#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 0.23 0.00 2.12 -2.07 -1.26 -5.00 119.66 113.68 2oqp s GLN 2 Ca 0.00 0.46 0.00 0.00 -1.82 0.00 0.00 55.36 54.00 2oqp s GLN 2 Cb 0.00 -0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.88 2oqp s GLN 2 CO 0.00 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 2oqp n GLY 3 N 3.81 -1.65 3.18 2.60 0.00 -1.26 -5.08 105.19 106.79 2oqp n GLY 3 Ca -0.21 0.58 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 2oqp n GLY 3 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2oqp n GLN 4 N 0.00 -2.04 -4.35 1.61 7.27 -1.26 -4.98 117.38 113.63 2oqp n GLN 4 Ca 0.00 1.71 -0.34 0.00 0.07 0.00 0.00 57.00 58.44 2oqp n GLN 4 Cb 0.00 -4.18 -0.12 0.00 2.41 0.00 0.00 30.24 28.35 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2oqp s ASP 5 N -2.30 4.93 0.58 1.69 1.11 -1.26 -4.96 116.67 116.46 2oqp s ASP 5 Ca 0.25 -0.09 0.35 0.00 0.18 0.00 0.00 52.55 53.23 2oqp s ASP 5 Cb -0.05 -1.80 1.31 0.00 1.07 0.00 0.00 42.92 43.46 2oqp s ASP 5 CO 0.82 0.18 1.54 0.03 1.18 0.00 0.00 175.17 178.91 2oqp h ARG 6 N 6.64 0.00 0.00 8.23 3.08 -1.97 1.27 114.38 131.64 2oqp h ARG 6 Ca -0.33 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 2oqp h ARG 6 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2oqp h ARG 6 CO 0.64 0.00 -0.73 0.45 -1.07 0.00 0.00 179.97 179.26 2oqp h HIS 7 N 0.00 0.00 -0.30 3.04 3.86 -1.98 -2.41 115.15 117.36 2oqp h HIS 7 Ca 0.57 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.87 2oqp h HIS 7 Cb 2.78 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 31.24 2oqp h HIS 7 CO 0.00 0.76 0.25 1.98 0.86 0.00 0.00 177.93 181.77 2oqp h MET 8 N -1.00 0.00 0.00 2.45 1.85 -0.85 0.26 114.93 117.64 2oqp h MET 8 Ca -0.15 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.79 2oqp h MET 8 Cb 0.86 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.86 2oqp h MET 8 CO -0.09 0.00 -1.23 -0.84 -0.40 0.00 0.00 176.91 174.34 2oqp h ILE 9 N 0.00 0.53 -0.93 1.77 -0.00 0.13 -2.86 117.51 116.16 2oqp h ILE 9 Ca 0.14 -1.98 0.16 0.00 -0.00 0.00 0.00 64.86 63.18 2oqp h ILE 9 Cb 0.63 2.07 -0.08 0.00 -0.00 0.00 0.00 36.82 39.44 2oqp h ILE 9 CO -0.00 0.30 0.59 -0.09 -0.00 0.00 0.00 178.15 178.96 2oqp h ARG 10 N 0.00 0.66 0.05 0.16 9.65 0.06 0.44 114.38 125.40 2oqp h ARG 10 Ca -0.13 -0.04 -0.34 0.00 -1.10 0.00 0.00 59.98 58.37 2oqp h ARG 10 Cb 1.52 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.91 2oqp h ARG 10 CO 0.05 0.44 -1.94 0.00 2.80 0.00 0.00 179.97 181.32 2oqp n MET 11 N -4.60 0.65 -0.27 0.20 0.00 -1.15 -3.42 117.12 108.54 2oqp n MET 11 Ca 0.19 0.34 0.05 0.00 0.00 0.00 0.00 57.70 58.28 2oqp n MET 11 Cb 0.52 -1.66 0.19 0.00 0.00 0.00 0.00 33.22 32.27 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 -0.45 0.55 0.17 3.17 2.43 -1.24 -1.20 114.38 117.80 2oqp h ARG 12 Ca -0.47 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2oqp h ARG 12 Cb 1.71 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2oqp h ARG 12 CO -0.12 0.36 -0.08 1.96 -1.51 0.00 0.00 179.97 180.58 2oqp h GLN 13 N 0.56 -0.22 -0.87 0.20 1.08 -0.31 0.95 115.11 116.51 2oqp h GLN 13 Ca 0.41 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.79 2oqp h GLN 13 Cb 0.56 0.05 -0.16 0.00 -0.05 0.00 0.00 27.48 27.88 2oqp h GLN 13 CO -0.35 0.11 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.31 2oqp h LEU 14 N -0.57 -0.95 -0.86 1.46 -0.00 -1.39 1.95 115.31 114.95 2oqp h LEU 14 Ca -0.02 0.27 -0.12 0.00 -0.00 0.00 0.00 57.88 58.01 2oqp h LEU 14 Cb 0.43 0.58 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2oqp h LEU 14 CO 0.04 -0.29 -0.47 0.40 -0.00 0.00 0.00 178.44 178.11 2oqp h ILE 15 N -0.02 1.34 0.42 1.22 5.03 -1.18 -1.64 117.51 122.67 2oqp h ILE 15 Ca 0.39 -1.67 -0.02 0.00 -0.12 0.00 0.00 64.86 63.44 2oqp h ILE 15 Cb 0.63 1.80 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 2oqp h ILE 15 CO -0.89 0.50 -0.20 -0.78 -0.68 0.00 0.00 178.15 176.09 2oqp h ASP 16 N 0.18 -0.48 -0.45 1.72 1.82 0.50 -1.45 116.42 118.26 2oqp h ASP 16 Ca 0.01 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 56.75 2oqp h ASP 16 Cb 0.91 0.12 -0.10 0.00 0.68 0.00 0.00 39.33 40.94 2oqp h ASP 16 CO 0.07 -0.27 -0.33 0.16 -1.61 0.00 0.00 179.24 177.27 2oqp h ILE 17 N -0.71 0.21 -0.44 2.25 -0.00 0.20 1.37 117.51 120.39 2oqp h ILE 17 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 64.86 64.85 2oqp h ILE 17 Cb 0.43 0.21 -0.07 0.00 -0.00 0.00 0.00 