#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp h GLN 2 N 0.00 0.02 0.00 0.03 1.08 -2.12 -3.45 115.11 110.66 2oqp h GLN 2 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2oqp h GLN 2 Cb 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2oqp h GLN 2 CO 0.00 0.01 0.00 0.41 -0.95 0.00 0.00 178.83 178.30 2oqp n GLY 3 N -1.53 1.01 3.55 3.46 0.00 -1.26 -5.13 105.19 105.29 2oqp n GLY 3 Ca 0.15 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2oqp n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oqp n GLN 4 N 0.00 1.06 -4.93 1.61 6.02 -1.26 -4.98 117.38 114.90 2oqp n GLN 4 Ca 0.00 0.38 -0.33 0.00 -0.01 0.00 0.00 57.00 57.05 2oqp n GLN 4 Cb 0.00 -1.82 -0.14 0.00 1.02 0.00 0.00 30.24 29.31 2oqp n GLN 4 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2oqp s ASP 5 N -0.79 3.89 0.64 1.08 2.15 -1.26 -4.98 116.67 117.40 2oqp s ASP 5 Ca 0.63 -0.25 0.25 0.00 0.43 0.00 0.00 52.55 53.61 2oqp s ASP 5 Cb -0.60 -0.91 1.31 0.00 -0.30 0.00 0.00 42.92 42.42 2oqp s ASP 5 CO 0.57 0.31 1.74 0.03 -0.17 0.00 0.00 175.17 177.66 2oqp h ARG 6 N 5.58 0.00 0.00 4.34 3.08 -1.99 0.31 114.38 125.70 2oqp h ARG 6 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2oqp h ARG 6 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2oqp h ARG 6 CO 0.51 0.00 -0.19 0.45 -1.07 0.00 0.00 179.97 179.67 2oqp h HIS 7 N 0.00 0.00 -1.34 3.04 3.86 -1.98 -2.54 115.15 116.18 2oqp h HIS 7 Ca 0.09 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 59.69 2oqp h HIS 7 Cb 1.15 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.57 2oqp h HIS 7 CO 0.00 0.00 1.21 1.98 0.86 0.00 0.00 177.93 181.98 2oqp h MET 8 N -0.42 0.00 0.07 2.45 1.85 -1.81 1.22 114.93 118.29 2oqp h MET 8 Ca 0.00 0.00 -0.25 0.00 -0.61 0.00 0.00 59.70 58.84 2oqp h MET 8 Cb 0.19 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 2oqp h MET 8 CO 0.00 0.00 -1.30 -0.84 -0.40 0.00 0.00 176.91 174.37 2oqp h ILE 9 N 0.00 1.01 -0.79 1.77 -0.00 -1.11 -3.21 117.51 115.17 2oqp h ILE 9 Ca 0.64 -2.31 0.19 0.00 -0.00 0.00 0.00 64.86 63.37 2oqp h ILE 9 Cb 3.06 2.58 -0.14 0.00 -0.00 0.00 0.00 36.82 42.33 2oqp h ILE 9 CO -0.01 0.59 0.04 -0.09 -0.00 0.00 0.00 178.15 178.68 2oqp h ARG 10 N -0.56 0.11 0.00 0.16 2.43 0.19 1.58 114.38 118.30 2oqp h ARG 10 Ca -0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2oqp h ARG 10 Cb 1.57 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2oqp h ARG 10 CO -0.03 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.50 2oqp n MET 11 N -5.33 0.00 -0.38 0.20 0.00 -0.48 -0.67 117.12 110.45 2oqp n MET 11 Ca 0.15 0.40 0.33 0.00 0.00 0.00 0.00 57.70 58.58 2oqp n MET 11 Cb 0.52 -1.29 0.65 0.00 0.00 0.00 0.00 33.22 33.10 2oqp n MET 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2oqp h ARG 12 N 0.00 0.15 -0.26 3.17 0.11 -1.50 0.69 114.38 116.74 2oqp h ARG 12 Ca 0.00 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 2oqp h ARG 12 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 2oqp h ARG 12 CO 0.00 0.10 -0.06 1.96 0.10 0.00 0.00 179.97 182.07 2oqp h GLN 13 N 0.15 0.50 -0.61 0.08 1.08 0.23 0.24 115.11 116.79 2oqp h GLN 13 Ca 0.65 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.69 2oqp h GLN 13 Cb 2.18 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 29.54 2oqp h GLN 13 CO -0.19 0.72 0.38 -0.07 -0.95 0.00 0.00 178.83 178.72 2oqp h LEU 14 N 0.25 0.62 -1.06 1.46 -0.00 0.26 0.34 115.31 117.19 2oqp h LEU 14 Ca 0.07 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 2oqp h LEU 14 Cb 0.53 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2oqp h LEU 14 CO 0.03 0.44 -0.39 0.40 -0.00 0.00 0.00 178.44 178.91 2oqp h ILE 15 N 0.75 1.02 0.31 1.22 5.03 -1.06 -1.36 117.51 123.43 2oqp h ILE 15 Ca 0.24 -1.48 -0.02 0.00 -0.12 0.00 0.00 64.86 63.48 2oqp h ILE 15 Cb 0.01 1.86 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 2oqp h ILE 15 CO -0.10 0.38 -0.15 -0.78 -0.68 0.00 0.00 178.15 176.83 2oqp h ASP 16 N 0.00 -0.36 -0.70 1.72 3.58 0.13 -1.35 116.42 119.44 2oqp h ASP 16 Ca -0.00 0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.60 2oqp h ASP 16 Cb 0.83 0.09 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 2oqp h ASP 16 CO 0.05 -0.11 0.18 0.16 -2.88 0.00 0.00 179.24 176.64 2oqp h ILE 17 N -0.71 0.57 0.08 2.25 3.07 -0.44 1.49 117.51 123.81 2oqp h ILE 17 Ca -0.04 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2oqp h ILE 17 Cb 0.32 0.25 -0.01 0.00 -0.27 