#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 4.10 0.00 2.12 -2.07 -1.26 -4.51 119.66 118.03 2oqp s GLN 2 Ca 0.00 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 2oqp s GLN 2 Cb 0.00 -3.64 0.00 0.00 -1.09 0.00 0.00 33.01 28.28 2oqp s GLN 2 CO 0.00 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 2oqp n GLY 3 N 4.25 1.49 3.15 2.60 0.00 -1.26 -5.14 105.19 110.28 2oqp n GLY 3 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2oqp n GLY 3 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oqp s GLN 4 N 3.00 1.09 -0.04 1.61 0.74 -1.26 -5.06 119.66 119.74 2oqp s GLN 4 Ca 0.00 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 2oqp s GLN 4 Cb 0.00 -1.10 0.11 0.00 1.10 0.00 0.00 33.01 33.12 2oqp s GLN 4 CO 0.00 0.28 0.93 0.34 -0.55 0.00 0.00 175.29 176.30 2oqp s ASP 5 N -0.87 -0.35 0.19 6.67 -1.08 -1.26 -4.87 116.67 115.10 2oqp s ASP 5 Ca 0.04 0.06 0.09 0.00 -0.52 0.00 0.00 52.55 52.22 2oqp s ASP 5 Cb -0.07 0.35 0.02 0.00 -1.46 0.00 0.00 42.92 41.76 2oqp s ASP 5 CO 0.01 -0.55 1.41 0.08 0.52 0.00 0.00 175.17 176.64 2oqp h ARG 6 N 2.08 0.00 0.00 4.34 -0.00 -2.00 -1.81 114.38 116.99 2oqp h ARG 6 Ca -0.20 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.62 2oqp h ARG 6 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.17 2oqp h ARG 6 CO 0.30 0.83 -0.76 0.45 -0.00 0.00 0.00 179.97 180.79 2oqp h HIS 7 N 0.00 0.00 0.02 4.08 3.86 -1.99 -2.31 115.15 118.81 2oqp h HIS 7 Ca -0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 2oqp h HIS 7 Cb 1.50 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.98 2oqp h HIS 7 CO 0.00 0.76 -0.38 1.98 0.86 0.00 0.00 177.93 181.15 2oqp h MET 8 N 0.00 0.22 -0.23 2.45 4.05 -1.94 -3.25 114.93 116.23 2oqp h MET 8 Ca -0.01 -0.27 -0.04 0.00 -0.28 0.00 0.00 59.70 59.11 2oqp h MET 8 Cb 1.45 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 2oqp h MET 8 CO 0.10 1.02 -0.01 -0.84 0.23 0.00 0.00 176.91 177.40 2oqp h ILE 9 N -0.45 1.15 -0.98 1.77 -0.00 -1.39 0.47 117.51 118.07 2oqp h ILE 9 Ca -0.05 -0.61 0.17 0.00 -0.00 0.00 0.00 64.86 64.37 2oqp h ILE 9 Cb 1.17 0.99 -0.09 0.00 -0.00 0.00 0.00 36.82 38.89 2oqp h ILE 9 CO 0.07 0.20 0.61 -0.09 -0.00 0.00 0.00 178.15 178.95 2oqp h ARG 10 N 0.34 0.75 0.06 0.16 2.43 -1.44 0.35 114.38 117.02 2oqp h ARG 10 Ca 0.08 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.83 2oqp h ARG 10 Cb 0.25 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2oqp h ARG 10 CO 0.01 0.49 -2.18 0.00 -1.51 0.00 0.00 179.97 176.79 2oqp n MET 11 N -4.67 0.71 -0.08 0.20 0.00 -0.74 -3.70 117.12 108.83 2oqp n MET 11 Ca 0.21 0.21 -0.06 0.00 0.00 0.00 0.00 57.70 58.05 2oqp n MET 11 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.11 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 0.04 0.09 -0.36 3.17 2.43 0.36 -1.82 114.38 118.28 2oqp h ARG 12 Ca -0.48 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2oqp h ARG 12 Cb 2.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.51 2oqp h ARG 12 CO 0.02 0.06 0.21 1.96 -1.51 0.00 0.00 179.97 180.71 2oqp h GLN 13 N 0.09 0.49 -0.51 0.20 1.08 -0.52 0.35 115.11 116.29 2oqp h GLN 13 Ca 0.15 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.38 2oqp h GLN 13 Cb 0.20 -0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.43 2oqp h GLN 13 CO -0.25 0.38 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.51 2oqp h LEU 14 N 0.46 -1.46 -1.23 1.46 -0.00 -1.46 1.81 115.31 114.90 2oqp h LEU 14 Ca 0.13 0.23 -0.07 0.00 -0.00 0.00 0.00 57.88 58.17 2oqp h LEU 14 Cb 0.02 0.65 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 2oqp h LEU 14 CO -0.02 -0.35 -0.32 0.40 -0.00 0.00 0.00 178.44 178.15 2oqp h ILE 15 N -0.26 0.92 0.32 1.22 5.03 -1.13 -1.86 117.51 121.75 2oqp h ILE 15 Ca 0.16 -1.25 -0.02 0.00 -0.12 0.00 0.00 64.86 63.64 2oqp h ILE 15 Cb 0.57 1.74 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 2oqp h ILE 15 CO -0.64 0.31 -0.16 -0.78 -0.68 0.00 0.00 178.15 176.21 2oqp h ASP 16 N 0.00 -0.37 -1.00 1.72 3.58 0.46 -1.88 116.42 118.94 2oqp h ASP 16 Ca -0.00 0.01 0.22 0.00 0.42 0.00 0.00 57.03 57.68 2oqp h ASP 16 Cb 0.72 0.10 -0.12 0.00 1.72 0.00 0.00 39.33 41.74 2oqp h ASP 16 CO 0.04 -0.18 0.59 0.16 -2.88 0.00 0.00 179.24 176.98 2oqp h ILE 17 N -0.61 0.61 0.11 2.25 3.07 0.24 0.15 117.51 123.33 2oqp h ILE 17 Ca -0.04 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2oqp h ILE 17 Cb 0.33 -0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 36.77 2oqp h ILE 17 CO 0.07 0.12 -0.20 0.58 -1.05 0.00 0.00 178.15 177.67 2oqp h VAL 18 N 0.66 0.00 -0.27 0.16 2.07 -1.29 1.54 116.25 119.11 2oqp h VAL 18 Ca 0.61 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.21 2oqp h VAL 18 Cb 1.