36.82 37.39 2oqp h ILE 17 CO 0.09 0.00 -0.42 0.58 -0.00 0.00 0.00 178.15 178.40 2oqp h VAL 18 N -0.23 0.00 -0.94 0.16 2.07 -1.33 0.97 116.25 116.94 2oqp h VAL 18 Ca 0.19 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 2oqp h VAL 18 Cb 0.54 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2oqp h VAL 18 CO -0.57 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 176.84 2oqp h ASP 19 N -0.21 0.99 -0.75 0.57 3.58 -0.14 0.54 116.42 121.00 2oqp h ASP 19 Ca 0.07 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.63 2oqp h ASP 19 Cb 0.40 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.17 2oqp h ASP 19 CO -0.52 0.65 0.39 -0.61 -2.88 0.00 0.00 179.24 176.26 2oqp h GLN 20 N 1.14 0.63 0.03 0.28 4.15 0.56 1.06 115.11 122.96 2oqp h GLN 20 Ca 0.40 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.53 2oqp h GLN 20 Cb 0.10 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.65 2oqp h GLN 20 CO -0.15 0.42 -1.03 1.37 -1.93 0.00 0.00 178.83 177.51 2oqp h LEU 21 N 0.65 0.62 -1.07 -2.39 8.10 0.20 -3.16 115.31 118.26 2oqp h LEU 21 Ca 0.37 -0.52 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2oqp h LEU 21 Cb 0.39 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.39 2oqp h LEU 21 CO -0.27 1.33 0.19 0.50 -4.11 0.00 0.00 178.44 176.08 2oqp h LYS 22 N 0.24 0.86 0.00 0.17 3.64 0.13 0.64 116.57 122.25 2oqp h LYS 22 Ca -0.11 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2oqp h LYS 22 Cb 1.68 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2oqp h LYS 22 CO 0.18 0.73 0.00 -1.71 -2.27 0.00 0.00 179.45 176.39 2oqp n ASN 23 N -4.30 0.39 -0.65 4.20 5.15 0.36 -1.11 115.26 119.30 2oqp n ASN 23 Ca 0.05 0.64 0.05 0.00 -0.60 0.00 0.00 54.58 54.71 2oqp n ASN 23 Cb 0.19 -0.71 0.20 0.00 -0.53 0.00 0.00 39.78 38.94 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2oqp n TYR 24 N -1.98 0.18 -0.14 1.20 4.01 0.19 -4.74 117.16 115.87 2oqp n TYR 24 Ca 0.01 -1.48 0.28 0.00 -0.16 0.00 0.00 57.90 56.55 2oqp n TYR 24 Cb 0.11 -0.28 0.65 0.00 -0.31 0.00 0.00 39.34 39.51 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2oqp h VAL 25 N 0.94 0.23 -0.03 -0.72 3.04 -0.78 1.54 116.25 120.47 2oqp h VAL 25 Ca 0.03 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.73 2oqp h VAL 25 Cb 1.11 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2oqp h VAL 25 CO 0.06 0.00 0.25 -1.13 -1.01 0.00 0.00 177.57 175.74 2oqp h ASN 26 N 0.00 0.00 -0.98 3.17 -0.73 -1.85 0.36 115.58 115.54 2oqp h ASN 26 Ca 0.41 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.99 2oqp h ASN 26 Cb 2.08 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 40.28 2oqp h ASN 26 CO -0.00 0.00 -0.42 0.47 -0.37 0.00 0.00 177.43 177.11 2oqp n ASP 27 N -3.01 5.51 -4.13 1.15 9.92 0.53 -4.80 116.55 121.71 2oqp n ASP 27 Ca -0.02 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.79 50.18 2oqp n ASP 27 Cb 0.31 -0.51 -0.17 0.00 -0.64 0.00 0.00 41.12 40.12 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 1.97 -0.16 0.64 1.43 0.12 -2.29 118.68 116.75 2oqp s LEU 28 Ca 0.53 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 2oqp s LEU 28 Cb 0.43 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 2oqp s LEU 28 CO -0.03 0.05 0.47 0.54 0.23 0.00 0.00 176.35 177.61 2oqp s VAL 29 N 0.90 5.17 -0.59 -1.59 0.11 -0.33 -4.26 120.40 119.82 2oqp s VAL 29 Ca -0.06 0.90 -0.27 0.00 -2.93 0.00 0.00 61.98 59.61 2oqp s VAL 29 Cb -0.15 -3.80 0.01 0.00 -1.53 0.00 0.00 36.38 30.90 2oqp s VAL 29 CO -0.02 0.28 1.51 -2.16 -3.33 0.00 0.00 175.10 171.37 2oqp s PRO 30 N 1.00 3.14 0.21 1.54 0.04 -1.26 -4.66 135.00 135.01 2oqp s PRO 30 Ca 0.24 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.77 2oqp s PRO 30 Cb -0.15 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 2oqp s PRO 30 CO 0.09 -2.13 -0.06 -2.00 0.04 0.00 0.00 177.00 172.94 2oqp s GLU 31 N 5.88 1.27 -0.75 4.56 2.56 -1.26 -5.04 118.70 125.93 2oqp s GLU 31 Ca 0.54 -1.60 -0.26 0.00 0.00 0.00 0.00 54.97 53.65 2oqp s GLU 31 Cb -0.11 -0.77 -0.07 0.00 2.00 0.00 0.00 34.13 35.17 2oqp s GLU 31 CO 0.23 0.02 2.15 -0.06 -0.56 0.00 0.00 175.26 177.04 2oqp s PHE 32 N -3.27 1.44 -0.16 5.30 0.08 -1.26 -4.56 117.98 115.55 2oqp s PHE 32 Ca 0.24 1.25 -0.03 0.00 0.12 0.00 0.00 56.93 58.51 2oqp s PHE 32 Cb 0.03 -3.78 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 2oqp s PHE 32 CO 0.06 -1.92 -0.05 -0.51 -0.10 0.00 0.00 175.22 172.69 2oqp s LEU 33 N 11.75 3.10 