0.00 0.00 36.82 37.11 2oqp h ILE 17 CO 0.07 0.05 -0.18 0.58 -1.05 0.00 0.00 178.15 177.63 2oqp h VAL 18 N 0.29 0.00 -0.31 0.16 2.07 -1.29 1.31 116.25 118.48 2oqp h VAL 18 Ca 0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.96 2oqp h VAL 18 Cb 0.63 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2oqp h VAL 18 CO -0.46 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.33 2oqp h ASP 19 N -0.29 -0.16 -0.50 0.57 3.58 -0.57 0.74 116.42 119.79 2oqp h ASP 19 Ca -0.01 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.62 2oqp h ASP 19 Cb 0.27 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.37 2oqp h ASP 19 CO -0.07 -0.05 -0.09 -0.61 -2.88 0.00 0.00 179.24 175.54 2oqp h GLN 20 N 0.07 0.03 -0.32 0.28 4.15 0.24 0.80 115.11 120.35 2oqp h GLN 20 Ca 0.15 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 2oqp h GLN 20 Cb 0.21 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2oqp h GLN 20 CO -0.27 0.02 0.00 1.25 -1.93 0.00 0.00 178.83 177.90 2oqp h LEU 21 N 0.03 0.56 -0.36 -2.39 7.12 0.27 -2.94 115.31 117.59 2oqp h LEU 21 Ca 0.24 -0.30 0.06 0.00 0.13 0.00 0.00 57.88 58.01 2oqp h LEU 21 Cb 0.38 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.30 2oqp h LEU 21 CO -0.49 0.72 -0.01 0.11 -0.13 0.00 0.00 178.44 178.65 2oqp h LYS 22 N 0.37 0.09 -0.31 1.25 1.57 0.20 0.47 116.57 120.21 2oqp h LYS 22 Ca 0.09 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2oqp h LYS 22 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2oqp h LYS 22 CO 0.02 0.06 0.46 -0.91 -0.57 0.00 0.00 179.45 178.50 2oqp h ASN 23 N 0.09 0.00 -0.78 0.86 4.21 0.71 0.71 115.58 121.38 2oqp h ASN 23 Ca 0.17 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.19 2oqp h ASN 23 Cb 0.24 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.17 2oqp h ASN 23 CO -0.30 0.00 0.24 -1.22 -1.29 0.00 0.00 177.43 174.86 2oqp n TYR 24 N -3.44 2.54 -0.10 1.19 4.01 0.16 -4.66 117.16 116.86 2oqp n TYR 24 Ca 0.05 -2.27 0.24 0.00 -0.16 0.00 0.00 57.90 55.76 2oqp n TYR 24 Cb 0.60 -0.88 0.68 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.24 0.65 0.00 -0.72 2.07 0.73 0.77 116.25 120.99 2oqp h VAL 25 Ca 0.47 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.97 2oqp h VAL 25 Cb 1.59 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2oqp h VAL 25 CO 1.02 0.01 0.25 -1.13 0.02 0.00 0.00 177.57 177.73 2oqp h ASN 26 N 0.05 0.00 -1.13 0.57 -0.73 -1.82 0.35 115.58 112.86 2oqp h ASN 26 Ca 0.35 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.92 2oqp h ASN 26 Cb 1.32 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.52 2oqp h ASN 26 CO -0.02 0.00 -0.43 0.47 -0.37 0.00 0.00 177.43 177.08 2oqp n ASP 27 N -2.68 5.41 -4.20 1.15 9.92 0.27 -4.80 116.55 121.61 2oqp n ASP 27 Ca -0.02 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.79 50.19 2oqp n ASP 27 Cb 0.29 -0.52 -0.17 0.00 -0.64 0.00 0.00 41.12 40.09 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 -3.65 2.01 -0.23 0.64 1.43 0.12 -2.21 118.68 116.80 2oqp s LEU 28 Ca 0.52 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 2oqp s LEU 28 Cb 0.42 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 2oqp s LEU 28 CO -0.08 0.18 0.16 0.54 0.23 0.00 0.00 176.35 177.38 2oqp s VAL 29 N 0.15 5.37 -0.54 -1.59 0.11 -0.56 -4.09 120.40 119.25 2oqp s VAL 29 Ca -0.11 0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 58.86 2oqp s VAL 29 Cb -0.15 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.21 2oqp s VAL 29 CO 0.06 0.37 1.49 -2.16 -3.33 0.00 0.00 175.10 171.52 2oqp s PRO 30 N 0.87 3.26 0.13 1.54 0.04 -1.26 -4.69 135.00 134.90 2oqp s PRO 30 Ca 0.08 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.72 2oqp s PRO 30 Cb -0.13 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2oqp s PRO 30 CO 0.03 -1.98 -0.02 -1.83 0.04 0.00 0.00 177.00 173.24 2oqp s GLU 31 N 5.62 0.95 -0.75 4.56 -1.05 -1.26 -5.07 118.70 121.70 2oqp s GLU 31 Ca 0.57 -1.43 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 2oqp s GLU 31 Cb -0.12 -0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.34 2oqp s GLU 31 CO 0.26 -0.10 2.14 -0.06 0.95 0.00 0.00 175.26 178.45 2oqp s PHE 32 N -3.71 1.46 -0.17 4.83 0.08 -1.26 -4.62 117.98 114.59 2oqp s PHE 32 Ca 0.18 1.22 -0.05 0.00 0.12 0.00 0.00 56.93 58.41 2oqp s PHE 32 Cb 0.06 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.69 2oqp s PHE 32 CO -0.00 -1.92 -0.01 -0.51 -0.10 0.00 0.00 175.22 