#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 1.69 -0.12 0.03 -0.21 -1.26 -5.10 119.66 114.68 2oqp s GLN 2 Ca 0.00 -0.13 -0.26 0.00 0.02 0.00 0.00 55.36 55.00 2oqp s GLN 2 Cb 0.00 -1.98 0.06 0.00 1.00 0.00 0.00 33.01 32.09 2oqp s GLN 2 CO 0.00 -1.71 0.62 0.20 -2.12 0.00 0.00 175.29 172.28 2oqp s GLY 3 N -4.65 -0.49 -0.47 3.09 0.00 -1.26 -5.10 107.32 98.44 2oqp s GLY 3 Ca 0.65 1.40 0.06 0.00 0.00 0.00 0.00 44.72 46.83 2oqp s GLY 3 CO 0.49 1.11 0.68 -0.18 0.00 0.00 0.00 173.10 175.20 2oqp n GLN 4 N 1.69 0.60 -4.21 2.90 7.27 -1.26 -5.13 117.38 119.24 2oqp n GLN 4 Ca -0.17 -2.33 -0.17 0.00 0.07 0.00 0.00 57.00 54.40 2oqp n GLN 4 Cb 0.56 -1.46 -0.11 0.00 2.41 0.00 0.00 30.24 31.65 2oqp n GLN 4 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2oqp s ASP 5 N -0.52 1.76 0.10 1.69 -1.08 -1.26 -5.04 116.67 112.33 2oqp s ASP 5 Ca 0.32 -0.79 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 2oqp s ASP 5 Cb 0.12 -0.04 -0.09 0.00 -1.46 0.00 0.00 42.92 41.44 2oqp s ASP 5 CO -0.15 -0.18 0.90 0.03 0.52 0.00 0.00 175.17 176.28 2oqp h ARG 6 N 3.61 0.00 0.18 4.34 3.08 -2.00 -3.26 114.38 120.33 2oqp h ARG 6 Ca -0.39 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.34 2oqp h ARG 6 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.26 2oqp h ARG 6 CO 0.50 0.22 -1.51 0.45 -1.07 0.00 0.00 179.97 178.56 2oqp h HIS 7 N 0.00 0.71 -0.83 3.04 3.86 -1.98 -2.61 115.15 117.34 2oqp h HIS 7 Ca -0.12 -0.52 -0.01 0.00 -1.16 0.00 0.00 60.37 58.57 2oqp h HIS 7 Cb 1.43 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.83 2oqp h HIS 7 CO 0.00 1.49 0.49 0.52 0.86 0.00 0.00 177.93 181.30 2oqp h MET 8 N 0.11 1.13 0.00 2.45 2.86 -1.99 -0.78 114.93 118.70 2oqp h MET 8 Ca -0.25 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2oqp h MET 8 Cb 2.08 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.51 2oqp h MET 8 CO 0.21 0.80 0.00 -0.84 1.06 0.00 0.00 176.91 178.14 2oqp h ILE 9 N 1.14 0.00 -0.04 -1.22 -0.00 -1.66 0.33 117.51 116.07 2oqp h ILE 9 Ca 0.30 -0.78 -0.16 0.00 -0.00 0.00 0.00 64.86 64.22 2oqp h ILE 9 Cb -0.03 1.77 -0.01 0.00 -0.00 0.00 0.00 36.82 38.54 2oqp h ILE 9 CO -0.05 0.00 -0.69 -0.09 -0.00 0.00 0.00 178.15 177.31 2oqp h ARG 10 N 0.00 0.18 0.01 0.16 9.65 -0.77 -2.22 114.38 121.38 2oqp h ARG 10 Ca 0.00 -0.14 -0.35 0.00 -1.10 0.00 0.00 59.98 58.39 2oqp h ARG 10 Cb 0.86 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.41 2oqp h ARG 10 CO 0.00 0.80 -2.17 0.00 2.80 0.00 0.00 179.97 181.40 2oqp n MET 11 N -3.79 0.67 0.24 0.20 0.00 -0.64 -4.06 117.12 109.75 2oqp n MET 11 Ca -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 57.70 57.71 2oqp n MET 11 Cb 0.68 -1.62 -0.05 0.00 0.00 0.00 0.00 33.22 32.23 2oqp n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2oqp h ARG 12 N 0.01 -0.60 -1.26 3.17 3.08 -0.98 -1.52 114.38 116.27 2oqp h ARG 12 Ca -0.47 0.04 0.38 0.00 0.07 0.00 0.00 59.98 60.00 2oqp h ARG 12 Cb 2.11 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 32.20 2oqp h ARG 12 CO 0.03 -0.40 0.84 1.96 -1.07 0.00 0.00 179.97 181.33 2oqp h GLN 13 N -0.79 0.16 0.02 0.04 7.50 -1.63 0.45 115.11 120.85 2oqp h GLN 13 Ca -0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.08 2oqp h GLN 13 Cb 0.48 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2oqp h GLN 13 CO 0.11 0.10 -0.01 -0.07 -1.50 0.00 0.00 178.83 177.46 2oqp h LEU 14 N 0.16 -0.03 -0.98 1.46 3.38 -1.67 1.44 115.31 119.07 2oqp h LEU 14 Ca 0.71 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.97 2oqp h LEU 14 Cb 2.28 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.90 2oqp h LEU 14 CO -0.28 -0.01 0.53 0.40 0.09 0.00 0.00 178.44 179.17 2oqp h ILE 15 N -0.04 0.37 -0.08 1.22 5.03 -0.15 0.57 117.51 124.44 2oqp h ILE 15 Ca -0.00 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 2oqp h ILE 15 Cb 0.02 -0.05 -0.00 0.00 -3.03 0.00 0.00 36.82 33.77 2oqp h ILE 15 CO 0.00 0.07 -0.03 -0.78 -0.68 0.00 0.00 178.15 176.73 2oqp h ASP 16 N 0.38 0.16 -0.73 1.72 3.58 -0.12 -1.60 116.42 119.82 2oqp h ASP 16 Ca 0.68 -0.40 0.14 0.00 0.42 0.00 0.00 57.03 57.87 2oqp h ASP 16 Cb 1.46 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.37 2oqp h ASP 16 CO -0.57 0.53 0.27 0.40 -2.88 0.00 0.00 179.24 176.99 2oqp h ILE 17 N -0.20 0.65 0.65 2.25 2.04 0.70 0.50 117.51 124.09 2oqp h ILE 17 Ca 0.02 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2oqp h ILE 17 Cb 0.46 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2oqp