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2oqp h VAL 18 CO -0.44 0.00 0.34 -0.78 0.02 0.00 0.00 177.57 176.71 2oqp h ASP 19 N -0.34 0.00 0.06 0.57 1.82 -0.44 0.95 116.42 119.05 2oqp h ASP 19 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2oqp h ASP 19 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2oqp h ASP 19 CO -0.08 0.00 -0.03 -0.61 -1.61 0.00 0.00 179.24 176.92 2oqp h GLN 20 N 0.00 -0.08 -0.43 0.28 5.75 0.16 -1.55 115.11 119.24 2oqp h GLN 20 Ca 0.13 0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 2oqp h GLN 20 Cb 0.80 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2oqp h GLN 20 CO -0.00 0.52 -0.21 1.25 -2.65 0.00 0.00 178.83 177.73 2oqp h LEU 21 N -0.78 0.88 -0.01 -2.39 7.12 0.38 -2.87 115.31 117.64 2oqp h LEU 21 Ca -0.01 -0.32 0.01 0.00 0.13 0.00 0.00 57.88 57.69 2oqp h LEU 21 Cb 0.63 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2oqp h LEU 21 CO 0.01 1.06 -0.03 0.50 -0.13 0.00 0.00 178.44 179.85 2oqp h LYS 22 N 0.75 -0.05 0.00 1.25 3.64 0.79 0.11 116.57 123.05 2oqp h LYS 22 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2oqp h LYS 22 Cb 0.75 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2oqp h LYS 22 CO 0.06 -0.04 0.17 -0.97 -2.27 0.00 0.00 179.45 176.41 2oqp h ASN 23 N -0.06 0.00 -0.52 4.20 -0.73 -1.14 0.73 115.58 118.07 2oqp h ASN 23 Ca 0.02 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.05 2oqp h ASN 23 Cb 0.08 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.59 2oqp h ASN 23 CO -0.04 0.00 0.12 -1.22 -0.37 0.00 0.00 177.43 175.92 2oqp n TYR 24 N -2.77 1.73 -0.33 0.67 4.01 0.32 -4.60 117.16 116.18 2oqp n TYR 24 Ca -0.02 -1.18 0.35 0.00 -0.16 0.00 0.00 57.90 56.89 2oqp n TYR 24 Cb 0.22 -0.54 0.75 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.09 0.40 -0.24 -0.72 2.07 0.10 1.06 116.25 121.01 2oqp h VAL 25 Ca 0.17 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 2oqp h VAL 25 Cb 1.93 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2oqp h VAL 25 CO 0.51 0.00 0.53 -0.55 0.02 0.00 0.00 177.57 178.08 2oqp h ASN 26 N 0.01 0.00 -1.41 0.57 7.08 -1.82 0.54 115.58 120.55 2oqp h ASN 26 Ca 0.57 0.00 -0.60 0.00 -3.08 0.00 0.00 56.30 53.19 2oqp h ASN 26 Cb 2.27 0.00 -0.41 0.00 -2.08 0.00 0.00 38.32 38.11 2oqp h ASN 26 CO -0.01 0.00 -0.58 0.47 -2.08 0.00 0.00 177.43 175.23 2oqp n ASP 27 N -3.17 5.02 -4.11 6.14 9.92 0.36 -4.83 116.55 125.88 2oqp n ASP 27 Ca 0.04 -3.74 -0.31 0.00 -0.53 0.00 0.00 54.79 50.25 2oqp n ASP 27 Cb 0.64 -0.49 -0.16 0.00 -0.64 0.00 0.00 41.12 40.46 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 -3.60 1.96 -0.22 0.64 1.43 0.19 -2.11 118.68 116.97 2oqp s LEU 28 Ca 0.49 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 2oqp s LEU 28 Cb 0.41 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2oqp s LEU 28 CO -0.16 0.03 0.57 0.54 0.23 0.00 0.00 176.35 177.55 2oqp s VAL 29 N 1.05 5.05 -0.37 -1.59 0.11 -0.33 -4.30 120.40 120.01 2oqp s VAL 29 Ca -0.03 1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.76 2oqp s VAL 29 Cb -0.14 -3.88 0.01 0.00 -1.53 0.00 0.00 36.38 30.83 2oqp s VAL 29 CO -0.05 0.11 1.39 -2.16 -3.33 0.00 0.00 175.10 171.05 2oqp s PRO 30 N 2.04 3.68 0.11 1.54 0.04 -1.26 -4.65 135.00 136.50 2oqp s PRO 30 Ca 0.25 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 2oqp s PRO 30 Cb -0.16 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2oqp s PRO 30 CO 0.09 -1.43 0.11 -1.83 0.04 0.00 0.00 177.00 173.98 2oqp s GLU 31 N 4.71 0.88 -0.75 4.56 -1.05 -1.26 -5.02 118.70 120.77 2oqp s GLU 31 Ca 0.60 -1.24 -0.26 0.00 -0.15 0.00 0.00 54.97 53.93 2oqp s GLU 31 Cb -0.15 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.74 2oqp s GLU 31 CO 0.30 -0.26 2.17 -0.06 0.95 0.00 0.00 175.26 178.36 2oqp s PHE 32 N -3.96 1.43 -0.21 4.83 0.08 -1.26 -4.35 117.98 114.54 2oqp s PHE 32 Ca 0.15 1.28 -0.08 0.00 0.12 0.00 0.00 56.93 58.39 2oqp s PHE 32 Cb 0.06 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 2oqp s PHE 32 CO -0.04 -1.91 0.09 -1.17 -0.10 0.00 0.00 175.22 172.09 2oqp s LEU 33 N 11.88 3.86 -0.07 -0.37 2.96 -0.08 -4.80 118.68 132.06 2oqp s LEU 33 Ca 0.82 0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.48 