#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp n GLN 2 N 0.00 0.43 0.00 2.12 0.00 -1.26 -4.98 117.38 113.69 2oqp n GLN 2 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.17 2oqp n GLN 2 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oqp n GLY 3 N 1.64 -0.33 3.74 1.69 0.00 -1.26 -5.00 105.19 105.68 2oqp n GLY 3 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.17 4.75 -0.55 1.61 1.11 -1.26 -5.00 119.66 120.16 2oqp s GLN 4 Ca 0.00 1.56 -0.23 0.00 0.01 0.00 0.00 55.36 56.70 2oqp s GLN 4 Cb 0.00 -3.29 0.05 0.00 -1.01 0.00 0.00 33.01 28.76 2oqp s GLN 4 CO 0.00 0.34 0.85 0.34 0.01 0.00 0.00 175.29 176.83 2oqp s ASP 5 N -0.70 6.29 0.34 5.90 2.15 -1.26 -1.28 116.67 128.12 2oqp s ASP 5 Ca 0.44 -0.56 0.14 0.00 0.43 0.00 0.00 52.55 53.01 2oqp s ASP 5 Cb -0.27 -2.39 1.05 0.00 -0.30 0.00 0.00 42.92 41.01 2oqp s ASP 5 CO 0.33 -1.15 1.69 0.03 -0.17 0.00 0.00 175.17 175.90 2oqp h ARG 6 N 9.24 0.38 0.03 4.34 2.47 -1.99 -1.44 114.38 127.41 2oqp h ARG 6 Ca -0.27 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2oqp h ARG 6 Cb 1.08 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2oqp h ARG 6 CO 1.06 0.25 -0.03 0.45 0.56 0.00 0.00 179.97 182.26 2oqp h HIS 7 N 0.39 -0.09 -0.94 3.04 3.86 -2.01 -2.75 115.15 116.65 2oqp h HIS 7 Ca 0.70 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 60.03 2oqp h HIS 7 Cb 1.59 0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.96 2oqp h HIS 7 CO -0.01 -0.04 -0.47 -0.12 0.86 0.00 0.00 177.93 178.15 2oqp n MET 8 N -2.48 -0.33 -0.30 2.45 1.56 -0.59 0.18 117.12 117.62 2oqp n MET 8 Ca -0.01 1.43 0.29 0.00 -0.27 0.00 0.00 57.70 59.14 2oqp n MET 8 Cb 0.03 -2.11 0.53 0.00 2.15 0.00 0.00 33.22 33.82 2oqp n MET 8 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oqp n ILE 9 N -5.27 -0.39 -0.24 1.12 5.41 -0.89 0.19 119.36 119.29 2oqp n ILE 9 Ca 0.05 1.88 -0.10 0.00 1.00 0.00 0.00 62.75 65.58 2oqp n ILE 9 Cb 0.30 -3.05 -0.06 0.00 -0.71 0.00 0.00 39.64 36.12 2oqp n ILE 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2oqp h ARG 10 N 0.00 -0.21 0.05 0.38 9.65 0.23 0.40 114.38 124.88 2oqp h ARG 10 Ca 0.78 0.01 -0.32 0.00 -1.10 0.00 0.00 59.98 59.35 2oqp h ARG 10 Cb 2.04 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 30.63 2oqp h ARG 10 CO -0.72 -0.14 -1.83 0.00 2.80 0.00 0.00 179.97 180.08 2oqp n MET 11 N -5.37 0.68 -0.14 0.20 0.00 0.20 -3.94 117.12 108.76 2oqp n MET 11 Ca 0.01 0.28 -0.04 0.00 0.00 0.00 0.00 57.70 57.95 2oqp n MET 11 Cb 0.33 -1.76 0.03 0.00 0.00 0.00 0.00 33.22 31.82 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 0.03 0.04 -0.70 3.17 3.08 0.24 -0.19 114.38 120.05 2oqp h ARG 12 Ca -0.34 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.75 2oqp h ARG 12 Cb 2.03 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 32.02 2oqp h ARG 12 CO 0.08 0.03 0.42 1.96 -1.07 0.00 0.00 179.97 181.39 2oqp h GLN 13 N 0.04 0.77 0.07 0.04 1.08 -0.37 -1.34 115.11 115.41 2oqp h GLN 13 Ca 0.22 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2oqp h GLN 13 Cb 0.33 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2oqp h GLN 13 CO -0.42 0.51 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.81 2oqp h LEU 14 N 0.79 -0.26 -0.95 1.46 3.38 -1.21 1.61 115.31 120.14 2oqp h LEU 14 Ca 0.30 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.55 2oqp h LEU 14 Cb 0.10 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 40.77 2oqp h LEU 14 CO -0.14 -0.11 0.07 0.40 0.09 0.00 0.00 178.44 178.75 2oqp h ILE 15 N -0.17 0.09 -0.17 1.22 5.03 -1.09 1.13 117.51 123.56 2oqp h ILE 15 Ca -0.01 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 2oqp h ILE 15 Cb 0.15 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 33.98 2oqp h ILE 15 CO -0.02 0.01 0.06 -0.78 -0.68 0.00 0.00 178.15 176.74 2oqp h ASP 16 N 0.04 0.23 -0.27 1.72 3.58 -0.56 -1.48 116.42 119.69 2oqp h ASP 16 Ca 0.58 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.93 2oqp h ASP 16 Cb 1.21 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.13 2oqp h ASP 16 CO -0.85 0.34 -0.22 0.40 -2.88 0.00 0.00 179.24 176.02 2oqp h ILE 17 N 0.11 0.42 0.02 2.25 5.03 1.08 0.18 117.51 126.59 2oqp h ILE 17 Ca 0.06 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.80 2oqp h ILE 17 Cb 0.18 0.42 -0.00 0.00 -3.03 0.00 0.00 36.82 34.39 2oqp h ILE 17 CO -0.00 0.00 -0.03 0.58 -0.68 0.00 0.00 178.15 178.02 2oqp h VAL 18 N -0.21 0.00 -0.93 1.67 2.07 -0.26 -0.81 116.25 117.78 2oqp h VAL 18 Ca 0.15 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.00 2oqp h VAL 18 Cb 0.44 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.04 2oqp h VAL 18 CO -0.40 0.00 0.31 -0.67 0.02 0.00 0.00 177.57 176.83 2oqp n ASP 19 N -2.54 0.15 -0.07 0.57 -0.08 -0.57 0.22 116.55 114.23 2oqp n ASP 19 Ca -0.01 1.55 -0.07 0.00 -1.51 0.00 0.00 54.79 54.75 2oqp n ASP 19 Cb 0.03 -0.68 -0.01 0.00 2.34 0.00 0.00 41.12 42.80 2oqp n ASP 19 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2oqp h GLN 20 N 0.00 0.06 0.01 -0.67 5.75 0.46 1.32 115.11 122.04 2oqp h GLN 20 Ca 0.70 -0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.96 2oqp h GLN 20 Cb 1.71 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 30.26 2oqp h GLN 20 CO -0.78 0.04 -0.98 1.37 -2.65 0.00 0.00 178.83 175.83 2oqp h LEU 21 N 0.06 0.60 -1.20 -2.39 8.10 0.39 -3.13 115.31 117.75 2oqp h LEU 21 Ca 0.13 -0.49 -0.03 0.00 0.11 0.00 0.00 57.88 57.60 2oqp h LEU 21 Cb 0.17 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 2oqp h LEU 21 CO -0.23 1.29 0.24 0.50 -4.11 0.00 0.00 178.44 176.14 2oqp h LYS 22 N 0.25 0.80 0.00 0.17 3.64 0.31 0.14 116.57 121.88 2oqp h LYS 22 Ca -0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2oqp h LYS 22 Cb 1.62 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2oqp h LYS 22 CO 0.17 0.64 0.00 -1.71 -2.27 0.00 0.00 179.45 176.29 2oqp n ASN 23 N -4.35 0.52 -0.95 4.20 2.85 0.45 -1.16 115.26 116.82 2oqp n ASN 23 Ca 0.05 0.66 0.03 0.00 -0.11 0.00 0.00 54.58 55.22 2oqp n ASN 23 Cb 0.15 -0.76 0.23 0.00 1.24 0.00 0.00 39.78 40.63 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2oqp n TYR 24 N -2.11 0.95 -0.33 1.20 4.02 0.46 -4.67 117.16 116.68 2oqp n TYR 24 Ca 0.01 -1.17 0.23 0.00 -0.01 0.00 0.00 57.90 56.96 2oqp n TYR 24 Cb 0.15 -0.38 0.51 0.00 -0.02 0.00 0.00 39.34 39.60 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 2oqp h VAL 25 N 1.34 0.50 -0.10 -0.72 3.04 -0.84 1.50 116.25 120.97 2oqp h VAL 25 Ca 0.09 -0.13 0.03 0.00 -1.01 0.00 0.00 66.70 65.68 2oqp h VAL 25 Cb 1.51 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2oqp h VAL 25 CO 0.28 0.07 0.42 -1.13 -1.01 0.00 0.00 177.57 176.20 2oqp h ASN 26 N 0.38 0.00 -1.35 3.17 -1.24 -1.84 0.47 115.58 115.18 2oqp h ASN 26 Ca 0.61 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 57.01 2oqp h ASN 26 Cb 1.55 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 40.20 2oqp h ASN 26 CO -0.31 0.00 -0.44 0.47 -1.29 0.00 0.00 177.43 175.86 2oqp n ASP 27 N -3.02 5.29 -4.33 1.15 9.92 0.51 -4.96 116.55 121.11 2oqp n ASP 27 Ca 0.00 -3.75 -0.27 0.00 -0.53 0.00 0.00 54.79 50.25 2oqp n ASP 27 Cb 0.49 -0.53 -0.13 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.64 2.28 -0.26 0.64 1.43 0.16 -3.27 118.68 116.02 2oqp s LEU 28 Ca 0.50 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2oqp s LEU 28 Cb 0.41 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2oqp s LEU 28 CO -0.15 0.14 0.14 0.54 0.23 0.00 0.00 176.35 177.25 2oqp s VAL 29 N -1.05 4.95 -0.31 -1.59 0.11 -0.47 -3.85 120.40 118.19 2oqp s VAL 29 Ca 0.10 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2oqp s VAL 29 Cb -0.10 -3.34 -0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2oqp s VAL 29 CO 0.04 0.29 1.36 -2.16 -3.33 0.00 0.00 175.10 171.30 2oqp s PRO 30 N 1.64 3.84 0.09 1.54 0.04 -1.26 -4.67 135.00 136.23 2oqp s PRO 30 Ca 0.07 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 2oqp s PRO 30 Cb -0.15 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2oqp s PRO 30 CO 0.08 -1.22 0.05 -1.21 0.04 0.00 0.00 177.00 174.75 2oqp s GLU 31 N 4.36 0.78 -0.74 4.56 0.41 -1.26 -5.02 118.70 121.79 2oqp s GLU 31 Ca 0.59 -1.24 -0.26 0.00 -0.41 0.00 0.00 54.97 53.65 2oqp s GLU 31 Cb -0.17 0.25 -0.07 0.00 -1.78 0.00 0.00 34.13 32.36 2oqp s GLU 31 CO 0.25 -0.20 2.14 -0.06 -0.49 0.00 0.00 175.26 176.90 2oqp s PHE 32 N -3.95 1.46 -0.14 1.61 0.08 -1.26 -4.53 117.98 111.24 2oqp s PHE 32 Ca 0.13 1.21 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 2oqp s PHE 32 Cb 0.07 -3.80 -0.02 0.00 -0.57 0.00 0.00 43.02 38.69 2oqp s PHE 32 CO -0.06 -1.96 -0.07 -0.51 -0.10 0.00 0.00 175.22 172.53 2oqp s LEU 33 N 11.57 3.08 -0.57 -0.37 1.02 -1.00 -4.89 118.68 127.52 2oqp s LEU 33 Ca 0.81 -0.17 -0.28 0.00 0.02 0.00 0.00 54.13 54.51 2oqp s LEU 33 Cb -0.12 -1.72 0.01 0.00 0.02 0.00 0.00 46.19 44.38 2oqp s LEU 33 CO 0.11 0.19 1.50 -2.16 0.02 0.00 0.00 176.35 176.01 2oqp s PRO 34 N 0.21 3.18 -0.25 1.29 0.04 -1.26 0.92 135.00 139.12 2oqp s PRO 34 Ca -0.04 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 2oqp s PRO 34 Cb -0.14 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 30.25 2oqp s PRO 34 CO 0.04 -2.09 -0.06 0.00 0.04 0.00 0.00 177.00 174.93 2oqp s ALA 35 N 6.59 2.71 -0.01 8.56 0.00 -1.26 -4.71 121.76 133.65 2oqp s ALA 35 Ca 0.55 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2oqp s ALA 35 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2oqp s ALA 35 CO 0.24 -0.87 1.20 -1.25 0.00 0.00 0.00 175.76 175.08 2oqp s PRO 36 N 1.31 4.39 -0.21 0.00 0.04 -1.26 -4.69 135.00 134.58 2oqp s PRO 36 Ca -0.01 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 2oqp s PRO 36 Cb -0.17 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2oqp s PRO 36 CO -0.04 -0.36 -0.11 -2.00 0.04 0.00 0.00 177.00 174.53 2oqp s GLU 37 N 1.72 3.07 -0.18 4.56 2.12 -1.26 -4.57 118.70 124.17 2oqp s GLU 37 Ca 0.57 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 2oqp s GLU 37 Cb -0.27 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2oqp s GLU 37 CO 0.25 -0.26 0.15 -3.47 -0.54 0.00 0.00 175.26 171.39 2oqp n ASP 38 N 4.69 -2.52 -4.33 -1.70 -0.08 -1.26 -4.98 116.55 106.37 2oqp n ASP 38 Ca -0.19 -0.07 -0.37 0.00 -1.51 0.00 0.00 54.79 52.65 2oqp n ASP 38 Cb 0.49 -1.08 0.04 0.00 2.34 0.00 0.00 41.12 42.92 2oqp n ASP 38 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2oqp n VAL 39 N -2.88 1.01 -0.63 5.18 0.24 -1.26 -4.88 118.33 115.11 2oqp n VAL 39 Ca -0.00 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.34 61.54 2oqp n VAL 39 Cb 0.51 -0.39 0.19 0.00 -1.47 0.00 0.00 33.84 32.67 2oqp n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2oqp n GLU 40 N 0.50 -1.42 -0.19 7.34 2.13 -1.26 -4.78 120.64 122.96 2oqp n GLU 40 Ca 0.08 -0.38 -0.04 0.00 0.66 0.00 0.00 57.16 57.48 2oqp n GLU 40 Cb 0.50 -2.00 0.03 0.00 0.27 0.00 0.00 31.44 30.24 2oqp n GLU 40 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2oqp h THR 41 N -2.14 0.25 -1.90 6.31 2.02 -2.05 -1.12 112.91 114.28 2oqp h THR 41 Ca -0.52 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 65.97 2oqp h THR 41 Cb 1.32 0.25 -0.34 0.00 -1.74 0.00 0.00 68.15 67.64 2oqp h THR 41 CO 0.41 0.00 0.18 0.59 0.37 0.00 0.00 175.52 177.07 2oqp n ASN 42 N -5.44 6.07 -0.00 4.18 4.13 -1.26 -4.42 115.26 118.52 2oqp n ASN 42 Ca 0.05 -3.75 -0.00 0.00 1.68 0.00 0.00 54.58 52.55 2oqp n ASN 42 Cb 0.35 -0.79 -0.01 0.00 -1.54 0.00 0.00 39.78 37.79 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 -2.09 -0.00 -0.06 0.00 1.02 -1.24 0.18 120.64 118.44 2oqp n GLU 44 Ca -0.01 0.98 -0.08 0.00 -0.02 0.00 0.00 57.16 58.03 2oqp n GLU 44 Cb 0.52 -2.21 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 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 0.00 0.00 -0.32 4.06 -1.92 -2.88 115.95 114.88 2oqp h TRP 45 Ca 0.82 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.77 2oqp h TRP 45 Cb 3.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 31.38 2oqp h TRP 45 CO -0.00 0.53 0.26 1.03 -3.56 0.00 0.00 178.44 176.70 2oqp h SER 46 N -1.00 0.00 0.47 -3.49 0.87 0.17 0.60 113.55 111.16 2oqp h SER 46 Ca -0.03 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.22 2oqp h SER 46 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2oqp h SER 46 CO -0.02 0.00 -1.46 0.00 -0.53 0.00 0.00 176.83 174.82 2oqp h ALA 47 N 1.46 0.17 -0.90 6.23 0.00 0.83 -3.26 119.26 123.78 2oqp h ALA 47 Ca 0.00 -1.03 0.24 0.00 0.00 0.00 0.00 54.91 54.12 2oqp h ALA 47 Cb 0.52 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 2oqp h ALA 47 CO 0.00 1.04 0.09 0.35 0.00 0.00 0.00 179.25 180.74 2oqp h PHE 48 N 0.08 0.08 -0.29 0.00 3.04 0.44 0.64 116.94 120.93 2oqp h PHE 48 Ca -0.22 0.06 -0.14 0.00 3.98 0.00 0.00 57.97 61.65 2oqp h PHE 48 Cb 2.02 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 40.64 2oqp h PHE 48 CO 0.07 -0.32 -0.38 0.77 -2.02 0.00 0.00 178.31 176.43 2oqp h SER 49 N 0.09 0.84 -0.90 0.41 0.02 -1.66 -2.94 113.55 109.40 2oqp h SER 49 Ca 0.55 -0.50 0.13 0.00 -0.84 0.00 0.00 61.79 61.13 2oqp h SER 49 Cb 1.10 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 63.31 2oqp h SER 49 CO -0.78 1.17 0.52 0.00 -1.14 0.00 0.00 176.83 176.59 2oqp h PHE 51 N 0.78 0.00 -0.01 0.00 0.04 -0.32 -2.22 116.94 115.21 2oqp h PHE 51 Ca 0.47 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.22 