0.07 -0.37 1.02 -0.98 -4.91 118.68 128.36 2oqp s LEU 33 Ca 0.81 -0.20 -0.30 0.00 0.02 0.00 0.00 54.13 54.45 2oqp s LEU 33 Cb -0.11 -1.74 -0.06 0.00 0.02 0.00 0.00 46.19 44.30 2oqp s LEU 33 CO 0.10 0.14 1.16 -2.16 0.02 0.00 0.00 176.35 175.62 2oqp s PRO 34 N 0.52 4.47 -0.19 1.29 0.04 -1.26 0.87 135.00 140.73 2oqp s PRO 34 Ca -0.04 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 2oqp s PRO 34 Cb -0.15 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 31.11 2oqp s PRO 34 CO 0.03 -0.19 0.05 0.00 0.04 0.00 0.00 177.00 176.92 2oqp s ALA 35 N 0.89 0.91 0.46 8.56 0.00 -1.19 -4.73 121.76 126.66 2oqp s ALA 35 Ca 0.57 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 2oqp s ALA 35 Cb -0.29 -1.17 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 2oqp s ALA 35 CO 0.30 -1.19 1.04 -1.25 0.00 0.00 0.00 175.76 174.66 2oqp s PRO 36 N 1.90 3.93 -0.06 0.00 0.04 -1.26 -4.63 135.00 134.93 2oqp s PRO 36 Ca -0.00 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 2oqp s PRO 36 Cb -0.17 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.14 2oqp s PRO 36 CO -0.09 -0.33 0.14 -2.00 0.04 0.00 0.00 177.00 174.76 2oqp s GLU 37 N -2.98 0.15 0.00 4.56 -6.30 -1.26 -4.80 118.70 108.07 2oqp s GLU 37 Ca 0.64 0.24 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 2oqp s GLU 37 Cb -0.18 0.02 0.00 0.00 0.00 0.00 0.00 34.13 33.97 2oqp s GLU 37 CO 0.22 -0.05 0.00 -3.47 0.02 0.00 0.00 175.26 171.98 2oqp n ASP 38 N 3.29 -0.97 -4.34 -1.70 2.03 -1.26 -4.97 116.55 108.62 2oqp n ASP 38 Ca -0.16 0.00 -0.57 0.00 0.52 0.00 0.00 54.79 54.58 2oqp n ASP 38 Cb 0.57 -0.16 -0.08 0.00 -0.72 0.00 0.00 41.12 40.73 2oqp n ASP 38 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2oqp n VAL 39 N -2.32 0.03 -0.94 5.18 0.24 -1.26 -4.82 118.33 114.43 2oqp n VAL 39 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 2oqp n VAL 39 Cb 0.00 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.49 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 1.44 -0.09 -0.32 7.34 2.13 -1.26 -4.51 120.64 125.37 2oqp n GLU 40 Ca 0.19 0.03 0.18 0.00 0.66 0.00 0.00 57.16 58.22 2oqp n GLU 40 Cb 0.08 -2.03 0.36 0.00 0.27 0.00 0.00 31.44 30.12 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 -1.22 0.22 -0.96 6.31 2.02 -2.04 1.43 112.91 118.66 2oqp h THR 41 Ca -0.44 -0.06 -0.64 0.00 0.77 0.00 0.00 66.41 66.04 2oqp h THR 41 Cb 1.30 0.04 -0.30 0.00 -1.74 0.00 0.00 68.15 67.44 2oqp h THR 41 CO 0.39 0.03 0.67 0.59 0.37 0.00 0.00 175.52 177.57 2oqp n ASN 42 N -5.25 6.98 0.00 4.18 3.02 -1.26 -4.16 115.26 118.77 2oqp n ASN 42 Ca 0.26 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.04 2oqp n ASN 42 Cb 0.83 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.36 -0.00 0.00 0.00 1.02 -1.01 0.16 120.64 118.44 2oqp n GLU 44 Ca 0.00 0.99 -0.05 0.00 -0.02 0.00 0.00 57.16 58.08 2oqp n GLU 44 Cb 0.47 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.11 0.00 -0.32 4.06 -1.86 -2.94 115.95 114.78 2oqp h TRP 45 Ca 0.85 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.80 2oqp h TRP 45 Cb 3.38 0.04 0.00 0.00 -1.00 0.00 0.00 29.16 31.58 2oqp h TRP 45 CO -0.00 0.11 0.28 0.77 -3.56 0.00 0.00 178.44 176.04 2oqp h SER 46 N -1.01 0.00 1.41 -3.49 0.02 0.13 1.36 113.55 111.98 2oqp h SER 46 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2oqp h SER 46 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2oqp h SER 46 CO 0.02 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.11 2oqp h ALA 47 N 1.43 0.69 0.19 3.77 0.00 0.28 -3.33 119.26 122.29 2oqp h ALA 47 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2oqp h ALA 47 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2oqp h ALA 47 CO 0.00 0.59 -0.28 0.35 0.00 0.00 0.00 179.25 179.92 2oqp h PHE 48 N 0.00 -0.74 -0.07 0.00 3.04 0.20 0.13 116.94 119.50 2oqp h PHE 48 Ca -0.03 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.95 2oqp h PHE 48 Cb 1.37 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 40.18 2oqp h PHE 48 CO 0.00 -0.39 0.23 0.66 -2.02 0.00 0.00 178.31 176.79 2oqp h SER 49 N -0.54 0.00 0.01 0.41 4.64 -1.67 0.29 113.55 116.69 2oqp h SER 49 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2oqp h SER 49 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2oqp h SER 49 CO -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.84 2oqp h PHE 51 N -0.97 -0.27 0.00 0.00 0.04 0.10 0.25 116.94 116.10 2oqp h PHE 51 