2oqp s LEU 33 Cb -0.11 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2oqp s LEU 33 CO 0.10 0.12 1.23 -2.16 -1.32 0.00 0.00 176.35 174.31 2oqp s PRO 34 N 0.73 4.32 -0.04 0.98 0.04 -1.26 0.39 135.00 140.16 2oqp s PRO 34 Ca 0.05 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 2oqp s PRO 34 Cb -0.13 -3.60 0.03 0.00 0.04 0.00 0.00 34.50 30.84 2oqp s PRO 34 CO 0.02 -0.50 0.01 0.00 0.04 0.00 0.00 177.00 176.57 2oqp s ALA 35 N 2.47 0.42 -0.12 8.56 0.00 -1.26 -4.31 121.76 127.51 2oqp s ALA 35 Ca 0.56 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 2oqp s ALA 35 Cb -0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2oqp s ALA 35 CO 0.21 -0.27 1.25 -1.25 0.00 0.00 0.00 175.76 175.70 2oqp s PRO 36 N 1.54 4.28 -0.22 0.00 0.04 -1.26 -4.77 135.00 134.60 2oqp s PRO 36 Ca -0.02 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 2oqp s PRO 36 Cb -0.13 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 2oqp s PRO 36 CO -0.03 -0.61 0.18 -2.00 0.04 0.00 0.00 177.00 174.57 2oqp s GLU 37 N 3.01 4.12 -0.11 4.56 2.12 -1.26 -4.76 118.70 126.38 2oqp s GLU 37 Ca 0.56 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.61 2oqp s GLU 37 Cb -0.23 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.69 2oqp s GLU 37 CO 0.18 0.13 0.16 -0.25 -0.54 0.00 0.00 175.26 174.94 2oqp n ASP 38 N 4.05 -3.05 -4.50 -1.70 9.92 -1.26 -5.01 116.55 114.99 2oqp n ASP 38 Ca -0.15 1.29 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 2oqp n ASP 38 Cb 0.52 -4.15 -0.11 0.00 -0.64 0.00 0.00 41.12 36.74 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2oqp s VAL 39 N -0.46 2.88 1.06 2.53 -7.23 -1.26 -5.04 120.40 112.88 2oqp s VAL 39 Ca -0.18 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 2oqp s VAL 39 Cb 0.01 -2.35 0.13 0.00 0.56 0.00 0.00 36.38 34.74 2oqp s VAL 39 CO 0.49 0.05 0.51 1.21 -0.31 0.00 0.00 175.10 177.04 2oqp n GLU 40 N 0.62 -1.27 -0.12 4.82 2.13 -1.26 -4.75 120.64 120.81 2oqp n GLU 40 Ca -0.14 -0.34 -0.05 0.00 0.66 0.00 0.00 57.16 57.29 2oqp n GLU 40 Cb 0.53 -1.95 0.02 0.00 0.27 0.00 0.00 31.44 30.31 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 -2.05 0.54 -1.10 6.31 2.02 -2.04 -0.59 112.91 116.01 2oqp h THR 41 Ca -0.51 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.00 2oqp h THR 41 Cb 1.32 0.54 -0.32 0.00 -1.74 0.00 0.00 68.15 67.95 2oqp h THR 41 CO 0.40 0.00 0.55 0.59 0.37 0.00 0.00 175.52 177.43 2oqp n ASN 42 N -5.33 7.11 0.00 4.18 4.13 -1.26 -4.08 115.26 120.01 2oqp n ASN 42 Ca 0.02 -3.79 0.00 0.00 1.68 0.00 0.00 54.58 52.50 2oqp n ASN 42 Cb 0.24 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 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 -0.13 0.15 -0.10 0.00 1.02 -1.18 -2.30 120.64 118.09 2oqp n GLU 44 Ca 0.00 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 2oqp n GLU 44 Cb 0.28 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2oqp n GLU 44 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2oqp n TRP 45 N -1.98 0.60 0.23 -0.32 7.02 -1.26 -3.64 117.44 118.09 2oqp n TRP 45 Ca 0.05 0.26 0.18 0.00 -1.02 0.00 0.00 57.50 56.97 2oqp n TRP 45 Cb 0.34 -0.90 0.82 0.00 -2.42 0.00 0.00 31.31 29.14 2oqp n TRP 45 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2oqp h SER 46 N -1.00 0.00 1.54 -0.99 0.87 -1.61 1.36 113.55 113.72 2oqp h SER 46 Ca -0.29 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.20 2oqp h SER 46 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2oqp h SER 46 CO -0.17 0.00 -0.47 0.00 -0.53 0.00 0.00 176.83 175.65 2oqp h ALA 47 N 1.50 0.76 -0.98 6.23 0.00 -1.61 -3.28 119.26 121.88 2oqp h ALA 47 Ca 0.08 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.81 2oqp h ALA 47 Cb 0.75 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 2oqp h ALA 47 CO -0.00 0.42 0.62 0.35 0.00 0.00 0.00 179.25 180.64 2oqp h PHE 48 N 0.00 1.06 -0.69 0.00 3.04 0.18 0.07 116.94 120.61 2oqp h PHE 48 Ca -0.02 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.01 2oqp h PHE 48 Cb 1.26 -0.33 -0.05 0.00 2.56 0.00 0.00 35.95 39.39 2oqp h PHE 48 CO 0.00 0.37 0.41 1.03 -2.02 0.00 0.00 178.31 178.10 2oqp h SER 49 N 0.88 0.65 -0.67 0.41 0.87 -1.61 0.79 113.55 114.87 2oqp h SER 49 Ca 0.51 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2oqp h SER 49 Cb 0.64 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2oqp h SER 49 CO -0.28 0.43 0.44 0.00 -0.53 0.00 0.00 176.83 176.89 2oqp h PHE 51 