2oqp h PHE 51 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2oqp h PHE 51 CO -0.05 0.02 -0.06 1.96 -0.60 0.00 0.00 178.31 179.59 2oqp h GLN 52 N 0.00 0.06 -0.65 1.51 1.08 0.31 -3.24 115.11 114.18 2oqp h GLN 52 Ca -0.00 -0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2oqp h GLN 52 Cb 0.06 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 2oqp h GLN 52 CO 0.00 0.70 0.24 -0.22 -0.95 0.00 0.00 178.83 178.60 2oqp h LYS 53 N -0.56 0.39 -0.84 1.46 1.63 -0.82 -2.01 116.57 115.82 2oqp h LYS 53 Ca -0.00 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2oqp h LYS 53 Cb 0.71 -0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.15 2oqp h LYS 53 CO 0.01 0.26 -0.53 0.00 -3.45 0.00 0.00 179.45 175.74 2oqp h ALA 54 N 1.46 -0.53 -4.31 5.00 0.00 -1.46 -3.47 119.26 115.96 2oqp h ALA 54 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2oqp h ALA 54 Cb 0.46 1.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 2oqp h ALA 54 CO -0.35 -0.90 -0.91 0.94 0.00 0.00 0.00 179.25 178.03 2oqp n GLN 55 N -5.06 -2.76 -2.47 0.00 7.27 -0.76 -4.91 117.38 108.69 2oqp n GLN 55 Ca 0.01 2.28 -0.35 0.00 0.07 0.00 0.00 57.00 59.01 2oqp n GLN 55 Cb 0.25 -3.70 -0.03 0.00 2.41 0.00 0.00 30.24 29.17 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 -0.63 3.91 0.03 1.69 1.98 -1.26 -5.06 118.68 119.34 2oqp s LEU 56 Ca -0.13 2.03 -0.01 0.00 -2.89 0.00 0.00 54.13 53.13 2oqp s LEU 56 Cb 0.01 -4.45 -0.02 0.00 0.66 0.00 0.00 46.19 42.39 2oqp s LEU 56 CO 0.51 -0.80 -0.01 -0.75 -1.89 0.00 0.00 176.35 173.42 2oqp s LYS 57 N -3.03 0.43 0.27 1.98 2.47 -1.26 -4.97 119.74 115.63 2oqp s LYS 57 Ca 0.66 -0.77 -0.05 0.00 -1.56 0.00 0.00 55.97 54.25 2oqp s LYS 57 Cb -0.20 0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.27 2oqp s LYS 57 CO 0.24 -0.08 0.54 0.45 0.16 0.00 0.00 175.35 176.66 2oqp s SER 58 N -1.90 6.45 0.46 1.43 0.15 -1.26 -1.37 113.70 117.67 2oqp s SER 58 Ca -0.09 0.70 0.40 0.00 0.70 0.00 0.00 55.95 57.67 2oqp s SER 58 Cb -0.04 -2.14 1.47 0.00 -1.71 0.00 0.00 66.02 63.60 2oqp s SER 58 CO -0.04 -0.17 1.38 0.00 1.20 0.00 0.00 173.24 175.61 2oqp n ALA 59 N -0.83 1.55 -2.37 5.45 0.00 -1.20 -4.25 120.51 118.87 2oqp n ALA 59 Ca -0.02 0.63 -0.02 0.00 0.00 0.00 0.00 53.44 54.03 2oqp n ALA 59 Cb 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2oqp n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2oqp n ASN 60 N -3.90 -2.06 0.00 0.00 2.85 -1.26 -4.73 115.26 106.16 2oqp n ASN 60 Ca 0.38 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 2oqp n ASN 60 Cb 1.68 -0.99 0.00 0.00 1.24 0.00 0.00 39.78 41.71 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 -3.31 0.00 0.00 -0.44 5.66 -1.26 -5.06 114.28 109.87 2oqp n THR 61 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2oqp n THR 61 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2oqp n GLY 62 N -0.40 -0.76 0.89 1.09 0.00 -1.26 -4.95 105.19 99.79 2oqp n GLY 62 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2oqp n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oqp n ASN 63 N -0.20 -1.07 -3.04 1.61 3.02 -1.26 -4.98 115.26 109.34 2oqp n ASN 63 Ca 0.00 0.40 -0.23 0.00 -0.03 0.00 0.00 54.58 54.72 2oqp n ASN 63 Cb 0.00 1.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oqp n ASN 64 N -2.66 5.35 -0.03 6.41 3.02 -1.26 -4.33 115.26 121.77 2oqp n ASN 64 Ca 0.00 -2.33 -0.02 0.00 -0.03 0.00 0.00 54.58 52.20 2oqp n ASN 64 Cb 0.00 -1.15 -0.01 0.00 -0.61 0.00 0.00 39.78 38.02 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 5.74 0.00 -0.56 3.52 4.22 -1.94 -3.28 114.58 122.28 2oqp h GLU 65 Ca 0.50 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.98 2oqp h GLU 65 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2oqp h GLU 65 CO 1.33 0.00 0.31 -0.09 -2.18 0.00 0.00 179.01 178.38 2oqp h ARG 66 N -0.50 0.58 0.00 1.92 9.65 -1.99 0.26 114.38 124.30 2oqp h ARG 66 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2oqp h ARG 66 Cb 0.18 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2oqp h ARG 66 CO 0.00 0.39 0.11 0.97 2.80 0.00 0.00 179.97 184.24 2oqp h ILE 67 N 0.60 0.00 0.14 1.20 6.09 -1.86 0.12 117.51 123.80 2oqp h ILE 67 Ca 0.24 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 63.39 2oqp h ILE 67 Cb 0.11 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.13 2oqp h ILE 67 CO -0.14 0.00 -1.77 0.40 -3.07 0.00 0.00 178.15 173.57 2oqp h ILE 68 N 0.00 0.83 -0.18 2.19 5.03 -0.61 -3.31 117.51 121.46 2oqp h ILE 68 Ca 0.00 -2.41 0.05 0.00 -0.12 0.00 0.00 64.86 62.38 2oqp h ILE 68 Cb 0.22 2.64 -0.01 0.00 -3.03 0.00 0.00 36.82 36.64 2oqp h ILE 68 CO 0.00 0.83 0.22 -1.13 -0.68 0.00 0.00 178.15 177.39 2oqp h ASN 69 N -0.02 0.00 -0.08 1.72 -1.24 0.52 0.41 115.58 116.88 2oqp h ASN 69 Ca -0.37 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.54 2oqp h ASN 69 Cb 1.98 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.02 2oqp h ASN 69 CO 0.11 0.00 -0.27 -0.37 -1.29 0.00 0.00 177.43 175.61 2oqp h VAL 70 N 0.00 1.27 0.00 2.57 -1.51 -1.49 -1.49 116.25 115.60 2oqp h VAL 70 Ca 0.09 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 2oqp h VAL 70 Cb 0.52 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2oqp h VAL 70 CO -0.00 0.42 0.00 -1.20 -1.23 0.00 0.00 177.57 175.56 2oqp n SER 71 N -4.11 0.26 -0.03 4.19 7.64 0.14 -2.75 113.62 118.96 2oqp n SER 71 Ca -0.00 0.55 -0.15 0.00 1.01 0.00 0.00 58.87 60.28 2oqp n SER 71 Cb 0.42 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 2oqp n SER 71 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2oqp h ILE 72 N 0.00 1.47 -0.01 0.44 1.08 -1.09 -0.28 117.51 119.12 2oqp h ILE 72 Ca 0.00 -1.75 0.01 0.00 -0.39 0.00 0.00 64.86 62.74 2oqp h ILE 72 Cb 0.36 2.49 -0.04 0.00 -3.07 0.00 0.00 36.82 36.56 2oqp h ILE 72 CO 0.00 0.49 -0.35 0.11 -0.69 0.00 0.00 178.15 177.71 2oqp h LYS 73 N -0.34 -0.42 0.04 2.37 1.79 -1.50 0.19 116.57 118.71 2oqp h LYS 73 Ca -0.02 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2oqp h LYS 73 Cb 0.92 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2oqp h LYS 73 CO 0.05 -0.28 -0.17 -0.22 -1.08 0.00 0.00 179.45 177.75 2oqp h LYS 74 N -0.43 -0.29 -1.00 3.15 1.63 -1.67 -1.64 116.57 116.32 2oqp h LYS 74 Ca 0.01 0.02 0.28 0.00 -0.85 0.00 0.00 60.65 60.10 2oqp h LYS 74 Cb 0.47 0.07 -0.19 0.00 -0.60 0.00 0.00 32.23 31.98 2oqp h LYS 74 CO -0.24 -0.19 0.03 1.25 -3.45 0.00 0.00 179.45 176.85 2oqp h LEU 75 N -0.30 -0.49 -4.85 5.20 5.85 -0.52 0.16 115.31 120.36 2oqp h LEU 75 Ca 0.04 0.28 -0.48 0.00 0.84 0.00 0.00 57.88 58.57 2oqp h LEU 75 Cb 0.34 0.49 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2oqp h LEU 75 CO -0.13 -0.37 2.50 0.29 -0.34 0.00 0.00 178.44 180.40 2oqp n LYS 76 N -5.50 2.86 -2.99 1.25 5.02 0.63 -4.87 118.16 114.57 2oqp n LYS 76 Ca 0.24 -1.70 -0.25 0.00 -2.02 0.00 0.00 58.31 54.58 2oqp n LYS 76 Cb 0.78 -2.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2oqp n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2oqp s ARG 77 N 2.16 3.47 -0.05 1.97 0.52 0.55 -4.98 118.95 122.60 2oqp s ARG 77 Ca 0.61 -0.09 -0.19 0.00 -0.52 0.00 0.00 55.73 55.54 2oqp s ARG 77 Cb 0.19 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 2oqp s ARG 77 CO -0.04 -0.06 0.52 0.21 0.02 0.00 0.00 175.30 175.96 2oqp s LYS 78 N -4.54 4.26 -0.33 3.54 2.20 -1.26 -5.00 119.74 118.60 2oqp s LYS 78 Ca 0.44 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 2oqp s LYS 78 Cb -0.10 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2oqp s LYS 78 CO 0.40 0.34 1.37 -1.25 -0.36 0.00 0.00 175.35 175.85 2oqp s PRO 79 N -0.03 3.78 0.54 4.03 0.04 -1.26 -5.01 135.00 137.09 2oqp s PRO 79 Ca 0.28 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 2oqp s PRO 79 Cb -0.17 -3.94 0.13 0.00 0.04 0.00 0.00 34.50 30.56 2oqp s PRO 79 CO 0.14 -1.29 0.60 -0.35 0.04 0.00 0.00 177.00 176.13 2oqp n PRO 80 N 7.61 -1.32 0.00 0.56 -0.04 -1.26 -1.25 135.00 139.30 2oqp n PRO 80 Ca 0.16 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2oqp n PRO 80 Cb 0.47 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 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 -3.66 0.00 -3.10 3.54 2.88 -1.26 -3.40 113.62 108.62 2oqp n SER 81 Ca 0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.41 2oqp n SER 81 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 -0.56 -0.36 2.46 5.66 -1.26 -4.98 114.28 115.24 2oqp n THR 82 Ca 0.00 -3.47 0.05 0.00 -3.05 0.00 0.00 64.05 57.58 2oqp n THR 82 Cb 0.00 -1.23 0.13 0.00 -1.55 0.00 0.00 70.33 67.68 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 4.02 -0.99 0.00 1.09 -1.07 -1.19 -3.40 115.58 114.04 2oqp h ASN 83 Ca 0.03 0.30 0.00 0.00 0.07 0.00 0.00 56.30 56.70 2oqp h ASN 83 Cb 0.91 0.64 0.00 0.00 -2.07 0.00 0.00 38.32 37.80 2oqp h ASN 83 CO 0.43 -0.32 0.00 0.00 0.07 0.00 0.00 177.43 177.61 2oqp n ALA 84 N -3.60 0.00 -0.43 4.14 