172.68 2oqp s LEU 33 N 11.68 3.37 0.02 -0.37 1.02 -1.14 -4.90 118.68 128.35 2oqp s LEU 33 Ca 0.81 -0.10 -0.30 0.00 0.02 0.00 0.00 54.13 54.55 2oqp s LEU 33 Cb -0.11 -1.83 -0.05 0.00 0.02 0.00 0.00 46.19 44.22 2oqp s LEU 33 CO 0.10 0.14 1.18 -2.16 0.02 0.00 0.00 176.35 175.64 2oqp s PRO 34 N 0.52 4.42 -0.13 1.29 0.04 -1.26 -1.24 135.00 138.64 2oqp s PRO 34 Ca -0.01 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2oqp s PRO 34 Cb -0.14 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.03 2oqp s PRO 34 CO 0.02 -0.30 0.03 0.00 0.04 0.00 0.00 177.00 176.79 2oqp s ALA 35 N 1.40 0.77 -0.31 8.56 0.00 -1.26 -4.55 121.76 126.37 2oqp s ALA 35 Ca 0.57 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2oqp s ALA 35 Cb -0.27 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2oqp s ALA 35 CO 0.27 -0.81 1.36 -1.25 0.00 0.00 0.00 175.76 175.32 2oqp s PRO 36 N 1.95 3.83 -0.21 0.00 0.04 -1.26 -4.92 135.00 134.44 2oqp s PRO 36 Ca 0.02 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2oqp s PRO 36 Cb -0.15 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 2oqp s PRO 36 CO -0.07 -1.23 0.24 -1.83 0.04 0.00 0.00 177.00 174.15 2oqp s GLU 37 N 4.38 4.15 -0.26 4.56 4.04 -1.26 -4.70 118.70 129.61 2oqp s GLU 37 Ca 0.59 -0.08 -0.05 0.00 0.04 0.00 0.00 54.97 55.47 2oqp s GLU 37 Cb -0.17 -3.50 0.02 0.00 0.02 0.00 0.00 34.13 30.50 2oqp s GLU 37 CO 0.26 0.10 0.11 -0.25 -1.84 0.00 0.00 175.26 173.64 2oqp n ASP 38 N 4.09 -4.77 -4.51 0.83 8.00 -1.26 -5.02 116.55 113.90 2oqp n ASP 38 Ca -0.13 1.40 -0.31 0.00 0.71 0.00 0.00 54.79 56.46 2oqp n ASP 38 Cb 0.52 -5.30 -0.12 0.00 -0.02 0.00 0.00 41.12 36.19 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oqp s VAL 39 N -1.22 3.14 0.74 2.53 -7.23 -1.26 -4.89 120.40 112.20 2oqp s VAL 39 Ca -0.12 -1.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2oqp s VAL 39 Cb 0.01 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2oqp s VAL 39 CO 0.79 0.37 0.87 1.21 -0.31 0.00 0.00 175.10 178.03 2oqp n GLU 40 N 1.57 0.38 -0.33 4.82 2.13 -1.26 -4.58 120.64 123.38 2oqp n GLU 40 Ca -0.16 0.18 0.19 0.00 0.66 0.00 0.00 57.16 58.03 2oqp n GLU 40 Cb 0.52 -2.14 0.36 0.00 0.27 0.00 0.00 31.44 30.45 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 -0.42 0.04 -1.87 6.31 2.02 -1.99 0.84 112.91 117.85 2oqp h THR 41 Ca -0.47 -0.01 -0.71 0.00 0.77 0.00 0.00 66.41 66.00 2oqp h THR 41 Cb 1.33 0.01 -0.33 0.00 -1.74 0.00 0.00 68.15 67.43 2oqp h THR 41 CO 0.45 0.01 0.41 0.59 0.37 0.00 0.00 175.52 177.35 2oqp n ASN 42 N -5.41 6.48 0.00 4.18 3.02 -1.26 -4.36 115.26 117.91 2oqp n ASN 42 Ca 0.27 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.03 2oqp n ASN 42 Cb 0.88 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oqp n GLU 44 N -2.14 -0.02 0.18 0.00 1.02 -1.11 0.20 120.64 118.77 2oqp n GLU 44 Ca 0.00 0.93 -0.09 0.00 -0.02 0.00 0.00 57.16 57.98 2oqp n GLU 44 Cb 0.20 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 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 -0.49 -0.22 -0.32 4.06 -1.87 -1.32 115.95 115.79 2oqp h TRP 45 Ca 0.70 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.71 2oqp h TRP 45 Cb 2.49 0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 30.81 2oqp h TRP 45 CO -0.00 -0.27 0.36 0.77 -3.56 0.00 0.00 178.44 175.74 2oqp h SER 46 N -1.12 0.00 1.46 -3.49 0.02 0.24 1.42 113.55 112.09 2oqp h SER 46 Ca -0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2oqp h SER 46 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2oqp h SER 46 CO 0.09 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 175.22 2oqp h ALA 47 N 1.48 0.75 -0.90 3.77 0.00 0.25 -3.29 119.26 121.32 2oqp h ALA 47 Ca 0.10 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.93 2oqp h ALA 47 Cb 0.82 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2oqp h ALA 47 CO -0.00 0.35 0.60 0.35 0.00 0.00 0.00 179.25 180.55 2oqp h PHE 48 N 0.00 0.56 0.33 0.00 3.04 0.32 -0.87 116.94 120.32 2oqp h PHE 48 Ca -0.03 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2oqp h PHE 48 Cb 1.22 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2oqp h PHE 48 CO 0.00 0.15 -0.16 0.77 -2.02 0.00 0.00 178.31 177.05 2oqp h SER 49 N 0.42 -0.38 -0.19 0.41 0.02 -1.62 0.79 113.55 113.00 2oqp h SER 49 Ca 0.47 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.38 2oqp h SER 49 Cb 1.15 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2oqp h SER 49 CO -0.18 -0.12 0.38 0.00 -1.14 0.00 0.00 176.83 175.76 2oqp h PHE 51 N 0.00 0.00 0.00 0.00 0.04 -0.50 -2.49 116.94 113.98 2oqp h PHE 51 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2oqp h PHE 51 Cb 0.85 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2oqp h PHE 51 CO 0.00 1.19 0.00 0.00 -0.60 0.00 0.00 178.31 178.90 2oqp n GLN 52 N -4.51 0.02 -0.08 1.51 -0.00 0.27 -1.86 117.38 112.73 2oqp n GLN 52 Ca -0.23 0.28 -0.09 0.00 -0.00 0.00 0.00 57.00 56.96 2oqp n GLN 52 Cb 0.57 -1.54 -0.15 0.00 -0.00 0.00 0.00 30.24 29.12 2oqp n GLN 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2oqp n LYS 53 N -1.57 0.68 -0.35 2.61 4.81 0.37 -4.25 118.16 120.46 2oqp n LYS 53 Ca 0.03 0.05 0.27 0.00 -0.87 0.00 0.00 58.31 57.80 2oqp n LYS 53 Cb 0.17 -1.58 0.53 0.00 0.02 0.00 0.00 35.03 34.16 2oqp n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2oqp h ALA 54 N 1.05 2.13 -4.60 3.14 0.00 -0.88 -3.47 119.26 116.62 2oqp h ALA 54 Ca -0.47 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2oqp h ALA 54 Cb 2.14 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 20.08 2oqp h ALA 54 CO 0.04 -0.77 -1.10 0.94 0.00 0.00 0.00 179.25 178.36 2oqp n GLN 55 N -5.02 -4.61 -2.65 0.00 7.27 -1.25 -4.84 117.38 106.27 2oqp n GLN 55 Ca 0.34 3.42 -0.41 0.00 0.07 0.00 0.00 57.00 60.42 2oqp n GLN 55 Cb 1.11 -4.52 -0.04 0.00 2.41 0.00 0.00 30.24 29.20 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 -0.57 4.50 -0.05 1.69 1.98 -1.26 -5.04 118.68 119.93 2oqp s LEU 56 Ca -0.09 1.90 0.02 0.00 -2.89 0.00 0.00 54.13 53.07 2oqp s LEU 56 Cb 0.01 -3.59 0.01 0.00 0.66 0.00 0.00 46.19 43.28 2oqp s LEU 56 CO 0.25 -0.11 -0.09 -0.75 -1.89 0.00 0.00 176.35 173.76 2oqp s LYS 57 N -0.15 1.17 0.35 1.98 2.47 -1.26 -4.93 119.74 119.37 2oqp s LYS 57 Ca 0.48 -0.27 -0.07 0.00 -1.56 0.00 0.00 55.97 54.54 2oqp s LYS 57 Cb -0.26 -1.05 -0.06 0.00 -1.46 0.00 0.00 37.83 35.01 2oqp s LYS 57 CO 0.31 0.02 0.66 0.45 0.16 0.00 0.00 175.35 176.95 2oqp s SER 58 N 0.60 6.47 0.40 1.43 0.15 -1.25 -1.50 113.70 120.00 2oqp s SER 58 Ca -0.10 0.91 0.27 0.00 0.70 0.00 0.00 55.95 57.73 2oqp s SER 58 Cb -0.13 -2.23 1.47 0.00 -1.71 0.00 0.00 66.02 63.42 2oqp s SER 58 CO 0.02 -0.30 1.83 0.00 1.20 0.00 0.00 173.24 175.98 2oqp h ALA 59 N 1.43 1.00 -5.76 5.45 0.00 -1.59 -3.39 119.26 116.40 2oqp h ALA 59 Ca -0.47 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 2oqp h ALA 59 Cb 1.19 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.08 2oqp h ALA 59 CO 0.65 -0.00 -0.67 0.09 0.00 0.00 0.00 179.25 179.32 2oqp n ASN 60 N -2.45 -6.44 -0.87 0.00 3.02 -1.26 -4.93 115.26 102.33 2oqp n ASN 60 Ca -0.02 -0.65 -0.01 0.00 -0.03 0.00 0.00 54.58 53.88 2oqp n ASN 60 Cb 0.04 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.06 0.00 -3.91 3.41 5.66 -1.26 -5.11 114.28 110.01 2oqp n THR 61 Ca -0.08 -0.25 -0.11 0.00 -3.05 0.00 0.00 64.05 60.56 2oqp n THR 61 Cb 0.58 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 2oqp n THR 61 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2oqp s GLY 62 N -1.01 0.81 0.13 1.09 0.00 -1.26 -5.04 107.32 102.04 2oqp s GLY 62 Ca 0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 2oqp s GLY 62 CO -0.04 -0.57 1.29 -0.57 0.00 0.00 0.00 173.10 173.21 2oqp h ASN 63 N 2.03 0.37 -0.04 1.64 -0.73 -2.02 -3.00 115.58 113.83 2oqp h ASN 63 Ca -0.31 -0.33 0.01 0.00 1.87 0.00 0.00 56.30 57.55 2oqp h ASN 63 Cb 1.25 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.72 2oqp h ASN 63 CO 0.40 1.16 0.32 0.78 -0.37 0.00 0.00 177.43 179.72 2oqp h ASN 64 N 0.13 0.00 -1.28 1.15 2.35 -1.98 -1.30 115.58 114.65 2oqp h ASN 64 Ca -0.07 0.00 0.37 0.00 -0.55 0.00 0.00 56.30 56.05 2oqp h ASN 64 Cb 1.65 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.97 2oqp h ASN 64 CO 0.16 0.00 1.17 -0.08 -1.65 0.00 0.00 177.43 177.03 2oqp h GLU 65 N 0.00 0.00 0.12 0.81 4.22 -1.90 1.45 114.58 119.27 2oqp h GLU 65 Ca 0.02 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.18 2oqp h GLU 65 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2oqp h GLU 65 CO -0.00 0.00 -1.44 -0.09 -2.18 0.00 0.00 179.01 175.30 2oqp h ARG 66 N 0.00 0.25 0.00 1.92 9.65 -1.50 -2.92 114.38 121.78 2oqp h ARG 66 Ca 0.61 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2oqp h ARG 66 Cb 2.94 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 31.68 2oqp h ARG 66 CO -0.01 1.20 0.00 1.51 2.80 0.00 0.00 179.97 185.48 2oqp n ILE 67 N -3.90 