 2oqp n ASN 64 Ca 0.05 0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 54.74 2oqp n ASN 64 Cb 0.22 -2.57 -0.09 0.00 -0.61 0.00 0.00 39.78 36.73 2oqp n ASN 64 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2oqp h GLU 65 N 0.00 0.30 -0.36 3.52 4.22 -1.92 -2.44 114.58 117.90 2oqp h GLU 65 Ca -0.20 -0.22 -0.16 0.00 0.08 0.00 0.00 59.36 58.86 2oqp h GLU 65 Cb 1.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2oqp h GLU 65 CO 0.24 0.85 -0.40 -0.09 -2.18 0.00 0.00 179.01 177.43 2oqp h ARG 66 N -0.20 0.88 0.00 1.92 9.65 -1.89 -2.00 114.38 122.74 2oqp h ARG 66 Ca -0.01 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2oqp h ARG 66 Cb 0.88 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2oqp h ARG 66 CO 0.05 1.11 0.00 1.51 2.80 0.00 0.00 179.97 185.45 2oqp n ILE 67 N -4.05 0.88 -0.07 1.20 0.13 -1.23 -2.30 119.36 113.92 2oqp n ILE 67 Ca -0.02 0.22 -0.22 0.00 -1.10 0.00 0.00 62.75 61.63 2oqp n ILE 67 Cb 0.55 -0.99 -0.12 0.00 -0.84 0.00 0.00 39.64 38.23 2oqp n ILE 67 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2oqp n ILE 68 N -1.41 1.63 0.30 9.51 -0.00 -0.81 -3.98 119.36 124.60 2oqp n ILE 68 Ca 0.05 -0.39 0.19 0.00 -0.00 0.00 0.00 62.75 62.60 2oqp n ILE 68 Cb 0.14 -1.83 1.01 0.00 -0.00 0.00 0.00 39.64 38.96 2oqp n ILE 68 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2oqp h ASN 69 N -0.45 0.00 0.21 4.38 -1.24 -0.96 0.31 115.58 117.83 2oqp h ASN 69 Ca -0.45 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.40 2oqp h ASN 69 Cb 1.71 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.75 2oqp h ASN 69 CO -0.10 0.00 -0.62 -0.37 -1.29 0.00 0.00 177.43 175.04 2oqp h VAL 70 N 0.00 1.36 0.00 2.57 -1.51 -1.64 -2.42 116.25 114.61 2oqp h VAL 70 Ca 0.02 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.53 2oqp h VAL 70 Cb 0.24 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2oqp h VAL 70 CO -0.00 0.59 0.00 -1.54 -1.23 0.00 0.00 177.57 175.39 2oqp n SER 71 N -3.89 0.16 0.11 4.19 3.41 0.11 -3.27 113.62 114.43 2oqp n SER 71 Ca -0.03 0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 2oqp n SER 71 Cb 0.64 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 2oqp n SER 71 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2oqp h ILE 72 N 0.00 0.00 -0.82 -1.33 1.08 -1.28 0.23 117.51 115.39 2oqp h ILE 72 Ca 0.00 -0.36 0.14 0.00 -0.39 0.00 0.00 64.86 64.25 2oqp h ILE 72 Cb 0.30 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.91 2oqp h ILE 72 CO 0.00 0.00 -0.34 0.11 -0.69 0.00 0.00 178.15 177.23 2oqp h LYS 73 N -0.69 -0.06 0.73 2.37 1.57 -1.61 0.73 116.57 119.62 2oqp h LYS 73 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2oqp h LYS 73 Cb 0.25 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.58 2oqp h LYS 73 CO 0.06 -0.04 -0.35 0.87 -0.57 0.00 0.00 179.45 179.41 2oqp h LYS 74 N -0.06 -0.95 -0.99 3.15 6.56 -1.64 -2.30 116.57 120.34 2oqp h LYS 74 Ca 0.32 0.06 0.33 0.00 -1.06 0.00 0.00 60.65 60.31 2oqp h LYS 74 Cb 0.59 0.22 -0.16 0.00 -0.57 0.00 0.00 32.23 32.31 2oqp h LYS 74 CO -0.86 -0.63 0.52 1.25 -2.06 0.00 0.00 179.45 177.68 2oqp h LEU 75 N -1.01 0.41 -5.00 2.94 6.46 0.17 -0.99 115.31 118.30 2oqp h LEU 75 Ca -0.10 0.21 -0.42 0.00 -0.12 0.00 0.00 57.88 57.45 2oqp h LEU 75 Cb 0.76 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2oqp h LEU 75 CO 0.17 -0.21 2.37 0.29 -0.62 0.00 0.00 178.44 180.44 2oqp n LYS 76 N -5.12 2.51 -3.82 1.25 5.02 0.23 -4.61 118.16 113.62 2oqp n LYS 76 Ca 0.32 -1.54 -0.36 0.00 -2.02 0.00 0.00 58.31 54.71 2oqp n LYS 76 Cb 1.02 -2.