N 0.88 0.83 0.51 0.00 0.04 -0.51 -1.29 116.94 117.40 2oqp h PHE 51 Ca 0.25 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 2oqp h PHE 51 Cb -0.06 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 37.89 2oqp h PHE 51 CO -0.03 0.88 -0.25 1.96 -0.60 0.00 0.00 178.31 180.27 2oqp h GLN 52 N 0.53 -0.66 -0.74 1.51 1.08 0.11 -2.64 115.11 114.29 2oqp h GLN 52 Ca 0.09 0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.51 2oqp h GLN 52 Cb 0.62 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 2oqp h GLN 52 CO 0.04 -0.37 0.51 -0.22 -0.95 0.00 0.00 178.83 177.84 2oqp h LYS 53 N -0.88 0.24 -0.89 1.46 1.63 0.23 -1.12 116.57 117.23 2oqp h LYS 53 Ca -0.07 -0.01 0.16 0.00 -0.85 0.00 0.00 60.65 59.87 2oqp h LYS 53 Cb 0.60 -0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 32.02 2oqp h LYS 53 CO 0.12 0.16 -0.31 0.00 -3.45 0.00 0.00 179.45 175.96 2oqp h ALA 54 N 1.65 0.31 -3.89 5.00 0.00 -0.84 -3.47 119.26 118.01 2oqp h ALA 54 Ca 0.37 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2oqp h ALA 54 Cb 1.07 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2oqp h ALA 54 CO -0.08 -0.54 -0.76 0.94 0.00 0.00 0.00 179.25 178.81 2oqp n GLN 55 N -5.51 -4.27 -2.91 0.00 7.27 -0.43 -4.85 117.38 106.69 2oqp n GLN 55 Ca 0.11 3.16 -0.39 0.00 0.07 0.00 0.00 57.00 59.95 2oqp n GLN 55 Cb 0.42 -3.60 -0.06 0.00 2.41 0.00 0.00 30.24 29.40 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 -0.44 4.60 -0.06 1.69 1.98 -1.26 -5.05 118.68 120.13 2oqp s LEU 56 Ca 0.00 1.74 0.01 0.00 -2.89 0.00 0.00 54.13 52.99 2oqp s LEU 56 Cb 0.00 -3.42 0.02 0.00 0.66 0.00 0.00 46.19 43.45 2oqp s LEU 56 CO 0.00 0.18 -0.06 -0.75 -1.89 0.00 0.00 176.35 173.83 2oqp s LYS 57 N -1.21 1.06 0.42 1.98 2.47 -1.26 -5.01 119.74 118.19 2oqp s LYS 57 Ca 0.38 -0.16 -0.10 0.00 -1.56 0.00 0.00 55.97 54.53 2oqp s LYS 57 Cb -0.24 -1.05 -0.06 0.00 -1.46 0.00 0.00 37.83 35.02 2oqp s LYS 57 CO 0.28 -0.10 0.78 -1.54 0.16 0.00 0.00 175.35 174.93 2oqp s SER 58 N 1.05 6.49 0.60 1.43 1.04 -1.26 -1.19 113.70 121.87 2oqp s SER 58 Ca -0.09 1.12 0.34 0.00 0.48 0.00 0.00 55.95 57.81 2oqp s SER 58 Cb -0.14 -2.32 1.84 0.00 0.10 0.00 0.00 66.02 65.50 2oqp s SER 58 CO -0.00 -0.43 2.03 0.00 0.98 0.00 0.00 173.24 175.81 2oqp h ALA 59 N 1.10 1.15 -5.80 5.32 0.00 -1.61 -3.39 119.26 116.03 2oqp h ALA 59 Ca -0.47 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 2oqp h ALA 59 Cb 1.19 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.07 2oqp h ALA 59 CO 0.63 -0.15 -0.69 0.09 0.00 0.00 0.00 179.25 179.14 2oqp n ASN 60 N -2.83 -6.36 -0.57 0.00 3.02 -1.26 -4.92 115.26 102.33 2oqp n ASN 60 Ca -0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 2oqp n ASN 60 Cb 0.21 -4.33 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2oqp n THR 61 N -3.12 0.00 -3.46 3.41 5.66 -1.26 -5.10 114.28 110.40 2oqp n THR 61 Ca -0.08 -0.06 -0.05 0.00 -3.05 0.00 0.00 64.05 60.81 2oqp n THR 61 Cb 0.59 0.40 0.01 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.03 1.54 0.15 1.09 0.00 -1.26 -5.04 105.19 101.70 2oqp n GLY 62 Ca -0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2oqp n GLY 62 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2oqp h ASN 63 N 1.07 0.49 -1.52 1.61 -1.24 -2.03 -3.09 115.58 110.87 2oqp h ASN 63 Ca -0.18 -0.39 0.44 0.00 0.71 0.00 0.00 56.30 56.88 2oqp h ASN 63 Cb 0.67 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.51 2oqp h ASN 63 CO 0.23 1.19 1.13 0.78 -1.29 0.00 0.00 177.43 179.46 2oqp h ASN 64 N 0.21 0.00 -1.62 1.15 2.35 -1.98 0.27 115.58 115.96 2oqp h ASN 64 Ca -0.07 0.00 0.50 0.00 -0.55 0.00 0.00 56.30 56.18 2oqp h ASN 64 Cb 1.56 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.83 2oqp h ASN 64 CO 0.16 0.00 1.13 1.21 -1.65 0.00 0.00 177.43 178.28 2oqp n GLU 65 N -4.00 -0.01 -0.01 0.81 0.00 -1.17 0.19 120.64 116.45 2oqp n GLU 65 Ca 0.34 1.07 -0.21 0.00 0.00 0.00 0.00 57.16 58.36 2oqp n GLU 65 Cb 1.60 -2.32 -0.14 0.00 0.00 0.00 0.00 31.44 30.59 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 0.20 0.00 5.31 9.65 -0.73 -3.06 114.38 125.75 2oqp h ARG 66 Ca 0.86 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 59.39 2oqp h ARG 66 Cb 3.18 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 31.89 2oqp h ARG 66 CO -0.18 1.16 0.00 1.51 2.80 0.00 0.00 179.97 185.26 2oqp n ILE 67 N -4.07 1.45 -0.09 1.20 0.13 0.51 -1.98 119.36 116.50 2oqp n ILE 67 Ca -0.23 0.44 -0.18 0.00 -1.10 0.00 0.00 