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2oqp h PHE 51 Cb 0.78 0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2oqp h PHE 51 CO 0.21 -0.17 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 2oqp n GLN 52 N -5.22 0.11 -0.03 1.51 -0.00 0.83 -0.81 117.38 113.76 2oqp n GLN 52 Ca -0.08 0.55 -0.13 0.00 -0.00 0.00 0.00 57.00 57.34 2oqp n GLN 52 Cb 0.14 -1.82 -0.14 0.00 -0.00 0.00 0.00 30.24 28.42 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 -2.04 0.67 -0.32 2.61 4.81 -0.23 -4.11 118.16 119.55 2oqp n LYS 53 Ca -0.00 0.23 0.30 0.00 -0.87 0.00 0.00 58.31 57.96 2oqp n LYS 53 Cb 0.07 -1.71 0.55 0.00 0.02 0.00 0.00 35.03 33.96 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 0.71 2.08 -3.92 3.14 0.00 0.15 -3.46 119.26 117.96 2oqp h ALA 54 Ca -0.38 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2oqp h ALA 54 Cb 2.05 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 20.09 2oqp h ALA 54 CO 0.06 -0.87 -0.79 0.94 0.00 0.00 0.00 179.25 178.59 2oqp n GLN 55 N -5.23 -2.63 -2.66 0.00 7.27 -1.25 -4.85 117.38 108.03 2oqp n GLN 55 Ca 0.36 2.18 -0.41 0.00 0.07 0.00 0.00 57.00 59.21 2oqp n GLN 55 Cb 1.21 -3.13 -0.04 0.00 2.41 0.00 0.00 30.24 30.68 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 -0.35 4.51 -0.03 1.69 1.98 -1.26 -5.04 118.68 120.18 2oqp s LEU 56 Ca -0.12 1.91 0.03 0.00 -2.89 0.00 0.00 54.13 53.06 2oqp s LEU 56 Cb 0.01 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.26 2oqp s LEU 56 CO 0.32 -0.09 -0.11 -0.75 -1.89 0.00 0.00 176.35 173.83 2oqp s LYS 57 N -0.26 1.16 0.44 1.98 2.47 -1.26 -4.98 119.74 119.29 2oqp s LYS 57 Ca 0.47 -0.39 -0.03 0.00 -1.56 0.00 0.00 55.97 54.46 2oqp s LYS 57 Cb -0.26 -1.06 -0.03 0.00 -1.46 0.00 0.00 37.83 35.02 2oqp s LYS 57 CO 0.32 0.16 0.70 -1.54 0.16 0.00 0.00 175.35 175.15 2oqp s SER 58 N 0.12 6.20 0.28 1.43 1.04 -1.25 -1.19 113.70 120.33 2oqp s SER 58 Ca -0.03 0.70 0.20 0.00 0.48 0.00 0.00 55.95 57.31 2oqp s SER 58 Cb -0.09 -2.09 1.05 0.00 0.10 0.00 0.00 66.02 64.99 2oqp s SER 58 CO 0.01 -0.52 1.61 0.00 0.98 0.00 0.00 173.24 175.32 2oqp n ALA 59 N -2.10 1.13 0.00 5.32 0.00 -0.97 -4.14 120.51 119.75 2oqp n ALA 59 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2oqp n ALA 59 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2oqp n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oqp n ASN 60 N -2.19 0.00 -3.21 0.00 3.02 -1.26 -4.62 115.26 107.01 2oqp n ASN 60 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 2oqp n ASN 60 Cb 0.06 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.00 2.03 0.00 3.41 5.66 -1.26 -4.52 114.28 119.60 2oqp n THR 61 Ca 0.00 -1.26 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 2oqp n THR 61 Cb 0.00 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 66.71 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 3.89 4.68 1.33 1.09 0.00 -1.26 -5.07 105.19 109.85 2oqp n GLY 62 Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2oqp n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oqp n ASN 63 N 0.00 0.00 -2.07 1.61 5.15 -1.26 -4.86 115.26 113.82 2oqp n ASN 63 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 2oqp n ASN 63 Cb 0.00 0.03 -0.08 0.00 -0.53 0.00 0.00 39.78 39.20 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2oqp n ASN 64 N -2.17 5.85 -0.04 1.20 3.02 -1.26 -4.34 115.26 117.53 2oqp n ASN 64 Ca 0.00 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.74 2oqp n ASN 64 Cb 0.00 -1.26 -0.01 0.00 -0.61 0.00 0.00 39.78 37.90 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 2.48 0.00 -0.20 3.52 4.22 -1.89 -2.64 114.58 120.06 2oqp h GLU 65 Ca 0.24 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.74 2oqp h GLU 65 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2oqp h GLU 65 CO 0.49 0.00 0.18 -0.09 -2.18 0.00 0.00 179.01 177.41 2oqp h ARG 66 N -0.61 0.00 -0.00 1.92 9.65 -1.94 -1.31 114.38 122.09 2oqp h ARG 66 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2oqp h ARG 66 Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2oqp h ARG 66 CO 0.00 0.00 -0.01 0.97 2.80 0.00 0.00 179.97 183.73 2oqp h ILE 67 N 0.00 1.59 -1.04 1.20 -0.00 -1.84 -3.19 117.51 114.23 2oqp h ILE 67 Ca 0.09 -1.76 0.30 0.00 -0.00 0.00 0.00 64.86 63.49 2oqp h ILE 67 Cb 0.45 2.78 -0.13 0.00 -0.00 0.00 0.00 36.82 39.93 2oqp h ILE 67 CO -0.00 0.46 0.63 0.40 -0.00 0.00 0.00 178.15 179.64 2oqp h ILE 68 N -0.73 0.40 -0.21 2.19 5.03 -0.87 2.04 117.51 