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2oqp s ARG 77 N 2.51 3.52 0.11 1.97 6.06 -0.38 -4.96 118.95 127.79 2oqp s ARG 77 Ca 0.53 -0.11 0.02 0.00 -2.50 0.00 0.00 55.73 53.67 2oqp s ARG 77 Cb 0.16 -3.14 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 2oqp s ARG 77 CO -0.03 0.71 0.22 0.15 -2.50 0.00 0.00 175.30 173.84 2oqp s LYS 78 N -1.45 3.31 0.98 5.12 -0.14 -1.26 -4.89 119.74 121.42 2oqp s LYS 78 Ca 0.22 -0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 2oqp s LYS 78 Cb -0.13 -2.93 0.18 0.00 -1.68 0.00 0.00 37.83 33.28 2oqp s LYS 78 CO 0.12 0.55 1.17 -1.25 -0.76 0.00 0.00 175.35 175.18 2oqp s PRO 79 N -2.88 0.53 0.43 -1.68 0.04 -1.26 -5.07 135.00 125.11 2oqp s PRO 79 Ca 0.34 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 2oqp s PRO 79 Cb -0.12 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2oqp s PRO 79 CO 0.27 -2.57 0.47 -0.35 0.04 0.00 0.00 177.00 174.87 2oqp n PRO 80 N -3.98 -1.16 -0.33 0.56 -0.04 -1.26 -4.81 135.00 123.99 2oqp n PRO 80 Ca 0.10 -0.74 0.20 0.00 -0.04 0.00 0.00 63.50 63.01 2oqp n PRO 80 Cb 0.59 -0.58 0.38 0.00 -0.04 0.00 0.00 33.50 33.85 2oqp n PRO 80 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2oqp h SER 81 N -1.17 -0.12 0.00 3.54 0.02 -2.05 -1.25 113.55 112.51 2oqp h SER 81 Ca -0.16 0.26 -0.35 0.00 -0.84 0.00 0.00 61.79 60.69 2oqp h SER 81 Cb 0.47 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2oqp h SER 81 CO 0.11 -0.33 2.11 1.07 -1.14 0.00 0.00 176.83 178.65 2oqp n THR 82 N -5.36 2.58 -2.08 -2.27 5.66 -1.26 -4.74 114.28 106.82 2oqp n THR 82 Ca 0.27 -1.49 -0.42 0.00 -3.05 0.00 0.00 64.05 59.36 2oqp n THR 82 Cb 0.90 -2.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 2oqp n THR 82 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2oqp n ASN 83 N 3.72 4.43 -4.29 1.09 5.15 -0.47 -4.91 115.26 119.97 2oqp n ASN 83 Ca 0.45 -2.94 -0.36 0.00 -0.60 0.00 0.00 54.58 51.14 2oqp n ASN 83 Cb 0.26 -1.61 0.06 0.00 -0.53 0.00 0.00 39.78 37.96 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2oqp n ALA 84 N 5.69 -3.07 -2.00 5.20 0.00 -1.26 -4.99 120.51 120.07 2oqp n ALA 84 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2oqp n ALA 84 Cb 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2oqp n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqp n GLY 85 N 2.25 1.53 1.28 0.00 0.00 -1.26 -4.63 105.19 104.37 2oqp n GLY 85 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2oqp n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqp n ARG 86 N 0.00 0.00 -4.25 1.61 3.00 -1.26 -4.86 116.66 110.90 2oqp n ARG 86 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.59 2oqp n ARG 86 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 32.46 32.29 2oqp n ARG 