62.75 61.67 2oqp n ILE 67 Cb 0.83 -1.35 -0.11 0.00 -0.84 0.00 0.00 39.64 38.17 2oqp n ILE 67 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2oqp h ILE 68 N 0.00 1.01 -0.98 9.51 5.03 0.36 -3.34 117.51 129.10 2oqp h ILE 68 Ca 0.00 -2.10 0.20 0.00 -0.12 0.00 0.00 64.86 62.84 2oqp h ILE 68 Cb 0.11 2.24 -0.09 0.00 -3.03 0.00 0.00 36.82 36.05 2oqp h ILE 68 CO 0.00 0.34 0.62 -1.13 -0.68 0.00 0.00 178.15 177.30 2oqp h ASN 69 N -1.00 0.66 -0.72 1.72 -1.24 -1.29 0.79 115.58 114.51 2oqp h ASN 69 Ca -0.24 0.08 0.10 0.00 0.71 0.00 0.00 56.30 56.95 2oqp h ASN 69 Cb 1.15 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 40.11 2oqp h ASN 69 CO -0.15 0.24 0.47 -0.37 -1.29 0.00 0.00 177.43 176.33 2oqp h VAL 70 N 0.64 0.92 0.00 2.57 -1.51 -1.59 0.60 116.25 117.88 2oqp h VAL 70 Ca 0.55 -0.20 -0.11 0.00 -1.23 0.00 0.00 66.70 65.71 2oqp h VAL 70 Cb 1.02 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 2oqp h VAL 70 CO -0.31 0.11 -0.68 0.28 -1.23 0.00 0.00 177.57 175.73 2oqp h SER 71 N 0.58 0.00 0.18 4.19 0.02 0.38 -3.23 113.55 115.67 2oqp h SER 71 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2oqp h SER 71 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2oqp h SER 71 CO -0.11 0.47 -0.08 0.40 -1.14 0.00 0.00 176.83 176.36 2oqp h ILE 72 N 0.00 0.71 -1.01 3.27 2.04 0.16 0.73 117.51 123.40 2oqp h ILE 72 Ca -0.04 -1.11 0.29 0.00 1.00 0.00 0.00 64.86 65.01 2oqp h ILE 72 Cb 1.39 1.21 -0.14 0.00 -0.74 0.00 0.00 36.82 38.54 2oqp h ILE 72 CO 0.06 0.19 0.59 0.07 0.00 0.00 0.00 178.15 179.06 2oqp h LYS 73 N -0.92 0.41 0.02 2.37 2.10 -0.10 1.20 116.57 121.65 2oqp h LYS 73 Ca -0.02 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2oqp h LYS 73 Cb 0.49 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2oqp h LYS 73 CO 0.04 0.27 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.53 2oqp h LYS 74 N 0.42 -0.03 -1.15 0.07 3.64 -1.56 -3.26 116.57 114.70 2oqp h LYS 74 Ca 0.70 0.00 0.32 0.00 -1.27 0.00 0.00 60.65 60.40 2oqp h LYS 74 Cb 1.52 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.28 2oqp h LYS 74 CO -0.54 0.54 0.80 1.25 -2.27 0.00 0.00 179.45 179.23 2oqp h LEU 75 N -0.98 0.15 -4.52 5.20 5.85 0.21 -1.40 115.31 119.83 2oqp h LEU 75 Ca -0.00 0.03 -0.42 0.00 0.84 0.00 0.00 57.88 58.33 2oqp h LEU 75 Cb 0.58 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2oqp h LEU 75 CO 0.00 0.02 1.71 0.29 -0.34 0.00 0.00 178.44 180.12 2oqp n LYS 76 N -4.35 2.79 -2.83 1.25 5.02 0.40 -4.86 118.16 115.59 2oqp n LYS 76 Ca 0.26 -1.57 -0.26 0.00 -2.02 0.00 0.00 58.31 54.72 2oqp n LYS 76 Cb 1.14 -2.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.63 3.46 0.10 1.97 1.81 -0.53 -4.97 118.95 122.43 2oqp s ARG 77 Ca 0.67 0.00 -0.02 0.00 -1.72 0.00 0.00 55.73 54.66 2oqp s ARG 77 Cb 0.25 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 2oqp s ARG 77 CO -0.03 -0.15 0.30 0.15 -0.68 0.00 0.00 175.30 174.88 2oqp s LYS 78 N -4.64 3.53 0.98 3.54 -0.14 -1.26 -4.96 119.74 116.78 2oqp s LYS 78 Ca 0.46 -0.27 -0.14 0.00 -1.36 0.00 0.00 55.97 54.66 2oqp s LYS 78 Cb -0.10 -2.94 0.18 0.00 -1.68 0.00 0.00 37.83 33.29 2oqp s LYS 78 CO 0.42 0.53 1.17 -1.25 -0.76 0.00 0.00 175.35 175.47 2oqp s PRO 79 N -2.61 0.58 -0.32 -1.68 0.04 -1.26 -4.96 135.00 124.79 2oqp s PRO 79 Ca 0.38 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 2oqp s PRO 79 Cb -0.13 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2oqp s PRO 79 CO 0.26 -2.53 1.36 -1.25 0.04 0.00 0.00 177.00 174.88 2oqp s PRO 80 N -5.43 3.81 0.00 0.56 0.04 -1.26 -4.37 135.00 128.35 2oqp s PRO 80 Ca 0.67 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2oqp s PRO 80 Cb -0.12 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2oqp s PRO 80 CO 0.54 -1.26 0.00 0.43 0.04 0.00 0.00 177.00 176.75 2oqp n SER 81 N 8.03 0.00 -3.64 6.66 7.64 -1.26 -4.51 113.62 126.53 2oqp n SER 81 Ca 0.16 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.94 2oqp n SER 81 Cb 0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 2oqp n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2oqp s THR 82 N 0.00 0.00 0.19 0.44 -1.32 -1.26 -5.04 115.64 108.64 2oqp s THR 82 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 2oqp s THR 82 Cb 0.00 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.15 2oqp s THR 82 CO 0.00 0.00 1.62 -0.55 -2.21 0.00 0.00 174.62 173.48 2oqp h ASN 83 N 4.83 -0.74 -4.27 8.08 -1.07 -1.88 -3.48 115.58 117.06 2oqp h ASN 