h ILE 17 CO 0.01 0.07 -0.31 0.58 0.00 0.00 0.00 178.15 178.50 2oqp h VAL 18 N 0.41 0.00 -0.31 1.67 2.07 -0.39 0.87 116.25 120.56 2oqp h VAL 18 Ca 0.40 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 68.00 2oqp h VAL 18 Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2oqp h VAL 18 CO -0.41 0.00 0.55 -0.78 0.02 0.00 0.00 177.57 176.95 2oqp h ASP 19 N -0.88 0.00 0.03 0.57 1.82 -0.69 0.34 116.42 117.60 2oqp h ASP 19 Ca -0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2oqp h ASP 19 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2oqp h ASP 19 CO 0.15 0.00 -0.01 -0.61 -1.61 0.00 0.00 179.24 177.15 2oqp h GLN 20 N 0.00 -0.03 -0.32 0.28 5.75 0.97 -2.95 115.11 118.81 2oqp h GLN 20 Ca 0.15 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2oqp h GLN 20 Cb 1.25 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 2oqp h GLN 20 CO -0.00 0.64 0.16 1.25 -2.65 0.00 0.00 178.83 178.23 2oqp h LEU 21 N -0.76 0.41 -0.50 -2.39 7.12 0.19 -2.93 115.31 116.45 2oqp h LEU 21 Ca -0.00 -0.11 0.07 0.00 0.13 0.00 0.00 57.88 57.96 2oqp h LEU 21 Cb 0.69 -0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.62 2oqp h LEU 21 CO 0.01 0.41 -0.47 0.11 -0.13 0.00 0.00 178.44 178.36 2oqp h LYS 22 N 0.38 -0.28 -1.32 1.25 1.57 -0.83 1.44 116.57 118.78 2oqp h LYS 22 Ca 0.11 0.02 0.38 0.00 -1.87 0.00 0.00 60.65 59.29 2oqp h LYS 22 Cb 0.10 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2oqp h LYS 22 CO -0.01 -0.19 1.11 -0.91 -0.57 0.00 0.00 179.45 178.88 2oqp h ASN 23 N -0.29 0.00 -1.63 0.86 2.35 -1.33 1.08 115.58 116.61 2oqp h ASN 23 Ca 0.14 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.20 2oqp h ASN 23 Cb 0.57 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.61 2oqp h ASN 23 CO -0.64 0.00 0.34 -1.22 -1.65 0.00 0.00 177.43 174.26 2oqp n TYR 24 N -3.76 3.13 0.21 1.19 4.01 0.49 -4.64 117.16 117.79 2oqp n TYR 24 Ca 0.29 -2.65 0.08 0.00 -0.16 0.00 0.00 57.90 55.47 2oqp n TYR 24 Cb 1.52 -0.81 0.42 0.00 -0.31 0.00 0.00 39.34 40.16 2oqp n TYR 24 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2oqp h VAL 25 N 2.07 0.69 0.00 -0.72 2.07 0.14 -2.59 116.25 117.90 2oqp h VAL 25 Ca 0.48 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2oqp h VAL 25 Cb 0.51 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2oqp h VAL 25 CO 1.22 0.27 0.31 -1.13 0.02 0.00 0.00 177.57 178.27 2oqp h ASN 26 N 0.00 0.00 -1.29 0.57 -1.24 -1.82 0.31 115.58 112.11 2oqp h ASN 26 Ca -0.00 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.42 2oqp h ASN 26 Cb 0.78 0.00 -0.42 0.00 0.73 0.00 0.00 38.32 39.42 2oqp h ASN 26 CO 0.04 0.00 -0.67 0.47 -1.29 0.00 0.00 177.43 175.97 2oqp n ASP 27 N -2.87 4.92 -4.17 1.15 9.92 -0.98 -4.83 116.55 119.69 2oqp n ASP 27 Ca -0.02 -3.73 -0.32 0.00 -0.53 0.00 0.00 54.79 50.18 2oqp n ASP 27 Cb 0.36 -0.45 -0.17 0.00 -0.64 0.00 0.00 41.12 40.22 2oqp n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2oqp s LEU 28 N -3.58 2.09 -0.29 0.64 1.43 0.11 -2.07 118.68 117.02 2oqp s LEU 28 Ca 0.49 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 2oqp s LEU 28 Cb 0.41 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2oqp s LEU 28 CO -0.12 0.09 0.54 0.54 0.23 0.00 0.00 176.35 177.62 2oqp s VAL 29 N 0.75 5.03 -0.52 -1.59 0.11 -0.60 -4.20 120.40 119.38 2oqp s VAL 29 Ca -0.09 0.78 -0.28 0.00 -2.93 0.00 0.00 61.98 59.46 2oqp s VAL 29 Cb -0.16 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 2oqp s VAL 29 CO -0.00 -0.01 1.48 -2.16 -3.33 0.00 0.00 175.10 171.07 2oqp s PRO 30 N 2.39 3.29 0.17 1.54 0.04 -1.26 -4.70 135.00 136.47 2oqp s PRO 30 Ca 0.22 0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.91 2oqp s PRO 30 Cb -0.15 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 2oqp s PRO 30 CO 0.10 -1.94 -0.06 -1.21 0.04 0.00 0.00 177.00 173.94 2oqp s GLU 31 N 5.55 1.13 -0.74 4.56 0.41 -1.26 -5.02 118.70 123.33 2oqp s GLU 31 Ca 0.57 -1.52 -0.26 0.00 -0.41 0.00 0.00 54.97 53.36 2oqp s GLU 31 Cb -0.12 -0.53 -0.07 0.00 -1.78 0.00 0.00 34.13 31.63 2oqp s GLU 31 CO 0.27 -0.01 2.12 -0.06 -0.49 0.00 0.00 175.26 177.08 2oqp s PHE 32 N -3.43 1.49 -0.12 1.61 0.08 -1.26 -4.50 117.98 111.84 2oqp s PHE 32 Ca 0.21 1.16 -0.03 0.00 0.12 0.00 0.00 56.93 58.38 2oqp s PHE 32 Cb 0.04 -3.83 -0.03 0.00 -0.57 0.00 0.00 43.02 38.63 2oqp s PHE 32 CO 0.03 -1.96 0.00 -0.51 -0.10 0.00 0.00 175.22 172.68 2oqp s LEU 33 N 11.37 3.53 0.18 -0.37 1.02 -0.87 -4.86 118.68 128.68 2oqp s LEU 33 Ca 0.79 