0.00 -1.26 -4.82 120.51 114.54 2oqp n ALA 84 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2oqp n ALA 84 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 2.33 0.50 0.00 0.00 -1.26 -3.18 105.19 103.57 2oqp n GLY 85 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 14.00 0.00 -0.11 1.61 0.00 -1.26 -4.91 116.66 125.99 2oqp n ARG 86 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 2oqp n ARG 86 Cb 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 32.46 32.15 2oqp n ARG 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2oqp n ARG 87 N -2.49 0.55 -3.98 -0.14 0.63 -1.26 -4.88 116.66 105.09 2oqp n ARG 87 Ca 0.00 0.25 -0.31 0.00 -0.92 0.00 0.00 57.85 56.87 2oqp n ARG 87 Cb 0.00 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 31.29 2oqp n ARG 87 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2oqp s GLN 88 N -2.71 1.40 0.05 -0.14 0.74 -1.26 -5.08 119.66 112.65 2oqp s GLN 88 Ca -0.33 -1.76 -0.38 0.00 0.05 0.00 0.00 55.36 52.94 2oqp s GLN 88 Cb 0.09 -3.05 -0.19 0.00 1.10 0.00 0.00 33.01 30.96 2oqp s GLN 88 CO 0.45 -0.94 1.03 0.36 -0.55 0.00 0.00 175.29 175.64 2oqp n LYS 89 N 4.33 0.19 -1.18 1.67 0.00 -1.19 -4.81 118.16 117.17 2oqp n LYS 89 Ca 0.03 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2oqp n LYS 89 Cb 0.42 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 33.94 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2oqp n HIS 90 N 1.40 -2.12 -1.05 5.58 -0.00 -1.26 -4.58 115.22 113.19 2oqp n HIS 90 Ca 0.19 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.36 2oqp n HIS 90 Cb 0.12 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.99 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2oqp n ARG 91 N -0.71 -1.51 0.00 1.57 1.74 -1.26 -4.85 116.66 111.64 2oqp n ARG 91 Ca 0.00 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2oqp n ARG 91 Cb 0.00 -4.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 2oqp n ARG 91 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2oqp n LEU 92 N -0.19 0.00 -2.41 0.55 -0.00 -1.26 -4.99 117.00 108.70 2oqp n LEU 92 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.72 2oqp n LEU 92 Cb 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.83 2oqp n LEU 92 CO 0.02 0.00 0.34 0.35 -0.00 0.00 0.00 177.39 178.10 2oqp n THR 93 N -0.15 2.54 -2.16 1.47 -2.24 -1.26 -4.88 114.28 107.60 2oqp n THR 93 Ca 0.00 -4.67 -0.38 0.00 -2.27 0.00 0.00 64.05 56.73 2oqp n THR 93 Cb 0.00 -1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 66.99 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oqp n PRO 95 N -0.38 0.00 -3.78 0.00 -0.04 -1.26 -5.08 135.00 124.46 2oqp n PRO 95 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2oqp n PRO 95 Cb 0.47 -0.14 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 2oqp n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2oqp s SER 96 N -1.25 -0.27 -0.94 3.54 1.04 -1.26 -5.06 113.70 109.50 2oqp s SER 96 Ca 0.00 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 2oqp s SER 96 Cb 0.00 0.64 0.33 0.00 0.10 0.00 0.00 66.02 67.09 2oqp s SER 96 CO 0.00 -1.17 1.70 0.00 0.98 0.00 0.00 173.24 174.75 2oqp n ASP 98 N -0.13 0.88 -0.49 0.00 -0.08 -1.26 -4.74 116.55 110.74 2oqp n ASP 98 Ca 0.45 0.00 0.41 0.00 -1.51 0.00 0.00 54.79 54.14 2oqp n ASP 98 Cb 0.28 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.48 2oqp n ASP 98 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2oqp h SER 99 N 0.00 0.08 -1.71 1.67 0.87 -2.03 -3.39 113.55 109.05 2oqp h SER 99 Ca 0.00 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2oqp h SER 99 Cb 0.59 0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2oqp h SER 99 CO 0.00 -0.03 0.01 -1.22 -0.53 0.00 0.00 176.83 175.06 2oqp n TYR 100 N -4.23 -3.05 -4.46 2.24 4.01 -1.26 -5.06 117.16 105.35 2oqp n TYR 100 Ca 0.35 -0.13 -0.31 0.00 -0.16 0.00 0.00 57.90 57.65 2oqp n TYR 100 Cb 1.54 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 40.32 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 -3.32 2.30 1.21 -0.72 2.12 -1.26 -5.05 118.70 113.98 2oqp s GLU 101 Ca 0.09 -0.88 -0.14 0.00 0.36 0.00 0.00 54.97 54.40 2oqp s GLU 101 Cb -0.01 -2.35 0.31 0.00 0.26 0.00 0.00 34.13 32.33 2oqp s GLU 101 CO 0.07 0.56 1.01 0.15 -0.54 0.00 0.00 175.26 176.51 2oqp s LYS 102 N -1.64 -1.31 0.26 4.30 3.01 -1.26 -4.11 119.74 118.99 2oqp s LYS 102 Ca 0.18 0.74 -0.16 0.00 -1.01 0.00 0.00 55.97 55.72 2oqp s LYS 102 Cb -0.11 -1.51 0.00 0.00 -1.01 0.00 0.00 37.83 35.20 2oqp s LYS 102 CO 0.09 -3.96 0.56 0.15 0.51 0.00 0.00 175.35 172.70 2oqp s LYS 103 N -4.49 1.64 1.00 1.68 1.02 0.26 -4.80 119.74 116.04 2oqp s LYS 103 Ca 0.69 -1.16 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 2oqp s LYS 103 Cb -0.24 0.52 0.19 0.00 -0.52 0.00 0.00 37.83 37.78 2oqp s LYS 103 CO 0.65 -0.71 1.18 -1.25 -0.92 0.00 0.00 175.35 174.30 2oqp s PRO 104 N -3.97 0.40 0.28 -1.68 0.04 -1.26 -2.36 135.00 126.44 2oqp s PRO 104 Ca 0.19 0.01 0.13 0.00 0.04 0.00 0.00 61.00 61.37 2oqp s PRO 104 Cb -0.03 -1.78 0.30 0.00 0.04 0.00 0.00 34.50 33.04 2oqp s PRO 104 CO 0.08 -2.64 1.56 -1.00 0.04 0.00 0.00 177.00 175.04 2oqp h PRO 105 N -1.81 0.00 0.94 0.56 0.13 -1.83 -0.61 132.00 129.37 2oqp h PRO 105 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2oqp h PRO 105 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2oqp h PRO 105 CO 0.49 0.60 -0.45 -0.22 -0.23 0.00 0.00 178.00 178.18 2oqp h LYS 106 N 0.00 -1.21 -0.18 0.86 3.64 -1.95 -1.26 116.57 116.46 2oqp h LYS 106 Ca -0.01 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2oqp h LYS 106 Cb 1.21 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 2oqp h LYS 106 CO 0.08 -0.81 -0.01 0.93 -2.27 0.00 0.00 179.45 177.37 2oqp h GLU 107 N -1.32 0.33 -0.97 1.90 5.08 -1.96 0.11 114.58 117.76 2oqp h GLU 107 Ca -0.13 -0.11 0.28 0.00 -1.00 0.00 0.00 59.36 58.40 2oqp h GLU 107 Cb 0.97 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.05 2oqp h GLU 107 CO 0.21 0.55 0.48 0.35 -1.00 0.00 0.00 179.01 179.60 2oqp h PHE 108 N 0.07 0.79 0.07 4.33 3.57 -1.11 1.60 116.94 126.26 2oqp h PHE 108 Ca 0.05 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2oqp h PHE 108 Cb 0.41 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.96 2oqp h PHE 108 CO 0.04 -0.14 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.41 2oqp h LEU 109 N 0.34 0.23 -2.54 0.59 -0.00 -1.04 -1.39 115.31 111.50 2oqp h LEU 109 Ca 0.66 -0.95 0.01 0.00 -0.00 0.00 0.00 57.88 57.61 2oqp h LEU 109 Cb 1.42 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2oqp h LEU 109 CO -0.59 1.23 0.10 -0.08 -0.00 0.00 0.00 178.44 179.10 2oqp h GLU 110 N -0.68 0.00 0.02 1.13 4.81 0.13 0.14 114.58 120.14 2oqp h GLU 110 Ca -0.10 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.91 2oqp h GLU 110 Cb 1.35 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 2oqp h GLU 110 CO 0.06 0.00 -1.24 -0.09 -0.73 0.00 0.00 179.01 177.01 2oqp h ARG 111 N 0.00 0.04 0.02 1.92 9.65 0.22 -3.25 114.38 122.97 2oqp h ARG 111 Ca 0.02 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2oqp h ARG 111 Cb 0.23 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 2oqp h ARG 111 CO -0.00 1.03 -0.25 0.35 2.80 0.00 0.00 179.97 183.90 2oqp h PHE 112 N -0.87 -0.66 -0.23 2.20 3.57 -0.55 0.47 116.94 120.87 2oqp h PHE 112 Ca -0.33 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.25 2oqp h PHE 112 Cb 1.37 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 40.34 2oqp h PHE 112 CO 0.11 -0.34 -0.23 -0.22 -2.23 0.00 0.00 178.31 175.40 2oqp h LYS 113 N -0.40 -0.23 0.34 1.11 3.64 -1.19 -0.82 116.57 119.03 2oqp h LYS 113 Ca 0.06 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2oqp h LYS 113 Cb 0.47 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2oqp h LYS 113 CO -0.21 -0.15 -0.29 0.77 -2.27 0.00 0.00 179.45 177.30 2oqp h SER 114 N -0.24 -0.78 -0.81 4.20 0.02 -1.47 -1.20 113.55 113.27 2oqp h SER 114 Ca 0.13 0.06 0.27 0.00 -0.84 0.00 0.00 61.79 61.41 2oqp h SER 114 Cb 0.44 0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.08 2oqp h SER 114 CO -0.37 -0.40 0.20 -0.11 -1.14 0.00 0.00 176.83 175.01 2oqp n LEU 115 N -4.14 0.07 0.47 5.07 -0.00 0.16 0.28 117.00 118.91 2oqp n LEU 115 Ca -0.07 1.36 -0.18 0.00 -0.00 0.00 0.00 56.01 57.11 2oqp n LEU 115 Cb 0.27 -0.57 -0.09 0.00 -0.00 0.00 0.00 43.42 43.04 2oqp n LEU 115 CO 0.17 -1.44 0.53 -0.07 -0.00 0.00 0.00 177.39 176.57 2oqp h LEU 116 N 0.00 -1.02 0.00 -1.96 3.38 -0.38 -0.39 115.31 114.94 2oqp h LEU 116 Ca 0.58 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.58 2oqp h LEU 116 Cb 1.36 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2oqp h LEU 116 CO -0.70 -0.72 0.00 0.00 0.09 0.00 0.00 178.44 177.11 2oqp n GLN 117 N -5.28 0.36 0.00 1.13 10.64 0.31 0.42 117.38 124.96 2oqp n GLN 117 Ca -0.15 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2oqp n GLN 117 Cb 0.47 