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2oqp s ARG 87 N -1.25 2.16 0.00 5.56 3.52 -1.26 -3.93 118.95 123.74 2oqp s ARG 87 Ca 0.00 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 53.74 2oqp s ARG 87 Cb 0.00 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.47 2oqp s ARG 87 CO 0.00 -0.05 0.00 0.94 -0.81 0.00 0.00 175.30 175.38 2oqp n GLN 88 N -1.13 0.00 -1.36 5.12 7.27 -1.26 -4.94 117.38 121.08 2oqp n GLN 88 Ca -0.02 0.00 -0.54 0.00 0.07 0.00 0.00 57.00 56.51 2oqp n GLN 88 Cb 0.64 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.20 2oqp n GLN 88 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2oqp n LYS 89 N 0.00 0.50 -0.32 3.69 3.00 -1.26 -4.76 118.16 119.00 2oqp n LYS 89 Ca 0.00 0.13 0.01 0.00 -0.00 0.00 0.00 58.31 58.45 2oqp n LYS 89 Cb 0.00 -1.97 0.15 0.00 0.00 0.00 0.00 35.03 33.21 2oqp n LYS 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2oqp h HIS 90 N 10.95 1.01 -0.13 5.64 -0.00 -1.99 -3.31 115.15 127.33 2oqp h HIS 90 Ca -0.17 0.03 -0.42 0.00 -0.00 0.00 0.00 60.37 59.81 2oqp h HIS 90 Cb 1.37 -0.33 0.05 0.00 -0.00 0.00 0.00 27.41 28.50 2oqp h HIS 90 CO 0.98 0.50 1.24 0.54 -0.00 0.00 0.00 177.93 181.19 2oqp n ARG 91 N -4.61 0.79 -1.32 5.26 3.00 -1.26 -4.69 116.66 113.82 2oqp n ARG 91 Ca 0.13 -1.72 0.15 0.00 -0.01 0.00 0.00 57.85 56.40 2oqp n ARG 91 Cb 0.19 -3.22 -0.08 0.00 0.00 0.00 0.00 32.46 29.35 2oqp n ARG 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2oqp n LEU 92 N 12.32 -0.98 -4.02 0.55 4.32 -1.25 -4.66 117.00 123.28 2oqp n LEU 92 Ca 0.46 2.25 -0.37 0.00 -0.02 0.00 0.00 56.01 58.32 2oqp n LEU 92 Cb 0.44 -2.78 -0.05 0.00 -1.62 0.00 0.00 43.42 39.42 2oqp n LEU 92 CO 0.90 -1.89 0.51 0.41 -1.22 0.00 0.00 177.39 176.10 2oqp n THR 93 N -4.06 3.53 -1.74 -5.08 -1.04 -1.26 -4.65 114.28 99.97 2oqp n THR 93 Ca -0.08 -5.31 -0.40 0.00 -2.04 0.00 0.00 64.05 56.21 2oqp n THR 93 Cb 0.62 -2.31 0.01 0.00 -1.82 0.00 0.00 70.33 66.84 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oqp s PRO 95 N -2.32 2.66 1.00 0.00 0.04 -1.26 -4.61 135.00 130.50 2oqp s PRO 95 Ca 0.61 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 2oqp s PRO 95 Cb -0.48 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 31.96 2oqp s PRO 95 CO 0.58 -1.27 -0.76 0.43 0.04 0.00 0.00 177.00 176.02 2oqp n SER 96 N -3.23 -5.84 -3.47 6.66 7.64 -1.26 -4.82 113.62 109.31 2oqp n SER 96 Ca 0.07 0.19 -0.40 0.00 1.01 0.00 0.00 58.87 59.74 2oqp n SER 96 Cb 0.54 -0.78 0.02 0.00 -1.01 0.00 0.00 64.21 62.99 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ASP 98 N -0.16 0.00 -2.72 0.00 8.00 -1.26 -4.71 116.55 115.70 2oqp n ASP 98 Ca 0.48 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.90 2oqp n ASP 98 Cb 0.26 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.46 2oqp n ASP 98 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2oqp n SER 99 N 0.00 -2.15 0.12 -2.24 3.41 -1.26 -5.00 113.62 106.49 2oqp n SER 99 Ca 0.00 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 2oqp n SER 99 Cb 0.00 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2oqp n TYR 100 N 0.19 -2.57 -1.57 7.33 4.01 -1.26 -5.00 117.16 118.30 2oqp n TYR 100 