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 54.70 2oqp s LEU 33 Cb -0.11 -1.83 -0.08 0.00 0.02 0.00 0.00 46.19 44.19 2oqp s LEU 33 CO 0.11 0.28 1.12 -2.16 0.02 0.00 0.00 176.35 175.72 2oqp s PRO 34 N -0.31 4.58 -0.06 1.29 0.04 -1.26 0.13 135.00 139.40 2oqp s PRO 34 Ca 0.07 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 2oqp s PRO 34 Cb -0.12 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.18 2oqp s PRO 34 CO 0.02 0.05 0.03 0.00 0.04 0.00 0.00 177.00 177.14 2oqp s ALA 35 N -0.25 0.49 -0.41 8.56 0.00 -1.26 -4.70 121.76 124.18 2oqp s ALA 35 Ca 0.50 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 2oqp s ALA 35 Cb -0.30 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2oqp s ALA 35 CO 0.35 -0.52 1.41 -1.25 0.00 0.00 0.00 175.76 175.76 2oqp s PRO 36 N 2.06 3.57 -0.26 0.00 0.04 -1.26 -4.70 135.00 134.45 2oqp s PRO 36 Ca 0.05 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 2oqp s PRO 36 Cb -0.12 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 2oqp s PRO 36 CO -0.04 -1.57 0.39 -2.00 0.04 0.00 0.00 177.00 173.82 2oqp s GLU 37 N 4.94 4.03 -0.08 4.56 2.12 -1.26 -4.67 118.70 128.34 2oqp s GLU 37 Ca 0.61 0.09 -0.03 0.00 0.36 0.00 0.00 54.97 56.00 2oqp s GLU 37 Cb -0.14 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.62 2oqp s GLU 37 CO 0.33 -0.27 0.06 -3.47 -0.54 0.00 0.00 175.26 171.36 2oqp n ASP 38 N 5.30 -2.42 -4.37 -1.70 -0.08 -1.26 -5.04 116.55 106.97 2oqp n ASP 38 Ca -0.08 0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 53.36 2oqp n ASP 38 Cb 0.51 -2.51 -0.14 0.00 2.34 0.00 0.00 41.12 41.32 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2oqp s VAL 39 N -0.36 3.04 0.86 5.18 -7.23 -1.26 -4.95 120.40 115.68 2oqp s VAL 39 Ca -0.06 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 2oqp s VAL 39 Cb 0.00 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.73 2oqp s VAL 39 CO 0.28 0.53 0.78 1.21 -0.31 0.00 0.00 175.10 177.59 2oqp n GLU 40 N 3.51 -0.07 -0.42 4.82 2.13 -1.26 -4.46 120.64 124.88 2oqp n GLU 40 Ca -0.18 0.04 0.36 0.00 0.66 0.00 0.00 57.16 58.04 2oqp n GLU 40 Cb 0.53 -2.11 0.61 0.00 0.27 0.00 0.00 31.44 30.74 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 -3.39 -0.23 -2.44 6.31 -1.04 -1.26 0.22 114.28 112.44 2oqp n THR 41 Ca 0.10 1.63 -0.27 0.00 -2.04 0.00 0.00 64.05 63.47 2oqp n THR 41 Cb 0.52 -2.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 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 -4.52 4.82 0.00 8.00 4.13 -1.26 -4.61 115.26 121.83 2oqp n ASN 42 Ca 0.36 -3.73 0.00 0.00 1.68 0.00 0.00 54.58 52.90 2oqp n ASN 42 Cb 1.41 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 39.17 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 -2.42 -0.03 0.22 0.00 1.02 -1.18 0.20 120.64 118.44 2oqp n GLU 44 Ca 0.00 1.02 -0.11 0.00 -0.02 0.00 0.00 57.16 58.04 2oqp n GLU 44 Cb 0.37 -2.00 -0.06 0.00 -0.02 0.00 0.00 31.44 29.72 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 -0.56 0.00 -0.32 4.06 -1.87 -1.78 115.95 115.47 2oqp h TRP 45 Ca 0.71 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.65 2oqp h TRP 45 Cb 2.29 0.19 0.00 0.00 -1.00 0.00 0.00 29.16 30.64 2oqp h TRP 45 CO -0.00 -0.27 0.24 1.03 -3.56 0.00 0.00 178.44 175.87 2oqp h SER 46 N -1.08 0.00 1.41 -3.49 0.87 0.22 1.48 113.55 112.96 2oqp h SER 46 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2oqp h SER 46 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2oqp h SER 46 CO 0.10 0.00 -0.57 0.00 -0.53 0.00 0.00 176.83 175.83 2oqp h ALA 47 N 1.50 0.71 0.60 6.23 0.00 0.28 -3.37 119.26 125.22 2oqp h ALA 47 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2oqp h ALA 47 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2oqp h ALA 47 CO 0.00 0.00 -0.38 0.35 0.00 0.00 0.00 179.25 179.22 2oqp h PHE 48 N 0.00 -1.03 -0.99 0.00 3.57 0.30 -2.57 116.94 116.22 2oqp h PHE 48 Ca 0.00 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.82 2oqp h PHE 48 Cb 0.99 0.37 -0.18 0.00 2.79 0.00 0.00 35.95 39.92 2oqp h PHE 48 CO 0.00 -0.57 0.22 0.66 -2.23 0.00 0.00 178.31 176.40 2oqp h SER 49 N -0.93 -0.17 -0.75 0.41 4.64 -1.71 0.97 113.55 116.01 2oqp h SER 49 Ca -0.08 0.27 0.13 0.00 -0.47 0.00 0.00 61.79 61.64 2oqp h SER 49 Cb 0.75 0.40 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2oqp h SER 49 CO 0.07 -0.38 -0.33 0.00 -0.87 0.00 0.00 176.83 175.32 2oqp h PHE 51 N -0.09 0.00 0.00 0.00 0.04 0.99 0.26 116.94 118.15 2oqp h PHE 51 Ca 0.29 