83 Ca -0.29 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.27 2oqp h ASN 83 Cb 1.18 0.42 0.00 0.00 -2.07 0.00 0.00 38.32 37.85 2oqp h ASN 83 CO 0.11 -0.24 -0.88 0.00 0.07 0.00 0.00 177.43 176.49 2oqp n ALA 84 N -3.00 -2.12 0.00 4.14 0.00 -1.26 -3.58 120.51 114.68 2oqp n ALA 84 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2oqp n ALA 84 Cb 0.32 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.63 -0.82 0.00 0.00 0.00 -1.26 -4.32 105.19 99.42 2oqp n GLY 85 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.07 1.61 0.63 -1.26 -5.00 116.66 108.57 2oqp n ARG 86 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 2oqp n ARG 86 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 2oqp n ARG 86 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2oqp s ARG 87 N 0.00 0.29 0.44 -0.14 1.81 -1.26 -5.09 118.95 115.00 2oqp s ARG 87 Ca 0.00 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 2oqp s ARG 87 Cb 0.00 -0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.22 2oqp s ARG 87 CO 0.00 0.08 0.00 1.04 -0.68 0.00 0.00 175.30 175.74 2oqp n GLN 88 N 2.99 -3.08 -2.00 3.54 6.02 -1.26 -4.97 117.38 118.62 2oqp n GLN 88 Ca -0.13 2.39 -0.02 0.00 -0.01 0.00 0.00 57.00 59.23 2oqp n GLN 88 Cb 0.59 -2.97 0.01 0.00 1.02 0.00 0.00 30.24 28.88 2oqp n GLN 88 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2oqp n LYS 89 N -2.27 -0.51 -1.21 -1.09 4.81 -1.26 -4.66 118.16 111.96 2oqp n LYS 89 Ca 0.00 0.60 -0.19 0.00 -0.87 0.00 0.00 58.31 57.85 2oqp n LYS 89 Cb 0.35 -2.82 -0.12 0.00 0.02 0.00 0.00 35.03 32.46 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2oqp n HIS 90 N -1.53 0.73 0.72 5.64 -0.00 -1.26 -4.26 115.22 115.25 2oqp n HIS 90 Ca -0.01 -1.75 0.10 0.00 -0.00 0.00 0.00 57.72 56.06 2oqp n HIS 90 Cb 0.51 -1.56 0.28 0.00 -0.00 0.00 0.00 29.99 29.22 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2oqp n ARG 91 N 1.95 2.09 0.00 1.57 1.74 -1.26 -4.91 116.66 117.84 2oqp n ARG 91 Ca 0.47 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2oqp n ARG 91 Cb 0.74 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 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 0.86 0.00 0.00 0.55 -0.00 -1.26 -5.09 117.00 112.06 2oqp n LEU 92 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2oqp n LEU 92 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2oqp n LEU 92 CO 0.13 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.87 2oqp n THR 93 N -0.07 0.00 -1.34 1.47 -2.24 -1.26 -4.97 114.28 105.87 2oqp n THR 93 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2oqp n THR 93 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oqp s PRO 95 N -3.44 2.75 0.62 0.00 0.04 -1.26 -5.02 135.00 128.69 2oqp s PRO 95 Ca 0.00 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 2oqp s PRO 95 Cb 0.00 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2oqp s PRO 95 CO 0.00 -1.21 0.98 -1.12 0.04 0.00 0.00 177.00 175.68 2oqp s SER 96 N -3.82 5.72 -0.83 6.66 0.01 -1.26 -4.98 113.70 115.19 2oqp s SER 96 Ca 0.59 0.99 -0.23 0.00 1.31 0.00 0.00 55.95 58.61 2oqp s SER 96 Cb -0.14 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.19 2oqp s SER 96 CO 0.55 -1.07 1.21 0.00 0.41 0.00 0.00 173.24 174.34 2oqp n ASP 98 N 8.30 -1.95 -3.28 0.00 -0.08 -1.26 -4.98 116.55 113.30 2oqp n ASP 98 Ca 0.13 0.46 -0.26 0.00 -1.51 0.00 0.00 54.79 53.60 2oqp n ASP 98 Cb 0.49 2.05 -0.03 0.00 2.34 0.00 0.00 41.12 45.97 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2oqp n SER 99 N -2.90 4.02 0.00 1.67 2.88 -1.26 -2.95 113.62 115.07 2oqp n SER 99 Ca 0.00 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 2oqp n SER 99 Cb 0.00 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 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 5.10 -0.51 0.00 0.66 4.01 -1.26 -4.95 117.16 120.20 2oqp n TYR 100 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 2oqp n TYR 100 Cb 0.19 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 -2.08 0.00 -1.30 -0.72 4.07 -1.15 -4.97 120.64 114.48 2oqp n GLU 101 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 2oqp n GLU 101 Cb 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.54 2oqp n GLU 101 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2oqp s LYS 102 N -3.85 0.77 0.29 5.31 3.01 -1.26 -4.31 119.74 119.69 2oqp s LYS 102 Ca 0.00 0.47 -0.10 0.00 -1.01 0.00 0.00 55.97 55.34 2oqp s LYS 102 Cb 0.00 -1.78 0.00 0.00 -1.01 0.00 0.00 