125.36 2oqp h ILE 68 Ca -0.00 -0.14 0.06 0.00 -0.12 0.00 0.00 64.86 64.66 2oqp h ILE 68 Cb 0.76 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.51 2oqp h ILE 68 CO 0.00 0.07 0.47 -1.13 -0.68 0.00 0.00 178.15 176.89 2oqp h ASN 69 N 0.39 0.00 0.48 1.72 -0.73 -1.43 1.49 115.58 117.51 2oqp h ASN 69 Ca 0.69 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.67 2oqp h ASN 69 Cb 1.60 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.18 2oqp h ASN 69 CO -0.48 0.00 -0.82 -0.37 -0.37 0.00 0.00 177.43 175.39 2oqp h VAL 70 N 0.00 1.45 0.00 2.57 -1.51 0.32 -2.76 116.25 116.31 2oqp h VAL 70 Ca 0.10 -2.43 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 2oqp h VAL 70 Cb 1.05 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 2oqp h VAL 70 CO -0.00 0.71 0.00 -1.20 -1.23 0.00 0.00 177.57 175.85 2oqp n SER 71 N -3.73 0.23 0.09 4.19 7.64 0.51 -3.52 113.62 119.02 2oqp n SER 71 Ca -0.04 0.53 -0.05 0.00 1.01 0.00 0.00 58.87 60.33 2oqp n SER 71 Cb 0.76 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.00 -0.45 0.44 1.08 -1.12 -1.09 117.51 116.36 2oqp h ILE 72 Ca 0.00 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 2oqp h ILE 72 Cb 0.45 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 2oqp h ILE 72 CO 0.00 0.00 -0.27 0.11 -0.69 0.00 0.00 178.15 177.30 2oqp h LYS 73 N -1.00 -0.01 0.28 2.37 1.79 -1.59 0.74 116.57 119.15 2oqp h LYS 73 Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2oqp h LYS 73 Cb 0.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 2oqp h LYS 73 CO 0.05 -0.01 -0.48 -0.22 -1.08 0.00 0.00 179.45 177.72 2oqp h LYS 74 N -0.01 -0.78 -1.19 3.15 1.63 -1.71 0.23 116.57 117.90 2oqp h LYS 74 Ca 0.07 0.05 0.44 0.00 -0.85 0.00 0.00 60.65 60.36 2oqp h LYS 74 Cb 0.19 0.18 -0.15 0.00 -0.60 0.00 0.00 32.23 31.85 2oqp h LYS 74 CO -0.43 -0.52 0.73 -0.11 -3.45 0.00 0.00 179.45 175.67 2oqp n LEU 75 N -5.25 0.25 -2.62 5.20 7.94 -0.41 0.20 117.00 122.32 2oqp n LEU 75 Ca -0.09 1.42 -0.25 0.00 -1.11 0.00 0.00 56.01 55.98 2oqp n LEU 75 Cb 0.40 -0.70 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 2oqp n LEU 75 CO 0.19 -1.57 2.30 0.29 -1.11 0.00 0.00 177.39 177.49 2oqp n LYS 76 N -4.82 2.83 -3.48 1.96 5.02 0.25 -4.47 118.16 115.45 2oqp n LYS 76 Ca 0.38 -1.74 -0.37 0.00 -2.02 0.00 0.00 58.31 54.55 2oqp n LYS 76 Cb 1.41 -2.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2oqp s ARG 77 N 0.95 4.20 0.39 1.97 6.06 0.13 -4.96 118.95 127.70 2oqp s ARG 77 Ca 0.66 0.11 -0.08 0.00 -2.50 0.00 0.00 55.73 53.91 2oqp s ARG 77 Cb 0.27 -3.49 -0.06 0.00 0.06 0.00 0.00 34.95 31.73 2oqp s ARG 77 CO -0.05 0.10 0.73 0.15 -2.50 0.00 0.00 175.30 173.72 2oqp s LYS 78 N 0.91 3.71 0.58 5.12 -0.14 -1.26 -4.85 119.74 123.81 2oqp s LYS 78 Ca 0.17 0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.95 2oqp s LYS 78 Cb -0.14 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 2oqp s LYS 78 CO 0.06 -0.01 1.05 -1.25 -0.76 0.00 0.00 175.35 174.44 2oqp s PRO 79 N -3.93 3.40 -0.25 -1.68 0.04 -1.26 -4.98 135.00 126.34 2oqp s PRO 79 Ca 0.49 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 2oqp s PRO 79 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2oqp s PRO 79 CO 0.33 -0.74 1.32 -1.25 0.04 0.00 0.00 177.00 176.70 2oqp s PRO 80 N -4.08 4.01 -1.02 0.56 0.04 -1.26 -3.92 135.00 129.33 2oqp s PRO 80 Ca 0.63 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 2oqp s PRO 80 Cb -0.15 -3.86 0.03 0.00 0.04 0.00 0.00 34.50 30.56 2oqp s PRO 80 CO 0.36 -1.00 0.61 0.43 0.04 0.00 0.00 177.00 177.44 2oqp n SER 81 N 7.37 -4.03 -4.17 6.66 7.64 -1.26 0.11 113.62 125.95 2oqp n SER 81 Ca 0.15 -1.13 -0.37 0.00 1.01 0.00 0.00 58.87 58.53 2oqp n SER 81 Cb 0.46 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 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 -4.06 -1.65 -3.34 0.44 -1.04 -1.25 -2.20 114.28 101.18 2oqp n THR 82 Ca -0.17 -0.52 -0.23 0.00 -2.04 0.00 0.00 64.05 61.09 2oqp n THR 82 Cb 0.57 -1.48 0.02 0.00 -1.82 0.00 0.00 70.33 67.62 2oqp n THR 82 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2oqp n ASN 83 N -2.39 -6.06 -3.64 8.00 0.23 0.12 -4.91 115.26 106.60 2oqp n ASN 83 Ca -0.22 0.12 -0.07 0.00 -0.53 0.00 0.00 54.58 53.88 2oqp n ASN 83 Cb 0.61 -1.92 -0.07 0.00 -2.08 0.00 0.00 39.78 36.32 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqp s ALA 84 N -1.37 -2.03 0.01 -2.53 0.00 -0.93 -4.88 121.76 110.03 2oqp s ALA 84 Ca 0.24 2.08 -0.16 