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 2oqp h PHE 51 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 2oqp h PHE 51 CO -0.71 0.00 -0.26 1.96 -0.60 0.00 0.00 178.31 178.70 2oqp h GLN 52 N 0.00 0.00 0.08 1.51 1.08 0.31 -2.89 115.11 115.19 2oqp h GLN 52 Ca 0.06 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.91 2oqp h GLN 52 Cb 0.23 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2oqp h GLN 52 CO -0.00 0.26 -1.93 1.63 -0.95 0.00 0.00 178.83 177.84 2oqp n LYS 53 N -3.73 0.71 -0.36 1.46 4.76 0.35 -4.19 118.16 117.16 2oqp n LYS 53 Ca -0.01 0.26 0.05 0.00 -2.87 0.00 0.00 58.31 55.74 2oqp n LYS 53 Cb 0.37 -1.72 0.13 0.00 -1.84 0.00 0.00 35.03 31.96 2oqp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2oqp h ALA 54 N 0.40 0.59 -4.49 7.82 0.00 -0.40 -3.47 119.26 119.71 2oqp h ALA 54 Ca -0.39 0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2oqp h ALA 54 Cb 2.03 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 20.51 2oqp h ALA 54 CO 0.08 -0.42 -1.22 0.94 0.00 0.00 0.00 179.25 178.63 2oqp n GLN 55 N -5.61 -3.54 -2.67 0.00 7.27 -1.21 -4.88 117.38 106.74 2oqp n GLN 55 Ca 0.15 2.78 -0.42 0.00 0.07 0.00 0.00 57.00 59.58 2oqp n GLN 55 Cb 0.48 -4.10 -0.03 0.00 2.41 0.00 0.00 30.24 29.01 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 -0.50 4.37 0.00 1.69 1.98 -1.26 -5.04 118.68 119.92 2oqp s LEU 56 Ca -0.22 1.71 0.05 0.00 -2.89 0.00 0.00 54.13 52.78 2oqp s LEU 56 Cb 0.01 -3.57 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 2oqp s LEU 56 CO 0.59 -0.29 -0.16 -0.75 -1.89 0.00 0.00 176.35 173.85 2oqp s LYS 57 N 1.04 1.23 0.33 1.98 2.47 -1.26 -4.93 119.74 120.60 2oqp s LYS 57 Ca 0.53 -0.63 -0.06 0.00 -1.56 0.00 0.00 55.97 54.25 2oqp s LYS 57 Cb -0.22 -1.21 -0.05 0.00 -1.46 0.00 0.00 37.83 34.88 2oqp s LYS 57 CO 0.28 0.33 0.61 -1.54 0.16 0.00 0.00 175.35 175.18 2oqp s SER 58 N -0.57 6.44 0.55 1.43 1.04 -1.26 -1.55 113.70 119.78 2oqp s SER 58 Ca 0.05 0.79 0.37 0.00 0.48 0.00 0.00 55.95 57.64 2oqp s SER 58 Cb -0.07 -2.18 1.53 0.00 0.10 0.00 0.00 66.02 65.40 2oqp s SER 58 CO -0.00 -0.26 1.76 0.00 0.98 0.00 0.00 173.24 175.72 2oqp h ALA 59 N 1.46 3.09 -3.19 5.32 0.00 -1.58 -3.38 119.26 120.97 2oqp h ALA 59 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2oqp h ALA 59 Cb 1.19 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2oqp h ALA 59 CO 0.65 -1.50 -0.05 0.09 0.00 0.00 0.00 179.25 178.44 2oqp n ASN 60 N -4.04 -2.39 -0.00 0.00 3.02 -1.26 -4.90 115.26 105.68 2oqp n ASN 60 Ca 0.25 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2oqp n ASN 60 Cb 1.28 -1.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2oqp n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2oqp n THR 61 N -1.49 0.00 0.00 3.41 -2.24 -1.26 -5.11 114.28 107.60 2oqp n THR 61 Ca -0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2oqp n THR 61 Cb 0.51 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqp n GLY 62 N 0.79 -0.61 4.49 3.38 0.00 -1.26 -4.95 105.19 107.03 2oqp n GLY 62 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2oqp n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oqp n ASN 63 N -0.74 0.00 -0.07 1.61 5.15 -1.26 -3.39 115.26 116.55 2oqp n ASN 63 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 2oqp n ASN 63 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2oqp n ASN 64 N 4.03 0.62 -0.54 1.20 4.13 -1.26 -4.39 115.26 119.05 2oqp n ASN 64 Ca 0.00 0.00 0.42 0.00 1.68 0.00 0.00 54.58 56.68 2oqp n ASN 64 Cb 0.00 1.14 0.66 0.00 -1.54 0.00 0.00 39.78 40.04 2oqp n ASN 64 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2oqp n GLU 65 N -2.55 -0.01 -0.06 3.52 0.00 -1.22 0.19 120.64 120.50 2oqp n GLU 65 Ca -0.24 0.98 -0.12 0.00 0.00 0.00 0.00 57.16 57.79 2oqp n GLU 65 Cb 0.96 -2.14 -0.11 0.00 0.00 0.00 0.00 31.44 30.15 2oqp n GLU 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2oqp h ARG 66 N 0.00 -0.01 -0.03 5.31 9.65 -1.88 -2.59 114.38 124.83 2oqp h ARG 66 Ca 0.79 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.68 2oqp h ARG 66 Cb 2.97 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 31.55 2oqp h ARG 66 CO -0.15 0.80 0.06 0.97 2.80 0.00 0.00 179.97 184.45 2oqp h ILE 67 N -0.96 0.21 0.01 1.20 -0.00 0.18 0.33 117.51 118.47 2oqp h ILE 67 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 64.86 64.63 2oqp h ILE 67 Cb 0.81 0.94 -0.03 0.00 -0.00 0.00 0.00 36.82 38.54 2oqp h ILE 67 CO 0.00 0.00 -1.14 0.40 -0.00 0.00 0.00 178.15 