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2oqp n LYS 118 N -1.15 0.00 -0.07 2.61 4.81 0.80 -4.45 118.16 120.72 2oqp n LYS 118 Ca 0.10 0.27 -0.05 0.00 -0.87 0.00 0.00 58.31 57.75 2oqp n LYS 118 Cb 0.09 -0.73 -0.02 0.00 0.02 0.00 0.00 35.03 34.39 2oqp n LYS 118 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2oqp n MET 119 N -1.63 0.40 -0.28 1.64 1.56 -0.24 -3.73 117.12 114.84 2oqp n MET 119 Ca 0.00 0.34 0.26 0.00 -0.27 0.00 0.00 57.70 58.02 2oqp n MET 119 Cb 0.00 -1.40 0.48 0.00 2.15 0.00 0.00 33.22 34.44 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 -4.16 -0.37 0.00 1.12 -0.00 -0.81 0.80 119.36 115.95 2oqp n ILE 120 Ca -0.09 1.80 0.00 0.00 -0.00 0.00 0.00 62.75 64.46 2oqp n ILE 120 Cb 0.32 -2.87 0.00 0.00 -0.00 0.00 0.00 39.64 37.08 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 -5.02 0.00 -0.43 1.39 8.25 0.17 -2.92 115.22 116.65 2oqp n HIS 121 Ca 0.31 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 58.12 2oqp n HIS 121 Cb 1.06 -0.36 0.64 0.00 1.12 0.00 0.00 29.99 32.45 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2oqp h GLN 122 N 0.00 0.13 -0.64 -0.41 3.07 -1.00 1.68 115.11 117.94 2oqp h GLN 122 Ca 0.00 -0.01 0.18 0.00 0.09 0.00 0.00 58.65 58.92 2oqp h GLN 122 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.51 2oqp h GLN 122 CO 0.00 0.08 0.67 1.25 0.09 0.00 0.00 178.83 180.92 2oqp h HIS 123 N 0.13 0.00 0.16 0.06 2.76 0.52 1.35 115.15 120.14 2oqp h HIS 123 Ca 0.77 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.65 2oqp h HIS 123 Cb 2.43 0.00 0.02 0.00 1.55 0.00 0.00 27.41 31.41 2oqp h HIS 123 CO -0.00 0.00 -1.30 1.37 -1.30 0.00 0.00 177.93 176.69 2oqp h LEU 124 N 0.00 0.56 0.00 0.26 8.10 0.25 -3.46 115.31 121.02 2oqp h LEU 124 Ca 0.30 -0.59 -0.25 0.00 0.11 0.00 0.00 57.88 57.45 2oqp h LEU 124 Cb 1.64 -0.18 0.04 0.00 -0.44 0.00 0.00 40.66 41.72 2oqp h LEU 124 CO -0.00 1.46 0.05 -1.54 -4.11 0.00 0.00 178.44 174.30 2oqp n SER 125 N -3.60 0.78 -3.57 0.17 3.41 0.46 -5.08 113.62 106.20 2oqp n SER 125 Ca -0.11 -1.64 -0.28 0.00 -0.26 0.00 0.00 58.87 56.58 2oqp n SER 125 Cb 1.04 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 2oqp n SER 125 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oqp s SER 126 N -3.18 2.66 -0.23 4.04 0.15 -1.26 -4.91 113.70 110.97 2oqp s SER 126 Ca 0.36 -3.20 -0.27 0.00 0.70 0.00 0.00 55.95 53.53 2oqp s SER 126 Cb -0.02 -0.83 0.13 0.00 -1.71 0.00 0.00 66.02 63.60 2oqp s SER 126 CO 0.24 -0.16 1.07 -0.60 1.20 0.00 0.00 173.24 174.99 2oqp s ARG 127 N -0.29 0.48 -0.01 5.44 3.00 -1.26 -5.16 118.95 121.14 2oqp s ARG 127 Ca 0.28 0.34 -0.07 0.00 -1.00 0.00 0.00 55.73 55.29 2oqp s ARG 127 Cb -0.02 0.23 -0.05 0.00 0.00 0.00 0.00 34.95 35.11 2oqp s ARG 127 CO -0.16 -0.10 0.25 -0.08 0.00 0.00 0.00 175.30 175.21 2oqp s THR 128 N -0.38 5.33 0.03 4.11 -1.32 -1.26 -5.00 115.64 117.14 2oqp s THR 128 Ca 0.02 0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 2oqp s THR 128 Cb -0.03 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.39 2oqp s THR 128 CO -0.04 0.40 -0.04 -1.00 -2.21 0.00 0.00 174.62 171.72 2oqp s HIS 129 N -1.26 0.38 0.04 9.09 3.76 -1.26 -5.11 115.29 120.94 2oqp s HIS 129 Ca 0.26 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2oqp s HIS 129 Cb -0.13 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2oqp s HIS 129 CO 0.15 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 2oqp n GLY 130 N 1.60 -2.52 3.60 -2.22 0.00 -1.26 -5.09 105.19 99.31 2oqp n GLY 130 Ca -0.23 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.45 -0.31 0.53 1.61 0.15 -1.26 -5.15 113.70 104.81 2oqp s SER 131 Ca 0.00 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 2oqp s SER 131 Cb 0.00 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.88 2oqp s SER 131 CO 0.00 -1.13 1.18 -1.61 1.20 0.00 0.00 173.24 172.88 2oqp s GLU 132 N -3.87 3.38 0.00 5.44 2.02 -1.26 -4.72 118.70 119.69 2oqp s GLU 132 Ca 0.09 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.84 2oqp s GLU 132 Cb -0.02 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2oqp s GLU 132 CO -0.01 -0.86 0.00 -3.47 0.02 0.00 0.00 175.26 170.93 2oqp n ASP 133 N -1.09 0.00 0.00 -0.19 2.03 -1.26 -5.34 116.55 110.70 2oqp n ASP 133 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2oqp n ASP 133 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2oqp n ASP 133 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04