1.30 -0.07 1.20 0.13 0.45 -2.09 119.36 116.38 2oqp n ILE 67 Ca -0.25 0.33 -0.22 0.00 -1.10 0.00 0.00 62.75 61.50 2oqp n ILE 67 Cb 0.91 -1.16 -0.12 0.00 -0.84 0.00 0.00 39.64 38.43 2oqp n ILE 67 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2oqp n ILE 68 N -1.49 1.62 0.22 9.51 -0.00 0.12 -3.98 119.36 125.36 2oqp n ILE 68 Ca 0.02 -0.33 0.18 0.00 -0.00 0.00 0.00 62.75 62.62 2oqp n ILE 68 Cb 0.11 -1.87 0.80 0.00 -0.00 0.00 0.00 39.64 38.69 2oqp n ILE 68 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2oqp h ASN 69 N -0.56 0.00 0.08 4.38 -0.73 -1.21 0.74 115.58 118.27 2oqp h ASN 69 Ca -0.44 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.54 2oqp h ASN 69 Cb 1.64 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.23 2oqp h ASN 69 CO -0.13 0.00 -0.69 -0.37 -0.37 0.00 0.00 177.43 175.87 2oqp h VAL 70 N 0.00 1.33 0.00 2.57 -1.51 -1.64 -2.57 116.25 114.44 2oqp h VAL 70 Ca 0.09 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 2oqp h VAL 70 Cb 0.79 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2oqp h VAL 70 CO -0.00 0.61 0.00 -1.54 -1.23 0.00 0.00 177.57 175.41 2oqp n SER 71 N -3.90 0.17 0.09 4.19 3.41 0.25 -3.14 113.62 114.70 2oqp n SER 71 Ca -0.05 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 59.07 2oqp n SER 71 Cb 0.69 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2oqp n SER 71 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2oqp h ILE 72 N 0.00 0.00 -0.90 -1.33 1.08 -1.20 0.43 117.51 115.59 2oqp h ILE 72 Ca 0.00 -0.34 0.19 0.00 -0.39 0.00 0.00 64.86 64.32 2oqp h ILE 72 Cb 0.25 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.83 2oqp h ILE 72 CO 0.00 0.00 -0.16 0.11 -0.69 0.00 0.00 178.15 177.41 2oqp h LYS 73 N -0.62 0.01 0.25 2.37 1.57 -1.60 1.53 116.57 120.08 2oqp h LYS 73 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2oqp h LYS 73 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2oqp h LYS 73 CO 0.05 0.01 -0.12 0.87 -0.57 0.00 0.00 179.45 179.69 2oqp h LYS 74 N 0.01 -0.32 -1.00 3.15 1.79 -1.63 -3.09 116.57 115.49 2oqp h LYS 74 Ca 0.46 0.02 0.39 0.00 -2.18 0.00 0.00 60.65 59.34 2oqp h LYS 74 Cb 0.76 0.07 -0.18 0.00 -1.58 0.00 0.00 32.23 31.30 2oqp h LYS 74 CO -0.89 -0.21 0.43 1.25 -1.08 0.00 0.00 179.45 178.95 2oqp h LEU 75 N -0.44 0.15 -4.44 2.94 5.85 0.87 0.34 115.31 120.57 2oqp h LEU 75 Ca -0.03 0.27 -0.40 0.00 0.84 0.00 0.00 57.88 58.55 2oqp h LEU 75 Cb 0.25 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2oqp h LEU 75 CO 0.06 -0.42 1.41 1.17 -0.34 0.00 0.00 178.44 180.32 2oqp n LYS 76 N -5.31 2.75 -2.16 1.25 0.00 0.52 -4.46 118.16 110.74 2oqp n LYS 76 Ca 0.35 -1.55 -0.27 0.00 0.00 0.00 0.00 58.31 56.83 2oqp n LYS 76 Cb 1.18 -2.34 0.05 0.00 0.00 0.00 0.00 35.03 33.92 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2oqp s ARG 77 N 1.39 2.58 -0.05 1.64 6.06 0.12 -4.89 118.95 125.79 2oqp s ARG 77 Ca 0.68 0.05 -0.01 0.00 -2.50 0.00 0.00 55.73 53.94 2oqp s ARG 77 Cb 0.26 -2.14 -0.04 0.00 0.06 0.00 0.00 34.95 33.09 2oqp s ARG 77 CO -0.03 -1.05 0.03 0.15 -2.50 0.00 0.00 175.30 171.90 2oqp s LYS 78 N -5.23 3.00 1.02 5.12 -0.14 -1.26 -4.87 119.74 117.38 2oqp s LYS 78 Ca 0.58 -0.44 -0.16 0.00 -1.36 0.00 0.00 55.97 54.59 2oqp s LYS 78 Cb -0.11 -2.82 0.21 0.00 -1.68 0.00 0.00 37.83 33.43 2oqp s LYS 78 CO 0.47 0.68 1.19 -1.25 -0.76 0.00 0.00 175.35 175.68 2oqp s PRO 79 N -1.22 0.23 0.00 -1.68 0.04 -1.26 -5.06 135.00 126.05 2oqp s PRO 79 Ca 0.17 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2oqp s PRO 79 Cb -0.12 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2oqp s PRO 79 CO 0.07 -2.75 0.06 -0.35 0.04 0.00 0.00 177.00 174.07 2oqp n PRO 80 N -4.08 0.00 -1.46 0.56 -0.04 -1.26 -4.30 135.00 124.41 2oqp n PRO 80 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2oqp n PRO 80 Cb 0.59 -0.36 -0.05 0.00 -0.04 0.00 0.00 33.50 33.64 2oqp n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2oqp n SER 81 N -0.24 7.76 -3.05 3.54 7.64 -1.26 -4.76 113.62 123.25 2oqp n SER 81 Ca 0.00 -2.77 -0.26 0.00 1.01 0.00 0.00 58.87 56.85 2oqp n SER 81 Cb 0.00 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 61.77 2oqp n SER 81 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2oqp n THR 82 N 2.62 -2.67 0.00 0.44 -1.04 -1.26 0.68 114.28 113.05 2oqp n THR 82 Ca 0.65 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2oqp n THR 82 Cb 0.38 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 