37.83 35.04 2oqp s LYS 102 CO 0.00 -2.49 0.49 0.15 0.51 0.00 0.00 175.35 174.01 2oqp s LYS 103 N -5.07 1.70 1.00 1.68 1.02 0.16 -4.84 119.74 115.40 2oqp s LYS 103 Ca 0.64 -1.43 -0.15 0.00 0.02 0.00 0.00 55.97 55.05 2oqp s LYS 103 Cb -0.17 0.47 0.19 0.00 -0.52 0.00 0.00 37.83 37.80 2oqp s LYS 103 CO 0.56 -0.71 1.18 -1.25 -0.92 0.00 0.00 175.35 174.21 2oqp s PRO 104 N -3.59 0.39 0.11 -1.68 0.04 -1.26 -0.90 135.00 128.11 2oqp s PRO 104 Ca 0.25 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.21 2oqp s PRO 104 Cb -0.01 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 2oqp s PRO 104 CO 0.13 -2.65 1.28 -1.00 0.04 0.00 0.00 177.00 174.80 2oqp h PRO 105 N -1.82 0.60 -0.89 0.56 0.13 -1.82 0.47 132.00 129.23 2oqp h PRO 105 Ca -0.47 -0.58 0.09 0.00 -0.87 0.00 0.00 66.00 64.16 2oqp h PRO 105 Cb 1.30 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.50 2oqp h PRO 105 CO 0.48 1.20 0.54 1.57 -0.23 0.00 0.00 178.00 181.56 2oqp h LYS 106 N 0.37 0.89 0.02 0.86 2.10 -1.94 -0.60 116.57 118.26 2oqp h LYS 106 Ca -0.08 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2oqp h LYS 106 Cb 1.54 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2oqp h LYS 106 CO 0.17 0.59 -0.01 1.49 -2.00 0.00 0.00 179.45 179.69 2oqp h GLU 107 N 0.92 -0.02 -1.32 0.07 4.81 -1.94 -1.13 114.58 115.95 2oqp h GLU 107 Ca 0.42 0.00 0.43 0.00 -0.13 0.00 0.00 59.36 60.08 2oqp h GLU 107 Cb 0.32 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.59 2oqp h GLU 107 CO -0.23 0.62 0.86 0.35 -0.73 0.00 0.00 179.01 179.88 2oqp h PHE 108 N -0.97 0.51 0.00 0.92 3.57 -0.67 0.85 116.94 121.15 2oqp h PHE 108 Ca -0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 2oqp h PHE 108 Cb 0.65 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2oqp h PHE 108 CO 0.17 -0.19 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.32 2oqp h LEU 109 N 0.09 0.00 -1.87 0.59 -0.00 -1.19 -1.48 115.31 111.45 2oqp h LEU 109 Ca 0.81 -0.68 0.16 0.00 -0.00 0.00 0.00 57.88 58.18 2oqp h LEU 109 Cb 2.56 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 43.20 2oqp h LEU 109 CO -0.40 1.23 0.57 -0.33 -0.00 0.00 0.00 178.44 179.51 2oqp h GLU 110 N -1.00 0.00 0.01 1.13 4.39 0.72 -0.76 114.58 119.07 2oqp h GLU 110 Ca -0.18 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.24 2oqp h GLU 110 Cb 1.11 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 2oqp h GLU 110 CO -0.11 0.00 -1.50 -2.13 -1.16 0.00 0.00 179.01 174.11 2oqp n ARG 111 N -3.73 0.58 -0.14 2.33 0.63 0.26 -3.95 116.66 112.65 2oqp n ARG 111 Ca 0.11 0.51 -0.13 0.00 -0.92 0.00 0.00 57.85 57.42 2oqp n ARG 111 Cb 0.78 -1.71 -0.09 0.00 0.45 0.00 0.00 32.46 31.89 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 -0.92 -1.57 -0.74 -0.14 3.57 -0.08 0.35 116.94 117.41 2oqp h PHE 112 Ca -0.41 0.08 0.15 0.00 3.53 0.00 0.00 57.97 61.32 2oqp h PHE 112 Cb 1.40 0.74 -0.14 0.00 2.79 0.00 0.00 35.95 40.74 2oqp h PHE 112 CO 0.07 -0.44 -0.14 -0.22 -2.23 0.00 0.00 178.31 175.35 2oqp h LYS 113 N -0.35 0.02 0.22 1.11 3.64 -1.42 0.15 116.57 119.94 2oqp h LYS 113 Ca 0.07 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2oqp h LYS 113 Cb 0.53 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2oqp h LYS 113 CO -0.56 0.01 -0.30 1.03 -2.27 0.00 0.00 179.45 177.37 2oqp h SER 114 N 0.02 -0.83 -1.03 4.20 0.87 -1.02 0.61 113.55 116.37 2oqp h SER 114 Ca 0.37 0.08 0.26 0.00 -1.23 0.00 0.00 61.79 61.27 2oqp h SER 114 Cb 0.59 0.30 -0.11 0.00 -0.44 0.00 0.00 62.40 62.73 2oqp h SER 114 CO -0.73 -0.41 0.63 0.25 -0.53 0.00 0.00 176.83 176.04 2oqp h LEU 115 N -0.58 0.57 0.39 2.23 7.12 0.20 2.02 115.31 127.25 2oqp h LEU 115 Ca 0.01 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2oqp h LEU 115 Cb 0.56 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 2oqp h LEU 115 CO -0.11 0.09 -0.19 -0.07 -0.13 0.00 0.00 178.44 178.03 2oqp h LEU 116 N 0.49 -0.44 0.00 2.25 3.38 0.57 0.12 115.31 121.68 2oqp h LEU 116 Ca 0.63 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.62 2oqp h LEU 116 Cb 1.38 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2oqp h LEU 116 CO -0.40 -0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.04 2oqp n GLN 117 N -4.65 0.02 0.00 1.13 -0.00 0.20 0.69 117.38 114.77 2oqp n GLN 117 Ca -0.06 0.34 0.00 0.00 -0.00 0.00 0.00 57.00 57.28 2oqp n GLN 117 Cb 0.21 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.95 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 -1.37 0.00 -0.01 2.61 5.02 0.67 -4.45 118.16 120.64 2oqp n LYS 118 Ca 0.01 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.52 2oqp n LYS 118 Cb 0.02 -0.71 -0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.75 1.97 4.05 -0.83 -3.33 114.93 116.04 2oqp h MET 119 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2oqp h MET 119 Cb 0.00 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.70 2oqp h MET 119 CO 0.00 0.00 -0.39 -0.89 0.23 0.00 0.00 176.91 175.86 2oqp n ILE 120 N -2.72 -0.47 -0.38 1.77 -0.00 -0.26 0.16 119.36 117.45 2oqp n ILE 120 Ca -0.01 1.80 -0.02 0.00 -0.00 0.00 0.00 62.75 64.51 2oqp n ILE 120 Cb 0.03 -2.28 0.02 0.00 -0.00 0.00 0.00 39.64 37.42 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 -5.00 -0.03 -0.32 1.39 -0.00 0.22 0.19 115.22 111.65 2oqp n HIS 121 Ca 0.04 1.22 0.28 0.00 0.46 0.00 0.00 57.72 59.72 2oqp n HIS 121 Cb 0.24 -0.83 0.53 0.00 -0.12 0.00 0.00 29.99 29.81 2oqp n HIS 121 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2oqp h GLN 122 N 0.00 0.03 -1.22 1.57 1.08 0.14 1.31 115.11 118.03 2oqp h GLN 122 Ca 0.32 -0.00 0.43 0.00 -1.45 0.00 0.00 58.65 57.95 2oqp h GLN 122 Cb 0.57 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.84 2oqp h GLN 122 CO -0.97 0.02 0.75 1.25 -0.95 0.00 0.00 178.83 178.92 2oqp h HIS 123 N 0.03 0.65 0.00 2.96 2.76 0.21 -2.29 115.15 119.47 2oqp h HIS 123 Ca 0.80 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.95 2oqp h HIS 123 Cb 2.04 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.83 2oqp h HIS 123 CO -0.09 -0.30 -1.06 1.28 -1.30 0.00 0.00 177.93 176.46 2oqp n LEU 124 N -4.90 1.91 -3.42 0.26 7.99 0.44 -5.04 117.00 114.24 2oqp n LEU 124 Ca 0.38 0.40 -0.15 0.00 -0.01 0.00 0.00 56.01 56.63 2oqp n LEU 124 Cb 1.38 -0.78 0.01 0.00 -0.11 0.00 0.00 43.42 43.92 2oqp n LEU 124 CO 0.13 -0.21 0.06 -0.24 -1.51 0.00 0.00 177.39 175.63 2oqp n SER 125 N -4.47 -6.34 -3.32 -1.43 2.88 -0.36 -3.71 113.62 96.87 2oqp n SER 125 Ca -0.17 -0.57 -0.18 0.00 -1.33 0.00 0.00 58.87 56.61 2oqp n SER 125 Cb 0.51 -3.80 0.02 0.00 -0.75 0.00 0.00 64.21 60.19 2oqp n SER 125 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2oqp n SER 126 N -2.29 -6.15 -3.58 -3.46 7.64 -1.26 -5.00 113.62 99.52 2oqp n SER 126 Ca -0.12 0.18 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 2oqp n SER 126 Cb 0.58 -1.81 -0.06 0.00 -1.01 0.00 0.00 64.21 61.92 2oqp n SER 126 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2oqp s ARG 127 N -1.72 0.68 -0.02 1.43 3.00 -1.24 -5.06 118.95 116.01 2oqp s ARG 127 Ca 0.18 0.26 -0.17 0.00 -1.00 0.00 0.00 55.73 55.01 2oqp s ARG 127 Cb -0.02 0.32 0.03 0.00 0.00 0.00 0.00 34.95 35.28 2oqp s ARG 127 CO 0.44 -0.19 0.36 -0.08 0.00 0.00 0.00 175.30 175.83 2oqp s THR 128 N -0.87 0.05 -0.19 4.11 -1.32 -1.26 -4.89 115.64 111.26 2oqp s THR 128 Ca -0.03 -0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.03 2oqp s THR 128 Cb -0.01 -0.65 -0.01 0.00 -1.51 0.00 0.00 72.50 70.31 2oqp s THR 128 CO 0.02 -0.22 -0.06 -2.28 -2.21 0.00 0.00 174.62 169.88 2oqp s HIS 129 N -1.23 2.94 -0.60 9.09 2.46 -1.26 -5.05 115.29 121.64 2oqp s HIS 129 Ca -0.13 -0.75 -0.27 0.00 0.47 0.00 0.00 55.06 54.39 2oqp s HIS 129 Cb -0.04 -2.03 -0.01 0.00 -0.13 0.00 0.00 32.58 30.37 2oqp s HIS 129 CO 0.05 -0.38 1.76 0.20 -2.47 0.00 0.00 174.74 173.89 2oqp s GLY 130 N 1.05 0.37 -0.30 1.59 0.00 -1.26 -4.86 107.32 103.91 2oqp s GLY 130 Ca 0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2oqp s GLY 130 CO -0.00 3.28 0.89 -1.35 0.00 0.00 0.00 173.10 175.91 2oqp s SER 131 N 7.19 -0.80 0.21 1.64 1.04 -1.26 -5.05 113.70 116.67 2oqp s SER 131 Ca 0.63 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2oqp s SER 131 Cb -0.13 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.63 2oqp s SER 131 CO 0.21 -0.15 0.00 1.21 0.98 0.00 0.00 173.24 175.49 2oqp n GLU 132 N 5.42 0.00 -0.06 4.02 0.00 -1.26 -4.96 120.64 123.80 2oqp n GLU 132 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.08 2oqp n GLU 132 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 31.44 31.86 2oqp n GLU 132 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2oqp h ASP 133 N 0.00 0.00 -0.03 4.31 3.58 -2.03 -3.57 116.42 118.69 2oqp h ASP 133 Ca 0.00 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2oqp h ASP 133 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2oqp h ASP 133 CO 0.00 0.69 0.00 -0.24 -2.88 0.00 0.00 179.24 176.81