#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp s GLN 2 N 0.00 1.01 0.10 3.17 -0.21 -1.26 -5.14 119.66 117.33 2oqp s GLN 2 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 55.36 54.07 2oqp s GLN 2 Cb 0.00 -0.18 -0.06 0.00 1.00 0.00 0.00 33.01 33.77 2oqp s GLN 2 CO 0.00 -1.31 0.86 0.20 -2.12 0.00 0.00 175.29 172.92 2oqp s GLY 3 N 0.97 2.92 0.09 3.09 0.00 -1.26 -4.95 107.32 108.18 2oqp s GLY 3 Ca 0.28 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2oqp s GLY 3 CO -0.07 1.21 0.00 -0.18 0.00 0.00 0.00 173.10 174.07 2oqp n GLN 4 N 2.53 0.00 -1.64 2.90 7.27 -1.26 -5.04 117.38 122.15 2oqp n GLN 4 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 57.00 56.57 2oqp n GLN 4 Cb 0.49 -0.30 -0.05 0.00 2.41 0.00 0.00 30.24 32.79 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2oqp n ASP 5 N -3.20 2.47 -0.03 1.69 8.00 -1.26 -4.87 116.55 119.35 2oqp n ASP 5 Ca 0.00 1.10 -0.08 0.00 0.71 0.00 0.00 54.79 56.52 2oqp n ASP 5 Cb 0.00 -1.32 -0.14 0.00 -0.02 0.00 0.00 41.12 39.64 2oqp n ASP 5 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2oqp n ARG 6 N 3.11 0.64 -0.04 -1.24 1.85 -1.26 -3.97 116.66 115.74 2oqp n ARG 6 Ca 0.18 0.26 -0.01 0.00 -1.00 0.00 0.00 57.85 57.28 2oqp n ARG 6 Cb 0.24 -1.76 -0.00 0.00 -1.05 0.00 0.00 32.46 29.89 2oqp n ARG 6 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2oqp h HIS 7 N 0.00 0.00 -1.39 2.89 2.76 -1.98 -2.39 115.15 115.04 2oqp h HIS 7 Ca -0.30 0.00 0.40 0.00 -2.20 0.00 0.00 60.37 58.27 2oqp h HIS 7 Cb 2.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.90 2oqp h HIS 7 CO 0.00 0.00 1.30 0.52 -1.30 0.00 0.00 177.93 178.45 2oqp h MET 8 N -0.79 0.00 0.06 5.26 2.86 -1.95 1.66 114.93 122.03 2oqp h MET 8 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 2oqp h MET 8 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2oqp h MET 8 CO 0.00 0.00 -1.20 0.97 1.06 0.00 0.00 176.91 177.74 2oqp h ILE 9 N 0.00 1.07 -0.35 -1.22 -0.00 -1.69 -1.50 117.51 113.83 2oqp h ILE 9 Ca 0.66 -2.31 0.07 0.00 -0.00 0.00 0.00 64.86 63.27 2oqp h ILE 9 Cb 3.25 2.63 -0.02 0.00 -0.00 0.00 0.00 36.82 42.68 2oqp h ILE 9 CO -0.01 0.57 0.24 -0.09 -0.00 0.00 0.00 178.15 178.86 2oqp h ARG 10 N -0.62 0.17 0.11 2.19 2.43 0.27 -1.35 114.38 117.60 2oqp h ARG 10 Ca -0.28 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.54 2oqp h ARG 10 Cb 1.52 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 2oqp h ARG 10 CO -0.04 0.12 -1.78 0.00 -1.51 0.00 0.00 179.97 176.76 2oqp h MET 11 N 0.18 0.23 -0.42 0.20 -0.00 -0.39 -3.24 114.93 111.49 2oqp h MET 11 Ca 0.16 -0.40 0.07 0.00 -0.00 0.00 0.00 59.70 59.53 2oqp h MET 11 Cb 0.39 0.15 -0.06 0.00 -0.00 0.00 0.00 31.60 32.08 2oqp h MET 11 CO -0.02 1.07 0.05 0.00 -0.00 0.00 0.00 176.91 178.01 2oqp h ARG 12 N 0.06 0.17 -0.25 -0.10 3.08 -0.43 -1.39 114.38 115.53 2oqp h ARG 12 Ca -0.34 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2oqp h ARG 12 Cb 2.04 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 2oqp h ARG 12 CO 0.12 0.11 0.12 1.96 -1.07 0.00 0.00 179.97 181.22 2oqp h GLN 13 N 0.18 0.36 -0.54 0.04 1.08 -1.43 0.26 115.11 115.05 2oqp h GLN 13 Ca 0.21 