2oqp n THR 82 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2oqp n ASN 83 N -0.48 0.00 0.00 8.00 5.15 -1.26 -2.00 115.26 124.67 2oqp n ASN 83 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 2oqp n ASN 83 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2oqp n ALA 84 N 0.00 2.85 0.00 5.20 0.00 -0.35 -2.83 120.51 125.39 2oqp n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oqp n ALA 84 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2oqp n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqp n GLY 85 N 2.08 1.24 4.38 0.00 0.00 0.21 -4.72 105.19 108.39 2oqp n GLY 85 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2oqp n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqp n ARG 86 N 0.00 -0.90 -1.16 1.61 1.74 -1.26 -4.71 116.66 111.97 2oqp n ARG 86 Ca 0.00 0.59 -0.36 0.00 -0.77 0.00 0.00 57.85 57.32 2oqp n ARG 86 Cb 0.00 -1.10 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 2oqp n ARG 86 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2oqp n ARG 87 N -2.16 0.15 -2.54 5.56 0.00 -1.26 -4.40 116.66 112.02 2oqp n ARG 87 Ca 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 57.85 57.90 2oqp n ARG 87 Cb 0.20 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 2oqp n ARG 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2oqp n GLN 88 N -0.28 -4.73 -0.45 -0.14 6.02 -1.26 -4.68 117.38 111.86 2oqp n GLN 88 Ca 0.08 3.51 0.38 0.00 -0.01 0.00 0.00 57.00 60.97 2oqp n GLN 88 Cb 0.51 -4.87 0.66 0.00 1.02 0.00 0.00 30.24 27.56 2oqp n GLN 88 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2oqp h LYS 89 N 4.22 0.03 0.00 -1.09 -0.00 -1.87 -3.43 116.57 114.43 2oqp h LYS 89 Ca -0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 2oqp h LYS 89 Cb 0.88 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.10 2oqp h LYS 89 CO 0.01 0.02 0.00 1.58 -0.00 0.00 0.00 179.45 181.06 2oqp n HIS 90 N -4.79 0.00 -1.62 0.07 -0.00 -1.26 -4.52 115.22 103.10 2oqp n HIS 90 Ca 0.39 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.42 2oqp n HIS 90 Cb 1.49 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 31.25 2oqp n HIS 90 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2oqp s ARG 91 N 0.00 1.20 0.38 1.57 0.52 -1.26 -4.77 118.95 116.59 2oqp s ARG 91 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 2oqp s ARG 91 Cb 0.00 -4.99 0.00 0.00 0.52 0.00 0.00 34.95 30.48 2oqp s ARG 91 CO 0.00 -5.48 0.00 1.47 0.02 0.00 0.00 175.30 171.31 2oqp n LEU 92 N 19.60 0.00 0.00 2.53 -0.00 -1.26 -4.78 117.00 133.09 2oqp n LEU 92 Ca 0.42 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 56.26 2oqp n LEU 92 Cb 0.47 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.99 2oqp n LEU 92 CO 0.60 -0.25 0.45 0.35 -0.00 0.00 0.00 177.39 178.54 2oqp n THR 93 N -0.32 0.00 0.00 1.47 -2.24 -1.26 -4.85 114.28 107.08 2oqp n THR 93 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2oqp n THR 93 Cb 0.00 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 -1.49 4.40 0.26 0.00 0.04 -1.26 -5.03 135.00 131.92 2oqp s PRO 95 Ca 0.00 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 2oqp s PRO 95 Cb 0.00 -3.45 0.06 0.00 0.04 0.00 0.00 34.50 31.15 2oqp s PRO 95 CO 0.00 -0.34 0.35 0.43 0.04 0.00 0.00 177.00 177.49 2oqp n SER 96 N 4.52 0.12 -4.45 6.66 7.64 -1.26 -4.97 113.62 121.88 2oqp n SER 96 Ca 0.10 -1.19 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 2oqp n SER 96 Cb 0.46 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ASP 98 N 7.30 0.00 0.20 0.00 -0.08 -1.26 -4.94 116.55 117.77 2oqp n ASP 98 Ca 0.04 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.49 2oqp n ASP 98 Cb 0.46 0.00 0.81 0.00 2.34 0.00 0.00 41.12 44.73 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 0.00 -4.16 1.67 0.87 -1.97 -3.41 113.55 106.55 2oqp h SER 99 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 2oqp h SER 99 Cb 0.00 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.73 2oqp h SER 99 CO 0.00 0.00 -0.84 -0.72 -0.53 0.00 0.00 176.83 174.74 2oqp s TYR 100 N -4.70 1.90 0.00 2.24 -0.85 -1.26 -5.15 117.35 109.53 2oqp s TYR 100 Ca -0.05 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2oqp s TYR 100 Cb 0.16 -1.07 0.00 0.00 0.38 0.00 0.00 41.96 41.43 2oqp s TYR 100 CO 0.57 0.20 0.00 -1.91 -1.52 0.00 0.00 175.55 172.89 2oqp n GLU 101 N 1.26 0.50 -0.02 -3.49 2.13 -1.26 -4.94 120.64 114.82 2oqp n GLU 101 