0.00 0.00 0.00 0.00 51.96 54.11 2oqp s ALA 84 Cb -0.03 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 2oqp s ALA 84 CO 0.57 -0.30 0.99 0.78 0.00 0.00 0.00 175.76 177.80 2oqp h GLY 85 N 5.27 -0.59 0.00 0.00 0.00 -1.90 -3.43 103.07 102.41 2oqp h GLY 85 Ca -0.29 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2oqp h GLY 85 CO 0.13 -0.22 0.00 -2.13 0.00 0.00 0.00 176.54 174.33 2oqp n ARG 86 N -3.89 0.00 -1.55 4.80 0.63 -1.26 -5.08 116.66 110.31 2oqp n ARG 86 Ca -0.07 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.57 2oqp n ARG 86 Cb 0.22 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.26 2oqp n ARG 86 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2oqp s ARG 87 N -2.00 1.29 0.05 -0.14 3.52 -1.26 -4.95 118.95 115.46 2oqp s ARG 87 Ca 0.00 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 2oqp s ARG 87 Cb 0.00 -1.85 -0.02 0.00 -1.56 0.00 0.00 34.95 31.51 2oqp s ARG 87 CO 0.00 -2.10 1.15 0.94 -0.81 0.00 0.00 175.30 174.48 2oqp n GLN 88 N -3.71 -0.15 0.00 5.12 -0.06 -1.26 -4.75 117.38 112.57 2oqp n GLN 88 Ca 0.07 1.14 0.00 0.00 -2.00 0.00 0.00 57.00 56.21 2oqp n GLN 88 Cb 0.59 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.08 2oqp n GLN 88 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2oqp n LYS 89 N -3.76 0.00 -1.49 3.69 0.00 -1.26 -4.79 118.16 110.55 2oqp n LYS 89 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 2oqp n LYS 89 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 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 0.00 -3.22 -0.62 5.64 -0.00 -1.26 -4.72 115.22 111.04 2oqp n HIS 90 Ca 0.00 1.93 -0.10 0.00 -0.00 0.00 0.00 57.72 59.54 2oqp n HIS 90 Cb 0.00 -3.09 0.03 0.00 -0.00 0.00 0.00 29.99 26.93 2oqp n HIS 90 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2oqp n ARG 91 N 1.17 1.50 0.00 1.57 0.00 -1.26 -4.97 116.66 114.66 2oqp n ARG 91 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.86 2oqp n ARG 91 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 32.46 31.07 2oqp n ARG 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2oqp n LEU 92 N 0.67 0.00 0.00 2.89 4.32 -1.26 -4.47 117.00 119.15 2oqp n LEU 92 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2oqp n LEU 92 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2oqp n LEU 92 CO 0.24 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.76 2oqp n THR 93 N 0.00 0.00 -1.47 -5.08 -2.24 -1.26 -5.14 114.28 99.10 2oqp n THR 93 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2oqp n THR 93 Cb 0.00 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 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 -3.66 4.58 0.39 0.00 0.04 -1.26 -4.99 135.00 130.11 2oqp s PRO 95 Ca 0.00 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 2oqp s PRO 95 Cb 0.00 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 2oqp s PRO 95 CO 0.00 0.06 1.43 -1.54 0.04 0.00 0.00 177.00 176.99 2oqp s SER 96 N -0.13 6.30 -1.42 6.66 1.04 -1.26 -4.84 113.70 120.05 2oqp s SER 96 Ca 0.49 2.93 -0.09 0.00 0.48 0.00 0.00 55.95 59.76 2oqp s SER 96 Cb -0.30 -2.66 -0.07 0.00 0.10 0.00 0.00 66.02 63.09 2oqp s SER 96 CO 0.36 -0.89 2.68 0.00 0.98 0.00 0.00 173.24 176.38 2oqp n ASP 98 N 3.97 0.06 -2.32 0.00 -0.08 -1.26 -4.83 116.55 112.09 2oqp n ASP 98 Ca 0.68 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.74 2oqp n ASP 98 Cb 0.22 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.60 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 -2.65 6.17 0.00 1.67 2.88 -1.23 -4.47 113.62 116.00 2oqp n SER 99 Ca 0.00 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 2oqp n SER 99 Cb 0.18 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 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 1.21 0.00 0.00 0.66 4.02 -1.26 -5.07 117.16 116.72 2oqp n TYR 100 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 2oqp n TYR 100 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 2oqp n TYR 100 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2oqp n GLU 101 N -0.35 0.00 -3.74 -0.72 2.13 -1.26 -5.11 120.64 111.59 2oqp n GLU 101 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2oqp n GLU 101 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2oqp n GLU 101 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2oqp s LYS 102 N -2.00 3.58 0.11 5.31 3.01 -1.26 -3.17 119.74 125.32 2oqp s LYS 102 Ca 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 