177.41 2oqp h ILE 68 N 0.00 1.55 0.00 2.19 5.03 0.13 -3.08 117.51 123.34 2oqp h ILE 68 Ca 0.01 -3.28 0.00 0.00 -0.12 0.00 0.00 64.86 61.48 2oqp h ILE 68 Cb 0.14 2.78 0.00 0.00 -3.03 0.00 0.00 36.82 36.71 2oqp h ILE 68 CO -0.00 0.89 0.00 -3.20 -0.68 0.00 0.00 178.15 175.16 2oqp n ASN 69 N -3.32 0.00 0.07 1.72 2.85 0.11 -2.12 115.26 114.58 2oqp n ASN 69 Ca -0.04 -0.14 -0.11 0.00 -0.11 0.00 0.00 54.58 54.19 2oqp n ASN 69 Cb 0.97 -0.22 -0.13 0.00 1.24 0.00 0.00 39.78 41.63 2oqp n ASN 69 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2oqp h VAL 70 N 0.00 1.55 0.00 3.44 -1.51 -1.38 -3.13 116.25 115.22 2oqp h VAL 70 Ca 0.00 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 62.25 2oqp h VAL 70 Cb 0.14 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2oqp h VAL 70 CO 0.00 0.91 0.00 -1.54 -1.23 0.00 0.00 177.57 175.71 2oqp n SER 71 N -3.39 0.27 0.19 4.19 3.41 -0.90 -3.46 113.62 113.92 2oqp n SER 71 Ca -0.05 0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 58.97 2oqp n SER 71 Cb 0.98 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.47 -0.64 -1.33 1.08 -1.60 1.28 117.51 116.77 2oqp h ILE 72 Ca 0.00 -0.62 0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2oqp h ILE 72 Cb 0.49 0.71 -0.12 0.00 -3.07 0.00 0.00 36.82 34.83 2oqp h ILE 72 CO 0.00 0.09 -0.24 0.11 -0.69 0.00 0.00 178.15 177.42 2oqp h LYS 73 N -0.93 -0.07 0.32 2.37 1.79 -1.67 0.51 116.57 118.89 2oqp h LYS 73 Ca -0.05 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2oqp h LYS 73 Cb 0.54 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2oqp h LYS 73 CO 0.09 -0.05 -0.15 0.87 -1.08 0.00 0.00 179.45 179.12 2oqp h LYS 74 N -0.07 -0.42 -1.27 3.15 1.79 -1.65 -2.74 116.57 115.36 2oqp h LYS 74 Ca 0.29 0.03 0.37 0.00 -2.18 0.00 0.00 60.65 59.15 2oqp h LYS 74 Cb 0.52 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 2oqp h LYS 74 CO -0.69 -0.09 1.11 1.25 -1.08 0.00 0.00 179.45 179.96 2oqp h LEU 75 N -0.85 0.00 -3.62 2.94 5.85 0.27 1.35 115.31 121.25 2oqp h LEU 75 Ca -0.04 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.32 2oqp h LEU 75 Cb 0.52 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.40 2oqp h LEU 75 CO 0.07 0.00 0.43 0.29 -0.34 0.00 0.00 178.44 178.90 2oqp n LYS 76 N -3.68 1.91 -1.78 1.25 5.02 0.17 -4.43 118.16 116.62 2oqp n LYS 76 Ca 0.28 -1.73 -0.30 0.00 -2.02 0.00 0.00 58.31 54.54 2oqp n LYS 76 Cb 1.51 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.90 2.42 0.03 1.97 6.06 0.46 -5.00 118.95 122.99 2oqp s ARG 77 Ca 0.36 0.44 0.03 0.00 -2.50 0.00 0.00 55.73 54.06 2oqp s ARG 77 Cb 0.27 -1.97 -0.04 0.00 0.06 0.00 0.00 34.95 33.27 2oqp s ARG 77 CO -0.03 -1.34 -0.04 0.21 -2.50 0.00 0.00 175.30 171.60 2oqp s LYS 78 N -5.34 2.59 1.00 5.12 2.20 -1.26 -4.92 119.74 119.13 2oqp s LYS 78 Ca 0.60 -0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 55.32 2oqp s LYS 78 Cb -0.12 -2.54 0.19 0.00 -1.51 0.00 0.00 37.83 33.85 2oqp s LYS 78 CO 0.52 0.59 1.18 -1.25 -0.36 0.00 0.00 175.35 176.03 2oqp s PRO 79 N -1.68 0.41 0.00 4.03 0.04 -1.26 -5.06 135.00 131.47 2oqp s PRO 79 Ca 0.20 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2oqp s PRO 79 Cb -0.11 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2oqp s PRO 79 CO 0.11 -2.64 0.03 -0.35 0.04 0.00 0.00 177.00 174.19 2oqp n PRO 80 N -4.02 0.00 0.04 0.56 -0.04 -1.26 -4.96 135.00 125.32 2oqp n PRO 80 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2oqp n PRO 80 Cb 0.59 -0.26 -0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2oqp n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oqp n SER 81 N -0.14 1.06 -3.57 3.54 2.88 -1.26 -4.84 113.62 111.30 2oqp n SER 81 Ca 0.00 0.14 -0.43 0.00 -1.33 0.00 0.00 58.87 57.25 2oqp n SER 81 Cb 0.00 -0.33 -0.08 0.00 -0.75 0.00 0.00 64.21 63.05 2oqp n SER 81 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2oqp n THR 82 N -3.50 1.19 -0.01 2.46 5.66 -1.26 -4.53 114.28 114.29 2oqp n THR 82 Ca -0.01 -1.03 -0.12 0.00 -3.05 0.00 0.00 64.05 59.84 2oqp n THR 82 Cb 0.07 -2.20 -0.10 0.00 -1.55 0.00 0.00 70.33 66.55 2oqp n THR 82 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2oqp h ASN 83 N 8.58 -0.07 -1.02 1.09 7.08 -1.90 -3.19 115.58 126.16 2oqp h ASN 83 Ca 0.36 -0.57 0.08 0.00 -3.08 0.00 0.00 56.30 53.09 2oqp h ASN 83 Cb 0.66 0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.90 2oqp h ASN 83 CO 1.98 0.59 -0.10 0.00 -2.08 0.00 0.00 177.43 177.82 2oqp n ALA 84 N -2.51 -0.97 0.00 4.14 0.00 -1.26 -4.51 120.51 115.39 2oqp n ALA 84 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oqp n ALA 84 Cb 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.87 0.80 2.22 0.00 0.00 -1.26 -4.98 105.19 101.09 2oqp n GLY 85 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2oqp n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2oqp n ARG 86 N 0.00 0.00 0.14 1.61 0.63 -1.26 -5.07 116.66 112.71 2oqp n ARG 86 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2oqp n ARG 86 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2oqp n ARG 86 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2oqp n ARG 87 N -3.45 0.00 -3.64 -0.14 3.00 -1.26 -5.16 116.66 106.01 2oqp n ARG 87 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 2oqp n ARG 87 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2oqp n ARG 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2oqp s GLN 88 N -1.79 0.09 0.17 -0.14 0.74 -1.26 -4.86 119.66 112.61 2oqp s GLN 88 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.45 2oqp s GLN 88 Cb 0.00 0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.17 2oqp s GLN 88 CO 0.00 -0.03 0.14 0.36 -0.55 0.00 0.00 175.29 175.22 2oqp n LYS 89 N 0.59 1.19 -3.37 1.67 2.85 -1.26 -5.04 118.16 114.78 2oqp n LYS 89 Ca -0.01 -1.04 -0.16 0.00 -1.05 0.00 0.00 58.31 56.05 2oqp n LYS 89 Cb 0.59 0.09 -0.04 0.00 -0.65 0.00 0.00 35.03 35.02 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2oqp n HIS 90 N -0.97 0.33 -0.98 5.58 -0.00 -1.26 -4.77 115.22 113.14 2oqp n HIS 90 Ca 0.00 -1.40 0.00 0.00 0.46 0.00 0.00 57.72 56.79 2oqp n HIS 90 Cb 0.19 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2oqp n HIS 90 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2oqp n ARG 91 N -0.58 0.00 -3.21 1.57 0.00 -1.26 -4.89 116.66 108.29 2oqp n ARG 91 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2oqp n ARG 91 Cb 0.34 -2.48 0.00 0.00 0.00 0.00 0.00 32.46 30.32 2oqp n ARG 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2oqp n LEU 92 N 0.00 0.00 -2.97 6.15 -0.00 -1.26 -5.05 117.00 113.87 2oqp n LEU 92 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 2oqp n LEU 92 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2oqp n LEU 92 CO 0.00 0.00 0.25 0.41 -0.00 0.00 0.00 177.39 178.05 2oqp n THR 93 N 0.10 3.28 -3.03 1.47 -1.04 -1.26 -4.91 114.28 108.90 2oqp n THR 93 Ca 0.00 -5.58 -0.41 0.00 -2.04 0.00 0.00 64.05 56.02 2oqp n THR 93 Cb 0.00 -1.40 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 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 2.06 2.89 0.90 0.00 0.04 -1.26 -4.72 135.00 134.91 2oqp s PRO 95 Ca 0.32 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 2oqp s PRO 95 Cb -0.16 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.55 2oqp s PRO 95 CO 0.11 -1.13 1.26 -1.54 0.04 0.00 0.00 177.00 175.74 2oqp s SER 96 N -3.80 3.64 -0.91 6.66 1.04 -1.26 -4.94 113.70 114.13 2oqp s SER 96 Ca 0.58 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2oqp s SER 96 Cb -0.14 -0.64 0.33 0.00 0.10 0.00 0.00 66.02 65.67 2oqp s SER 96 CO 0.55 -2.42 1.65 0.00 0.98 0.00 0.00 173.24 174.01 2oqp n ASP 98 N -0.16 0.19 -3.04 0.00 2.03 -1.26 -4.86 116.55 109.44 2oqp n ASP 98 Ca 0.44 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.52 2oqp n ASP 98 Cb 0.29 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2oqp n SER 99 N -2.28 5.46 -0.82 1.67 2.88 -1.26 -4.72 113.62 114.55 2oqp n SER 99 Ca 0.00 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 2oqp n SER 99 Cb 0.07 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2oqp n TYR 100 N 3.84 -0.26 -5.01 0.66 4.01 -1.26 -5.06 117.16 114.07 2oqp n TYR 100 Ca 0.49 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.90 2oqp n TYR 100 Cb 0.22 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.11 2oqp n TYR 100 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2oqp s GLU 101 N -1.47 2.79 1.21 -0.72 2.12 -1.26 -5.06 118.70 116.30 2oqp s GLU 101 Ca 0.00 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 2oqp s GLU 101 Cb 0.00 -2.37 0.24 0.00 0.26 0.00 0.00 34.13 32.26 2oqp s GLU 101 CO 0.00 0.40 0.52 1.63 -0.54 0.00 0.00 175.26 177.28 2oqp n LYS 102 N 2.93 -2.89 -3.80 4.30 4.76 -1.26 -4.37 118.16 117.83 2oqp n LYS 102 Ca -0.18 -0.84 -0.08 0.00 -2.87 0.00 0.00 58.31 54.34 2oqp n LYS 102 Cb 0.52 -1.79 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2oqp s LYS 103 N -4.07 1.68 1.00 1.97 1.02 0.12 -4.88 119.74 