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 2oqp n GLU 101 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2oqp n LYS 102 N -0.41 1.27 -3.63 5.31 4.76 -1.26 -4.40 118.16 119.80 2oqp n LYS 102 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 2oqp n LYS 102 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 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 0.22 0.50 1.00 1.97 1.02 -0.37 -4.82 119.74 119.26 2oqp s LYS 103 Ca 0.00 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 55.58 2oqp s LYS 103 Cb 0.00 0.18 0.19 0.00 -0.52 0.00 0.00 37.83 37.68 2oqp s LYS 103 CO 0.00 -0.23 1.18 -1.25 -0.92 0.00 0.00 175.35 174.13 2oqp s PRO 104 N -2.57 0.42 -0.02 -1.68 0.04 -1.26 -2.90 135.00 127.03 2oqp s PRO 104 Ca 0.13 0.02 -0.23 0.00 0.04 0.00 0.00 61.00 60.96 2oqp s PRO 104 Cb 0.03 -1.78 -0.22 0.00 0.04 0.00 0.00 34.50 32.56 2oqp s PRO 104 CO -0.03 -2.63 1.09 -1.00 0.04 0.00 0.00 177.00 174.46 2oqp h PRO 105 N -1.81 0.26 -0.87 0.56 0.13 -1.85 0.16 132.00 128.58 2oqp h PRO 105 Ca -0.48 -0.25 0.15 0.00 -0.87 0.00 0.00 66.00 64.56 2oqp h PRO 105 Cb 1.30 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 2oqp h PRO 105 CO 0.49 0.94 0.45 1.57 -0.23 0.00 0.00 178.00 181.23 2oqp h LYS 106 N -0.33 0.61 0.00 0.86 2.10 -1.96 0.34 116.57 118.20 2oqp h LYS 106 Ca -0.04 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2oqp h LYS 106 Cb 1.04 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2oqp h LYS 106 CO 0.07 0.41 -0.06 0.93 -2.00 0.00 0.00 179.45 178.79 2oqp h GLU 107 N 0.63 0.04 -0.99 0.07 4.39 -1.95 -0.65 114.58 116.12 2oqp h GLU 107 Ca 0.48 -0.04 0.25 0.00 0.34 0.00 0.00 59.36 60.38 2oqp h GLU 107 Cb 0.69 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 2oqp h GLU 107 CO -0.37 0.85 0.66 0.35 -1.16 0.00 0.00 179.01 179.34 2oqp h PHE 108 N -0.75 0.53 0.17 4.33 3.57 0.10 0.22 116.94 125.11 2oqp h PHE 108 Ca -0.01 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.23 2oqp h PHE 108 Cb 0.87 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 39.47 2oqp h PHE 108 CO 0.21 0.09 -1.30 -0.07 -2.23 0.00 0.00 178.31 175.00 2oqp h LEU 109 N 0.35 0.55 -2.29 0.59 -0.00 -0.38 -1.48 115.31 112.65 2oqp h LEU 109 Ca 0.54 -0.91 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 2oqp h LEU 109 Cb 1.45 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2oqp h LEU 109 CO -0.22 1.60 0.20 -0.08 -0.00 0.00 0.00 178.44 179.95 2oqp h GLU 110 N -0.16 0.00 0.03 1.13 4.81 0.74 -1.32 114.58 119.81 2oqp h GLU 110 Ca -0.25 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.64 2oqp h GLU 110 Cb 1.87 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.21 2oqp h GLU 110 CO 0.16 0.00 -1.87 0.54 -0.73 0.00 0.00 179.01 177.10 2oqp n ARG 111 N -3.54 0.62 -0.06 1.92 5.12 0.54 -3.95 116.66 117.32 2oqp n ARG 111 Ca 0.01 0.39 -0.13 0.00 -1.93 0.00 0.00 57.85 56.18 2oqp n ARG 111 Cb 0.31 -1.65 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2oqp h PHE 112 N -0.66 -1.48 -0.83 -1.55 3.04 -0.54 0.85 116.94 115.76 2oqp h PHE 112 Ca -0.48 0.06 0.18 0.00 3.98 0.00 0.00 57.97 61.72 2oqp h PHE 112 Cb 1.60 0.68 -0.11 0.00 2.56 0.00 0.00 35.95 40.68 2oqp h PHE 112 CO 0.04 -0.50 0.33 -0.22 -2.02 0.00 0.00 178.31 175.94 2oqp h LYS 113 N -0.48 0.40 0.51 1.11 3.11 -1.49 0.35 116.57 120.08 2oqp h LYS 113 Ca 0.07 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2oqp h LYS 113 Cb 0.64 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2oqp h LYS 113 CO -0.49 0.26 -0.25 0.66 -2.81 0.00 0.00 179.45 176.83 2oqp h SER 114 N 0.41 -0.58 -0.80 4.20 4.64 -0.99 -0.83 113.55 119.60 2oqp h SER 114 Ca 0.49 -0.05 0.16 0.00 -0.47 0.00 0.00 61.79 61.92 2oqp h SER 114 Cb 0.85 0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 62.94 2oqp h SER 114 CO -0.48 -0.30 -0.23 0.25 -0.87 0.00 0.00 176.83 175.19 2oqp h LEU 115 N -0.85 -0.85 0.38 5.97 7.12 0.20 1.54 115.31 128.82 2oqp h LEU 115 Ca -0.07 0.25 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 2oqp h LEU 115 Cb 0.59 0.53 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 2oqp h LEU 115 CO 0.12 -0.27 -0.33 -0.07 -0.13 0.00 0.00 178.44 177.75 2oqp h LEU 116 N -0.02 -0.87 0.00 2.25 3.38 -0.84 0.13 115.31 119.34 2oqp h LEU 116 Ca 0.37 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2oqp h LEU 116 Cb 0.59 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2oqp h LEU 116 CO -0.83 -0.48 0.00 0.00 0.09 0.00 0.00 178.44 177.22 2oqp