55.97 54.79 2oqp s LYS 102 Cb 0.00 -2.96 -0.03 0.00 -1.01 0.00 0.00 37.83 33.83 2oqp s LYS 102 CO 0.00 0.55 0.08 0.15 0.51 0.00 0.00 175.35 176.64 2oqp s LYS 103 N -2.34 0.87 1.01 1.68 -0.14 0.25 -4.90 119.74 116.18 2oqp s LYS 103 Ca 0.36 -1.29 -0.16 0.00 -1.36 0.00 0.00 55.97 53.52 2oqp s LYS 103 Cb -0.13 0.27 0.20 0.00 -1.68 0.00 0.00 37.83 36.49 2oqp s LYS 103 CO 0.23 -0.25 1.19 -1.25 -0.76 0.00 0.00 175.35 174.51 2oqp s PRO 104 N -3.98 0.28 -0.03 -1.68 0.04 -1.26 -2.33 135.00 126.03 2oqp s PRO 104 Ca 0.17 -0.04 -0.23 0.00 0.04 0.00 0.00 61.00 60.93 2oqp s PRO 104 Cb 0.07 -1.77 -0.22 0.00 0.04 0.00 0.00 34.50 32.61 2oqp s PRO 104 CO -0.03 -2.72 1.08 -1.00 0.04 0.00 0.00 177.00 174.38 2oqp h PRO 105 N -1.87 0.23 -0.75 0.56 0.13 -1.83 0.21 132.00 128.69 2oqp h PRO 105 Ca -0.47 -0.23 0.16 0.00 -0.87 0.00 0.00 66.00 64.60 2oqp h PRO 105 Cb 1.29 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 2oqp h PRO 105 CO 0.46 0.92 0.20 1.57 -0.23 0.00 0.00 178.00 180.92 2oqp h LYS 106 N -0.37 0.28 0.10 0.86 2.10 -1.94 0.28 116.57 117.87 2oqp h LYS 106 Ca -0.03 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2oqp h LYS 106 Cb 1.01 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2oqp h LYS 106 CO 0.06 0.19 -0.05 0.93 -2.00 0.00 0.00 179.45 178.58 2oqp h GLU 107 N 0.29 -0.13 -1.32 0.07 4.39 -1.95 -1.41 114.58 114.51 2oqp h GLU 107 Ca 0.42 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.56 2oqp h GLU 107 Cb 0.73 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.28 2oqp h GLU 107 CO -0.51 0.31 0.86 0.35 -1.16 0.00 0.00 179.01 178.86 2oqp h PHE 108 N -0.95 0.50 0.04 4.33 3.57 -0.05 0.56 116.94 124.93 2oqp h PHE 108 Ca -0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2oqp h PHE 108 Cb 0.49 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2oqp h PHE 108 CO 0.10 -0.17 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.50 2oqp h LEU 109 N 0.10 0.14 -1.90 0.59 -0.00 -0.51 -1.49 115.31 112.24 2oqp h LEU 109 Ca 0.80 -0.92 0.31 0.00 -0.00 0.00 0.00 57.88 58.07 2oqp h LEU 109 Cb 2.54 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 43.10 2oqp h LEU 109 CO -0.39 1.19 0.77 -0.08 -0.00 0.00 0.00 178.44 179.93 2oqp h GLU 110 N -0.80 0.06 0.02 1.13 4.22 0.11 -0.30 114.58 119.01 2oqp h GLU 110 Ca -0.10 -0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.15 2oqp h GLU 110 Cb 1.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2oqp h GLU 110 CO 0.02 0.04 -1.04 -0.09 -2.18 0.00 0.00 179.01 175.76 2oqp h ARG 111 N 0.06 0.04 -0.79 1.92 2.43 -0.70 -3.31 114.38 114.04 2oqp h ARG 111 Ca 0.53 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.70 2oqp h ARG 111 Cb 1.99 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 31.46 2oqp h ARG 111 CO -0.05 1.04 -0.58 0.35 -1.51 0.00 0.00 179.97 179.22 2oqp h PHE 112 N -0.86 -1.83 -0.50 2.20 3.04 0.01 1.35 116.94 120.36 2oqp h PHE 112 Ca -0.27 0.11 0.10 0.00 3.98 0.00 0.00 57.97 61.89 2oqp h PHE 112 Cb 1.33 0.90 -0.10 0.00 2.56 0.00 0.00 35.95 40.65 2oqp h PHE 112 CO 0.14 -0.41 -0.12 -0.22 -2.02 0.00 0.00 178.31 175.68 2oqp h LYS 113 N -0.14 0.00 0.67 1.11 3.64 -1.47 -0.36 116.57 120.03 2oqp h LYS 113 Ca 0.13 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2oqp h LYS 113 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2oqp h LYS 113 CO -0.82 0.00 -0.37 0.77 -2.27 0.00 0.00 179.45 176.77 2oqp h SER 114 N 0.00 -0.90 -0.84 4.20 0.02 -0.61 -1.13 113.55 114.29 2oqp h SER 114 Ca 0.24 0.04 0.24 0.00 -0.84 0.00 0.00 61.79 61.48 2oqp h SER 114 Cb 0.37 0.25 -0.16 0.00 0.14 0.00 0.00 62.40 63.00 2oqp h SER 114 CO -0.52 -0.59 0.05 -0.11 -1.14 0.00 0.00 176.83 174.53 2oqp n LEU 115 N -4.71 -0.07 0.15 5.07 -0.00 0.43 0.20 117.00 118.08 2oqp n LEU 115 Ca -0.12 1.43 -0.06 0.00 -0.00 0.00 0.00 56.01 57.26 2oqp n LEU 115 Cb 0.39 -0.54 -0.03 0.00 -0.00 0.00 0.00 43.42 43.24 2oqp n LEU 115 CO 0.28 -1.46 0.51 -0.07 -0.00 0.00 0.00 177.39 176.64 2oqp h LEU 116 N 0.00 -0.33 0.00 -1.96 3.38 -0.66 -1.17 115.31 114.57 2oqp h LEU 116 Ca 0.53 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2oqp h LEU 116 Cb 1.13 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2oqp h LEU 116 CO -0.78 -0.24 0.05 0.00 0.09 0.00 0.00 178.44 177.56 2oqp n GLN 117 N -3.06 0.00 -0.01 1.13 -0.00 0.91 -0.06 117.38 116.29 2oqp n GLN 117 Ca -0.05 0.37 -0.01 0.00 -0.00 0.00 0.00 57.00 57.32 2oqp n GLN 117 Cb 0.15 -1.55 -0.00 