116.57 2oqp s LYS 103 Ca 0.57 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 2oqp s LYS 103 Cb -0.13 0.59 0.19 0.00 -0.52 0.00 0.00 37.83 37.96 2oqp s LYS 103 CO 0.55 -0.76 1.18 -1.25 -0.92 0.00 0.00 175.35 174.15 2oqp s PRO 104 N -3.90 0.39 -0.06 -1.68 0.04 -1.26 -2.05 135.00 126.47 2oqp s PRO 104 Ca 0.10 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.89 2oqp s PRO 104 Cb -0.05 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.49 2oqp s PRO 104 CO 0.04 -2.65 1.04 -1.00 0.04 0.00 0.00 177.00 174.47 2oqp h PRO 105 N -1.82 0.09 -0.90 0.56 0.13 -1.84 0.86 132.00 129.08 2oqp h PRO 105 Ca -0.47 -0.09 0.24 0.00 -0.87 0.00 0.00 66.00 64.81 2oqp h PRO 105 Cb 1.30 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2oqp h PRO 105 CO 0.48 0.82 0.35 1.57 -0.23 0.00 0.00 178.00 180.99 2oqp h LYS 106 N -0.60 0.30 0.06 0.86 2.10 -1.95 0.57 116.57 117.91 2oqp h LYS 106 Ca -0.01 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2oqp h LYS 106 Cb 0.85 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2oqp h LYS 106 CO 0.02 0.20 -0.03 0.93 -2.00 0.00 0.00 179.45 178.57 2oqp h GLU 107 N 0.31 -0.08 -1.31 0.07 5.08 -1.95 -1.13 114.58 115.56 2oqp h GLU 107 Ca 0.58 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 59.33 2oqp h GLU 107 Cb 1.16 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 2oqp h GLU 107 CO -0.59 0.37 0.90 0.35 -1.00 0.00 0.00 179.01 179.05 2oqp h PHE 108 N -0.96 0.27 0.03 4.33 3.57 0.17 1.12 116.94 125.47 2oqp h PHE 108 Ca -0.01 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2oqp h PHE 108 Cb 0.50 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2oqp h PHE 108 CO 0.12 -0.03 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.51 2oqp h LEU 109 N 0.11 0.09 -2.91 0.59 -0.00 0.04 -1.40 115.31 111.83 2oqp h LEU 109 Ca 0.69 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2oqp h LEU 109 Cb 2.41 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 43.04 2oqp h LEU 109 CO -0.17 1.24 0.01 -0.08 -0.00 0.00 0.00 178.44 179.44 2oqp h GLU 110 N -0.85 0.00 0.02 1.13 4.81 0.79 -0.62 114.58 119.85 2oqp h GLU 110 Ca -0.14 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.82 2oqp h GLU 110 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2oqp h GLU 110 CO -0.03 0.00 -1.47 -2.13 -0.73 0.00 0.00 179.01 174.65 2oqp n ARG 111 N -3.17 0.60 0.04 1.92 0.63 0.35 -3.79 116.66 113.24 2oqp n ARG 111 Ca -0.03 0.50 -0.11 0.00 -0.92 0.00 0.00 57.85 57.30 2oqp n ARG 111 Cb 0.08 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.22 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2oqp h PHE 112 N -0.81 -0.63 -0.39 -0.14 3.57 -0.68 0.35 116.94 118.21 2oqp h PHE 112 Ca -0.39 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.22 2oqp h PHE 112 Cb 1.45 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 40.39 2oqp h PHE 112 CO 0.08 -0.32 -0.32 -0.22 -2.23 0.00 0.00 178.31 175.30 2oqp h LYS 113 N -0.35 -0.24 -0.10 1.11 3.64 -1.34 0.41 116.57 119.70 2oqp h LYS 113 Ca 0.07 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2oqp h LYS 113 Cb 0.45 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2oqp h LYS 113 CO -0.23 -0.16 -0.07 1.03 -2.27 0.00 0.00 179.45 177.74 2oqp h SER 114 N -0.25 -0.23 -0.99 4.20 0.87 -1.52 0.59 113.55 116.22 2oqp h SER 114 Ca 0.17 0.05 0.29 0.00 -1.23 0.00 0.00 61.79 61.07 2oqp h SER 114 Cb 0.53 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.48 2oqp h SER 114 CO -0.53 -0.10 0.56 0.25 -0.53 0.00 0.00 176.83 176.47 2oqp h LEU 115 N -0.08 0.54 0.17 2.23 7.12 0.12 2.10 115.31 127.51 2oqp h LEU 115 Ca 0.07 0.17 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 2oqp h LEU 115 Cb 0.18 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2oqp h LEU 115 CO -0.15 -0.04 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.96 2oqp h LEU 116 N 0.42 -0.19 0.00 2.25 3.38 0.37 -0.66 115.31 120.88 2oqp h LEU 116 Ca 0.69 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2oqp h LEU 116 Cb 1.46 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2oqp h LEU 116 CO -0.56 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.25 2oqp n GLN 117 N -4.97 0.21 0.00 1.13 -0.00 0.52 0.03 117.38 114.29 2oqp n GLN 117 Ca -0.09 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 2oqp n GLN 117 Cb 0.26 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.00 2oqp n GLN 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2oqp n LYS 118 N -1.24 0.00 -0.01 2.61 5.02 0.68 -4.40 118.16 120.82 2oqp n LYS 118 Ca 0.06 0.12 -0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2oqp n LYS 118 Cb 0.09 -0.