n GLN 117 N -5.45 0.08 0.00 1.13 1.13 0.51 0.10 117.38 114.89 2oqp n GLN 117 Ca -0.10 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2oqp n GLN 117 Cb 0.35 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2oqp n LYS 118 N -1.34 0.00 -0.06 -1.09 4.81 0.50 -4.52 118.16 116.46 2oqp n LYS 118 Ca 0.03 0.44 -0.06 0.00 -0.87 0.00 0.00 58.31 57.86 2oqp n LYS 118 Cb 0.07 -0.94 -0.02 0.00 0.02 0.00 0.00 35.03 34.16 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 -2.03 0.37 -0.13 1.64 1.56 -0.52 -4.21 117.12 113.81 2oqp n MET 119 Ca 0.00 0.23 -0.03 0.00 -0.27 0.00 0.00 57.70 57.63 2oqp n MET 119 Cb 0.00 -1.25 -0.03 0.00 2.15 0.00 0.00 33.22 34.09 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 -3.94 -0.20 -0.34 1.12 -0.00 -0.44 0.13 119.36 115.69 2oqp n ILE 120 Ca -0.09 1.42 0.01 0.00 -0.00 0.00 0.00 62.75 64.09 2oqp n ILE 120 Cb 0.33 -1.83 0.06 0.00 -0.00 0.00 0.00 39.64 38.20 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 -3.62 0.11 -0.39 1.39 -0.00 0.28 0.22 115.22 113.20 2oqp n HIS 121 Ca 0.01 1.09 0.33 0.00 -0.00 0.00 0.00 57.72 59.15 2oqp n HIS 121 Cb 0.08 -0.89 0.54 0.00 -0.00 0.00 0.00 29.99 29.72 2oqp n HIS 121 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2oqp n GLN 122 N -5.35 -0.02 -0.34 1.57 1.13 0.35 0.13 117.38 114.85 2oqp n GLN 122 Ca 0.11 0.94 0.17 0.00 -1.94 0.00 0.00 57.00 56.28 2oqp n GLN 122 Cb 0.38 -1.90 0.33 0.00 0.11 0.00 0.00 30.24 29.16 2oqp n GLN 122 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2oqp n HIS 123 N -4.10 0.70 -0.08 1.08 -0.00 0.58 -1.19 115.22 112.21 2oqp n HIS 123 Ca 0.32 1.18 -0.23 0.00 -0.00 0.00 0.00 57.72 58.99 2oqp n HIS 123 Cb 1.27 -1.29 -0.12 0.00 -0.00 0.00 0.00 29.99 29.85 2oqp n HIS 123 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2oqp n LEU 124 N -5.44 2.15 -2.19 0.27 7.94 0.34 -5.08 117.00 114.99 2oqp n LEU 124 Ca 0.25 0.32 -0.02 0.00 -1.11 0.00 0.00 56.01 55.45 2oqp n LEU 124 Cb 0.83 -0.98 -0.02 0.00 0.53 0.00 0.00 43.42 43.78 2oqp n LEU 124 CO -0.06 0.52 -0.45 -1.20 -1.11 0.00 0.00 177.39 175.09 2oqp n SER 125 N -4.08 -5.08 0.11 1.96 7.64 -0.33 -5.04 113.62 108.80 2oqp n SER 125 Ca -0.37 1.32 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2oqp n SER 125 Cb 0.83 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2oqp n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2oqp n SER 126 N 1.41 -2.01 -0.93 6.43 2.88 -1.26 -5.07 113.62 115.08 2oqp n SER 126 Ca -0.14 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2oqp n SER 126 Cb 0.21 2.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2oqp n ARG 127 N -2.93 -2.04 -2.72 -1.46 0.63 -1.26 -5.05 116.66 101.82 2oqp n ARG 127 Ca 0.00 1.64 -0.08 0.00 -0.92 0.00 0.00 57.85 58.49 2oqp n ARG 127 Cb 0.00 -1.58 0.09 0.00 0.45 0.00 0.00 32.46 31.42 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 0.37 0.00 -2.02 5.15 -1.04 -1.26 -5.15 114.28 110.34 2oqp n THR 128 Ca 0.00 -1.40 -0.29 0.00 -2.04 0.00 0.00 64.05 60.33 2oqp n THR 128 Cb 0.00 1.45 0.14 0.00 -1.82 0.00 0.00 70.33 70.10 2oqp n THR 128 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2oqp s HIS 129 N 0.28 2.08 0.00 -1.42 5.04 -1.26 -5.09 115.29 114.92 2oqp s HIS 129 Ca 0.23 0.38 0.00 0.00 -1.54 0.00 0.00 55.06 54.13 2oqp s HIS 129 Cb 0.28 -3.76 0.00 0.00 0.04 0.00 0.00 32.58 29.15 2oqp s HIS 129 CO -0.09 -2.21 0.00 0.41 -2.34 0.00 0.00 174.74 170.52 2oqp n GLY 130 N -3.47 1.14 3.79 1.59 0.00 -1.26 -5.18 105.19 101.80 2oqp n GLY 130 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.62 -0.28 -0.24 1.61 0.15 -1.26 -5.15 113.70 109.15 2oqp s SER 131 Ca 0.00 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 2oqp s SER 131 Cb 0.00 0.67 -0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2oqp s SER 131 CO 0.00 -1.22 -0.01 -0.70 1.20 0.00 0.00 173.24 172.50 2oqp s GLU 132 N -3.78 3.25 0.14 5.44 2.56 -1.26 -4.99 118.70 120.06 2oqp s GLU 132 Ca 0.10 -0.72 -0.20 0.00 0.00 0.00 0.00 54.97 54.15 2oqp s GLU 132 Cb -0.05 -3.10 0.02 0.00 2.00 0.00 0.00 34.13 33.00 2oqp s GLU 132 CO 0.04 -0.28 1.68 -0.44 -0.56 0.00 0.00 175.26 175.69 2oqp h ASP 133 N 8.13 -0.37 0.00 -1.70 3.32 -2.10 -3.58 116.42 120.12 2oqp h ASP 133 Ca -0.38 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2oqp h ASP 133 Cb 1.15 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2oqp h ASP 133 CO 0.60 -0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 176.78