Ca 0.03 0.60 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 2oqp n TYR 100 Cb 0.73 1.43 0.00 0.00 -0.31 0.00 0.00 39.34 41.19 2oqp n TYR 100 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2oqp n GLU 101 N -3.14 -2.46 -0.09 -0.72 2.13 -1.26 -5.05 120.64 110.05 2oqp n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2oqp n GLU 101 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2oqp n LYS 102 N -0.21 3.30 0.00 5.31 4.76 -1.26 -3.32 118.16 126.74 2oqp n LYS 102 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2oqp n LYS 102 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2oqp n LYS 102 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2oqp n LYS 103 N -0.03 0.00 -1.53 1.97 5.02 -0.40 -4.72 118.16 118.47 2oqp n LYS 103 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2oqp n LYS 103 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.19 2oqp n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2oqp s PRO 104 N -2.00 0.38 -0.05 1.97 0.04 -1.26 -2.00 135.00 132.08 2oqp s PRO 104 Ca 0.00 0.00 -0.25 0.00 0.04 0.00 0.00 61.00 60.79 2oqp s PRO 104 Cb 0.00 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.54 2oqp s PRO 104 CO 0.00 -2.66 1.06 -1.00 0.04 0.00 0.00 177.00 174.44 2oqp h PRO 105 N -1.82 0.15 -0.73 0.56 0.13 -1.83 -1.00 132.00 127.47 2oqp h PRO 105 Ca -0.47 -0.15 0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2oqp h PRO 105 Cb 1.30 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 2oqp h PRO 105 CO 0.48 0.86 -0.48 -0.22 -0.23 0.00 0.00 178.00 178.41 2oqp h LYS 106 N -0.51 -0.15 0.61 0.86 3.11 -1.94 0.47 116.57 119.02 2oqp h LYS 106 Ca -0.02 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 2oqp h LYS 106 Cb 0.92 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2oqp h LYS 106 CO 0.04 -0.10 -0.29 0.93 -2.81 0.00 0.00 179.45 177.21 2oqp h GLU 107 N -0.16 -0.79 -1.73 1.90 5.08 -1.97 -0.29 114.58 116.63 2oqp h GLU 107 Ca 0.19 0.05 0.53 0.00 -1.00 0.00 0.00 59.36 59.13 2oqp h GLU 107 Cb 0.54 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2oqp h GLU 107 CO -0.79 -0.49 1.20 0.34 -1.00 0.00 0.00 179.01 178.28 2oqp n PHE 108 N -5.34 0.27 -0.01 4.33 7.35 -0.38 0.18 117.46 123.85 2oqp n PHE 108 Ca -0.11 0.27 -0.20 0.00 -0.76 0.00 0.00 57.45 56.65 2oqp n PHE 108 Cb 0.35 -0.74 -0.14 0.00 0.35 0.00 0.00 39.48 39.30 2oqp n PHE 108 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2oqp h LEU 109 N 0.00 0.28 -2.36 -2.13 -0.00 0.12 -1.20 115.31 110.01 2oqp h LEU 109 Ca 0.90 -0.86 0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2oqp h LEU 109 Cb 3.37 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 43.94 2oqp h LEU 109 CO -0.18 1.41 0.11 -0.08 -0.00 0.00 0.00 178.44 179.70 2oqp h GLU 110 N -0.56 0.00 0.03 1.13 4.81 0.37 -1.19 114.58 119.17 2oqp h GLU 110 Ca -0.20 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.77 2oqp h GLU 110 Cb 1.