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2oqp n LYS 118 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2oqp h MET 119 N 0.00 0.00 -1.83 1.97 4.05 -1.16 -2.94 114.93 115.03 2oqp h MET 119 Ca 0.00 0.00 0.54 0.00 -0.28 0.00 0.00 59.70 59.96 2oqp h MET 119 Cb 0.00 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.72 2oqp h MET 119 CO 0.00 0.00 1.30 -0.89 0.23 0.00 0.00 176.91 177.55 2oqp n ILE 120 N -2.73 -0.03 0.00 1.77 -0.00 -0.69 -0.18 119.36 117.50 2oqp n ILE 120 Ca -0.00 1.46 0.00 0.00 -0.00 0.00 0.00 62.75 64.20 2oqp n ILE 120 Cb 0.01 -2.42 0.00 0.00 -0.00 0.00 0.00 39.64 37.23 2oqp n ILE 120 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2oqp n HIS 121 N -3.92 0.00 -0.48 1.39 -0.00 0.10 -3.46 115.22 108.85 2oqp n HIS 121 Ca 0.42 0.00 0.39 0.00 0.46 0.00 0.00 57.72 58.99 2oqp n HIS 121 Cb 1.88 -0.43 0.70 0.00 -0.12 0.00 0.00 29.99 32.02 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 2oqp h GLN 122 N 0.00 0.08 -0.84 1.57 3.07 -0.56 0.29 115.11 118.72 2oqp h GLN 122 Ca 0.00 -0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.86 2oqp h GLN 122 Cb 0.00 -0.02 -0.14 0.00 0.08 0.00 0.00 27.48 27.40 2oqp h GLN 122 CO 0.00 0.05 -0.41 1.25 0.09 0.00 0.00 178.83 179.81 2oqp h HIS 123 N 0.08 -1.18 0.00 0.06 2.76 -0.59 -2.34 115.15 113.94 2oqp h HIS 123 Ca 0.78 0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 58.93 2oqp h HIS 123 Cb 2.72 0.64 -0.02 0.00 1.55 0.00 0.00 27.41 32.29 2oqp h HIS 123 CO -0.00 -0.40 -1.27 -0.11 -1.30 0.00 0.00 177.93 174.85 2oqp n LEU 124 N -5.43 1.91 -4.32 0.26 7.94 0.63 -4.74 117.00 113.24 2oqp n LEU 124 Ca 0.07 0.40 -0.46 0.00 -1.11 0.00 0.00 56.01 54.91 2oqp n LEU 124 Cb 0.37 -0.81 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 2oqp n LEU 124 CO -0.09 -0.08 0.55 -0.55 -1.11 0.00 0.00 177.39 176.12 2oqp s SER 125 N -6.31 6.93 0.09 1.96 0.15 0.71 -4.93 113.70 112.30 2oqp s SER 125 Ca -0.28 -3.07 -0.19 0.00 0.70 0.00 0.00 55.95 53.11 2oqp s SER 125 Cb 0.06 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.12 2oqp s SER 125 CO 0.41 -0.45 1.33 0.28 1.20 0.00 0.00 173.24 176.01 2oqp h SER 126 N 7.30 -1.22 -4.27 5.45 0.02 -1.60 -3.10 113.55 116.13 2oqp h SER 126 Ca 0.13 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2oqp h SER 126 Cb 0.97 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2oqp h SER 126 CO 0.85 -0.20 -0.79 -1.14 -1.14 0.00 0.00 176.83 174.42 2oqp n ARG 127 N -4.34 -4.43 -1.64 3.45 0.63 -1.26 -4.37 116.66 104.70 2oqp n ARG 127 Ca -0.01 3.26 -0.46 0.00 -0.92 0.00 0.00 57.85 59.72 2oqp n ARG 127 Cb 0.18 -3.69 -0.03 0.00 0.45 0.00 0.00 32.46 29.38 2oqp n ARG 127 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2oqp n THR 128 N 1.53 0.93 -1.69 5.15 -1.04 -1.26 -4.79 114.28 113.12 2oqp n THR 128 Ca 0.00 -0.23 -0.53 0.00 -2.04 0.00 0.00 64.05 61.25 2oqp n THR 128 Cb 0.00 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.19 2oqp n THR 128 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2oqp n HIS 129 N 1.76 2.12 0.00 -1.42 8.25 -1.26 -4.84 115.22 119.83 2oqp n HIS 129 Ca 0.13 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2oqp n HIS 129 Cb 0.29 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.87 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oqp n GLY 130 N 4.06 -0.82 3.76 -1.41 0.00 -1.26 -5.15 105.19 104.36 2oqp n GLY 130 Ca 0.24 0.79 -0.39 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 6.98 -1.15 1.61 0.15 -1.26 -4.97 113.70 115.06 2oqp s SER 131 Ca 0.00 1.17 -0.22 0.00 0.70 0.00 0.00 55.95 57.60 2oqp s SER 131 Cb 0.00 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2oqp s SER 131 CO 0.00 0.08 1.83 -0.70 1.20 0.00 0.00 173.24 175.65 2oqp s GLU 132 N -0.10 3.04 0.20 5.44 2.12 -1.26 -4.93 118.70 123.21 2oqp s GLU 132 Ca 0.32 -1.24 -0.32 0.00 0.36 0.00 0.00 54.97 54.08 2oqp s GLU 132 Cb -0.18 -5.31 -0.14 0.00 0.26 0.00 0.00 34.13 28.76 2oqp s GLU 132 CO 0.17 -3.21 1.41 -0.25 -0.54 0.00 0.00 175.26 172.84 2oqp n ASP 133 N 12.07 2.57 0.00 -1.70 9.92 -1.26 -5.38 116.55 132.77 2oqp n ASP 133 Ca 0.44 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.83 2oqp n ASP 133 Cb 0.47 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2oqp n ASP 133 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09