0.00 -0.00 0.00 0.00 30.24 28.84 2oqp n GLN 117 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2oqp h LYS 118 N 0.00 -0.06 0.00 2.61 3.64 0.32 -3.39 116.57 119.69 2oqp h LYS 118 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2oqp h LYS 118 Cb 0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2oqp h LYS 118 CO 0.00 -0.04 -0.85 -0.12 -2.27 0.00 0.00 179.45 176.17 2oqp n MET 119 N -3.97 0.48 -0.10 1.90 1.56 -0.53 -4.24 117.12 112.23 2oqp n MET 119 Ca -0.01 0.25 -0.03 0.00 -0.27 0.00 0.00 57.70 57.65 2oqp n MET 119 Cb 0.02 -1.41 -0.02 0.00 2.15 0.00 0.00 33.22 33.96 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 -4.35 -0.16 -0.32 1.12 -0.00 0.92 0.23 119.36 116.80 2oqp n ILE 120 Ca -0.12 1.59 -0.03 0.00 -0.00 0.00 0.00 62.75 64.19 2oqp n ILE 120 Cb 0.44 -2.07 0.00 0.00 -0.00 0.00 0.00 39.64 38.02 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 -3.50 -0.08 -0.24 1.39 8.25 -0.62 0.23 115.22 120.66 2oqp n HIS 121 Ca 0.00 0.99 0.24 0.00 -0.26 0.00 0.00 57.72 58.69 2oqp n HIS 121 Cb 0.06 -0.73 0.44 0.00 1.12 0.00 0.00 29.99 30.88 2oqp n HIS 121 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2oqp n GLN 122 N -5.13 -0.04 -0.31 -0.41 1.13 0.14 0.20 117.38 112.95 2oqp n GLN 122 Ca 0.06 1.02 0.27 0.00 -1.94 0.00 0.00 57.00 56.42 2oqp n GLN 122 Cb 0.29 -1.84 0.50 0.00 0.11 0.00 0.00 30.24 29.30 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 -4.68 1.00 -0.07 1.08 -0.00 0.63 -0.98 115.22 112.20 2oqp n HIS 123 Ca 0.28 1.12 -0.07 0.00 0.46 0.00 0.00 57.72 59.52 2oqp n HIS 123 Cb 0.95 -1.46 -0.04 0.00 -0.12 0.00 0.00 29.99 29.33 2oqp n HIS 123 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2oqp h LEU 124 N 0.00 0.00 -8.18 0.27 5.85 0.20 -3.43 115.31 110.03 2oqp h LEU 124 Ca 0.76 -0.17 -0.63 0.00 0.84 0.00 0.00 57.88 58.68 2oqp h LEU 124 Cb 1.93 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.82 2oqp h LEU 124 CO -0.76 0.82 0.82 -0.55 -0.34 0.00 0.00 178.44 178.43 2oqp s SER 125 N -5.90 6.33 -0.75 1.25 0.15 -0.15 -4.95 113.70 109.68 2oqp s SER 125 Ca -0.13 -1.25 -0.09 0.00 0.70 0.00 0.00 55.95 55.17 2oqp s SER 125 Cb 0.02 -2.45 0.20 0.00 -1.71 0.00 0.00 66.02 62.07 2oqp s SER 125 CO 0.26 -1.41 0.63 -0.44 1.20 0.00 0.00 173.24 173.48 2oqp s SER 126 N 3.86 6.14 0.50 5.45 0.01 -1.14 -4.31 113.70 124.21 2oqp s SER 126 Ca 0.30 -2.76 -0.17 0.00 1.31 0.00 0.00 55.95 54.63 2oqp s SER 126 Cb -0.10 -2.07 -0.14 0.00 0.21 0.00 0.00 66.02 63.92 2oqp s SER 126 CO 0.03 -0.49 -0.15 -1.14 0.41 0.00 0.00 173.24 171.90 2oqp n ARG 127 N 3.77 0.00 -3.14 12.44 0.63 -1.26 -3.04 116.66 126.06 2oqp n ARG 127 Ca 0.11 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.90 2oqp n ARG 127 Cb 0.43 -0.96 0.07 0.00 0.45 0.00 0.00 32.46 32.45 2oqp n ARG 127 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2oqp n THR 128 N -1.49 -6.19 -1.27 5.15 -1.04 -1.26 -4.91 114.28 103.27 2oqp n THR 128 Ca 0.07 -0.70 -0.37 0.00 -2.04 0.00 0.00 64.05 61.01 2oqp n THR 128 Cb 0.46 -5.15 0.04 0.00 -1.82 0.00 0.00 70.33 63.86 2oqp n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oqp n HIS 129 N -3.42 -1.93 -0.09 -1.42 1.44 -1.17 -4.68 115.22 103.95 2oqp n HIS 129 Ca -0.18 0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2oqp n HIS 129 Cb 0.63 -1.80 0.00 0.00 0.12 0.00 0.00 29.99 28.94 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2oqp n GLY 130 N 2.15 -3.40 2.21 -1.39 0.00 -1.26 -5.03 105.19 98.48 2oqp n GLY 130 Ca 0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 2oqp n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqp n SER 131 N -0.45 -7.42 -1.91 1.61 7.64 -1.26 -4.91 113.62 106.92 2oqp n SER 131 Ca 0.00 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.44 2oqp n SER 131 Cb 0.00 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 2oqp n SER 131 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2oqp n GLU 132 N 1.58 -5.26 -0.07 1.43 2.13 -1.26 -5.00 120.64 114.18 2oqp n GLU 132 Ca -0.06 3.76 -0.07 0.00 0.66 0.00 0.00 57.16 61.46 2oqp n GLU 132 Cb 0.09 -4.09 -0.02 0.00 0.27 0.00 0.00 31.44 27.68 2oqp n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2oqp n ASP 133 N 1.15 1.59 -0.23 4.31 -0.08 -1.26 -4.87 116.55 117.16 2oqp n ASP 133 Ca 0.00 0.30 0.03 0.00 -1.51 0.00 0.00 54.79 53.60 2oqp n ASP 133 Cb 0.00 -0.71 0.02 0.00 2.34 0.00 0.00 41.12 42.78 2oqp n ASP 133 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08