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.86 2oqp h GLU 110 CO 0.04 0.00 -1.42 0.00 -0.73 0.00 0.00 179.01 176.90 2oqp h ARG 111 N 0.00 0.06 -0.35 1.92 3.08 0.06 -3.33 114.38 115.82 2oqp h ARG 111 Ca 0.04 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.06 2oqp h ARG 111 Cb 0.26 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.26 2oqp h ARG 111 CO -0.00 1.05 -0.31 0.35 -1.07 0.00 0.00 179.97 179.99 2oqp h PHE 112 N -0.76 -0.86 -0.43 3.04 3.57 -0.66 0.57 116.94 121.42 2oqp h PHE 112 Ca -0.36 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.27 2oqp h PHE 112 Cb 1.47 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 40.55 2oqp h PHE 112 CO 0.09 -0.38 -0.29 -0.22 -2.23 0.00 0.00 178.31 175.28 2oqp h LYS 113 N -0.27 -0.20 0.16 1.11 3.64 -1.43 -1.04 116.57 118.53 2oqp h LYS 113 Ca 0.16 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2oqp h LYS 113 Cb 0.53 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 2oqp h LYS 113 CO -0.50 -0.14 -0.46 0.77 -2.27 0.00 0.00 179.45 176.86 2oqp h SER 114 N -0.21 -1.37 -0.90 4.20 0.02 -1.32 -1.14 113.55 112.82 2oqp h SER 114 Ca 0.19 0.14 0.18 0.00 -0.84 0.00 0.00 61.79 61.46 2oqp h SER 114 Cb 0.52 0.50 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 2oqp h SER 114 CO -0.55 -0.50 -0.23 -0.11 -1.14 0.00 0.00 176.83 174.30 2oqp n LEU 115 N -5.09 -0.34 0.12 5.07 -0.00 0.06 0.21 117.00 117.04 2oqp n LEU 115 Ca -0.08 1.56 -0.09 0.00 -0.00 0.00 0.00 56.01 57.40 2oqp n LEU 115 Cb 0.37 -0.47 -0.05 0.00 -0.00 0.00 0.00 43.42 43.27 2oqp n LEU 115 CO 0.15 -1.49 0.51 -0.07 -0.00 0.00 0.00 177.39 176.49 2oqp h LEU 116 N 0.00 -0.70 0.00 -1.96 3.38 -0.12 0.26 115.31 116.17 2oqp h LEU 116 Ca 0.43 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2oqp h LEU 116 Cb 0.66 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2oqp h LEU 116 CO -0.93 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 177.29 2oqp n GLN 117 N -3.86 0.03 -0.01 1.13 10.64 0.83 0.08 117.38 126.23 2oqp n GLN 117 Ca -0.05 0.31 -0.00 0.00 -1.83 0.00 0.00 57.00 55.43 2oqp n GLN 117 Cb 0.22 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2oqp n GLN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2oqp h LYS 118 N 0.00 0.00 0.00 2.61 1.63 0.51 -3.40 116.57 117.92 2oqp h LYS 118 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2oqp h LYS 118 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2oqp h LYS 118 CO 0.00 0.00 -0.61 -0.12 -3.45 0.00 0.00 179.45 175.27 2oqp n MET 119 N -2.43 0.39 -0.21 1.90 1.56 0.65 -4.18 117.12 114.79 2oqp n MET 119 Ca -0.00 0.31 -0.06 0.00 -0.27 0.00 0.00 57.70 57.68 2oqp n MET 119 Cb 0.01 -1.36 -0.05 0.00 2.15 0.00 0.00 33.22 33.97 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oqp n ILE 120 N -4.09 -0.35 -0.34 1.12 -0.00 0.03 0.88 119.36 116.61 2oqp n ILE 120 Ca -0.09 1.71 -0.03 0.00 -0.00 0.00 0.00 62.75 64.34 2oqp n ILE 120 Cb 0.32 -2.15 0.01 0.00 -0.00 0.00 0.00 39.64 37.81 2oqp n ILE 120 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2oqp n HIS 121 N -4.19 -0.06 -0.29 1.39 8.25 0.11 0.18 115.22 120.61 2oqp n HIS 121 Ca 0.01 1.07 0.17 0.00 -0.26 0.00 0.00 57.72 58.71 2oqp n HIS 121 Cb 0.13 -0.77 0.33 0.00 1.12 0.00 0.00 29.99 30.80 2oqp n HIS 121 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2oqp n GLN 122 N -5.24 -0.06 -0.05 -0.41 1.13 0.25 -0.57 117.38 112.43 2oqp n GLN 122 Ca 0.07 1.27 -0.01 0.00 -1.94 0.00 0.00 57.00 56.39 2oqp n GLN 122 Cb 0.32 -2.09 -0.01 0.00 0.11 0.00 0.00 30.24 28.56 2oqp n GLN 122 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2oqp n HIS 123 N -5.18 -0.06 0.00 1.08 -0.00 0.49 0.43 115.22 111.99 2oqp n HIS 123 Ca 0.24 0.16 -0.12 0.00 0.46 0.00 0.00 57.72 58.46 2oqp n HIS 123 Cb 0.80 -0.47 -0.06 0.00 -0.12 0.00 0.00 29.99 30.13 2oqp n HIS 123 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2oqp h LEU 124 N 0.00 -1.30 -0.92 0.27 7.12 -0.95 -1.90 115.31 117.63 2oqp h LEU 124 Ca 0.02 0.17 0.10 0.00 0.13 0.00 0.00 57.88 58.30 2oqp h LEU 124 Cb 0.05 0.53 -0.12 0.00 -0.53 0.00 0.00 40.66 40.59 2oqp h LEU 124 CO -0.12 -0.43 -0.50 -1.20 -0.13 0.00 0.00 178.44 176.06 2oqp n SER 125 N -5.44 -0.89 0.00 1.25 7.64 0.08 -4.68 113.62 111.59 2oqp n SER 125 Ca -0.04 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.47 2oqp n SER 125 Cb 0.36 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2oqp n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2oqp n SER 126 N -5.20 0.00 0.16 6.43 2.88 0.17 -3.20 113.62 114.86 2oqp n SER 126 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2oqp n SER 126 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2oqp n ARG 127 N 0.00 0.00 -4.26 -1.46 3.00 -1.26 -5.03 116.66 107.65 2oqp n ARG 127 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2oqp n ARG 127 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 2oqp n ARG 127 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2oqp s THR 128 N -2.00 1.55 -0.91 5.15 -1.32 -1.19 -5.06 115.64 111.85 2oqp s THR 128 Ca 0.00 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2oqp s THR 128 Cb 0.00 -1.44 0.32 0.00 -1.51 0.00 0.00 72.50 69.87 2oqp s THR 128 CO 0.00 -0.13 1.54 1.57 -2.21 0.00 0.00 174.62 175.39 2oqp n HIS 129 N 1.08 3.06 -2.78 9.09 -0.00 -1.26 -4.87 115.22 119.54 2oqp n HIS 129 Ca -0.20 -2.97 0.00 0.00 0.46 0.00 0.00 57.72 55.01 2oqp n HIS 129 Cb 0.54 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2oqp n GLY 130 N 0.07 1.95 3.15 1.57 0.00 -1.26 -5.13 105.19 105.54 2oqp n GLY 130 Ca 0.40 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 44.35 2oqp n GLY 130 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oqp s SER 131 N -1.00 -1.49 -0.01 1.61 0.15 -1.26 -5.03 113.70 106.67 2oqp s SER 131 Ca 0.00 0.55 -0.19 0.00 0.70 0.00 0.00 55.95 57.01 2oqp s SER 131 Cb 0.00 2.10 -0.30 0.00 -1.71 0.00 0.00 66.02 66.11 2oqp s SER 131 CO 0.00 -0.28 0.99 -0.33 1.20 0.00 0.00 173.24 174.82 2oqp h GLU 132 N 8.00 0.42 0.00 5.44 5.08 -2.03 -3.46 114.58 128.02 2oqp h GLU 132 Ca -0.13 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2oqp h GLU 132 Cb 1.17 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2oqp h GLU 132 CO 0.20 1.27 0.00 -3.47 -1.00 0.00 0.00 179.01 176.02 2oqp n ASP 133 N -4.03 0.00 0.00 1.42 2.03 -1.26 -5.32 116.55 109.39 2oqp n ASP 133 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2oqp n ASP 133 Cb 0.86 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 2oqp n ASP 133 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74