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.45 2oqp h GLN 13 Cb 0.27 -0.07 -0.11 0.00 -0.05 0.00 0.00 27.48 27.53 2oqp h GLN 13 CO -0.29 0.36 -0.32 -0.07 -0.95 0.00 0.00 178.83 177.55 2oqp h LEU 14 N 0.28 -1.11 -1.21 1.46 -0.00 -1.38 1.89 115.31 115.23 2oqp h LEU 14 Ca 0.09 0.22 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2oqp h LEU 14 Cb 0.11 0.55 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2oqp h LEU 14 CO -0.01 -0.30 -0.26 0.40 -0.00 0.00 0.00 178.44 178.27 2oqp h ILE 15 N -0.18 0.68 0.26 1.22 5.03 -1.07 -1.52 117.51 121.94 2oqp h ILE 15 Ca 0.22 -1.14 -0.01 0.00 -0.12 0.00 0.00 64.86 63.81 2oqp h ILE 15 Cb 0.54 1.73 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 2oqp h ILE 15 CO -0.64 0.25 -0.13 -0.78 -0.68 0.00 0.00 178.15 176.17 2oqp h ASP 16 N 0.00 -0.30 -0.81 1.72 1.82 0.45 -1.19 116.42 118.11 2oqp h ASP 16 Ca -0.00 0.01 0.16 0.00 -0.39 0.00 0.00 57.03 56.81 2oqp h ASP 16 Cb 0.71 0.08 -0.10 0.00 0.68 0.00 0.00 39.33 40.70 2oqp h ASP 16 CO 0.03 -0.07 0.34 0.16 -1.61 0.00 0.00 179.24 178.10 2oqp h ILE 17 N -0.65 0.61 0.14 2.25 3.07 0.24 1.18 117.51 124.36 2oqp h ILE 17 Ca -0.04 -0.16 0.02 0.00 1.55 0.00 0.00 64.86 66.23 2oqp h ILE 17 Cb 0.27 0.12 -0.03 0.00 -0.27 0.00 0.00 36.82 36.90 2oqp h ILE 17 CO 0.06 0.08 -0.28 0.58 -1.05 0.00 0.00 178.15 177.54 2oqp h VAL 18 N 0.46 0.39 -0.70 0.16 2.07 -1.32 1.32 116.25 118.62 2oqp h VAL 18 Ca 0.46 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.94 2oqp h VAL 18 Cb 0.75 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2oqp h VAL 18 CO -0.44 0.00 0.29 -0.78 0.02 0.00 0.00 177.57 176.66 2oqp h ASP 19 N -0.51 0.95 -0.13 0.57 3.58 0.25 0.46 116.42 121.58 2oqp h ASP 19 Ca 0.03 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2oqp h ASP 19 Cb 0.53 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2oqp h ASP 19 CO -0.15 0.84 0.06 -0.61 -2.88 0.00 0.00 179.24 176.50 2oqp h GLN 20 N 1.01 0.19 -0.55 0.28 5.75 0.23 -1.76 115.11 120.27 2oqp h GLN 20 Ca 0.24 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.61 2oqp h GLN 20 Cb 0.18 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 2oqp h GLN 20 CO -0.02 0.25 -0.07 1.25 -2.65 0.00 0.00 178.83 177.58 2oqp h LEU 21 N 0.09 0.99 0.05 -2.39 7.12 0.20 -2.90 115.31 118.48 2oqp h LEU 21 Ca 0.05 -0.31 0.02 0.00 0.13 0.00 0.00 57.88 57.76 2oqp h LEU 21 Cb 0.12 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 39.93 2oqp h LEU 21 CO -0.01 1.09 -0.53 0.11 -0.13 0.00 0.00 178.44 178.97 2oqp h LYS 22 N 0.90 -0.67 -0.03 1.25 1.57 0.20 0.73 116.57 120.52 2oqp h LYS 22 Ca 0.15 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2oqp h LYS 22 Cb 0.62 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2oqp h LYS 22 CO 0.04 -0.45 0.33 -0.91 -0.57 0.00 0.00 179.45 177.89 2oqp h ASN 23 N -0.70 0.00 -0.80 0.86 2.35 -1.27 0.87 115.58 116.89 2oqp h ASN 23 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.36 2oqp h ASN 23 Cb 0.73 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.86 2oqp h ASN 23 CO -0.33 0.00 0.42 -1.22 -1.65 0.00 0.00 177.43 174.66 2oqp n TYR 24 N -2.97 2.48 0.17 1.19 4.01 0.24 -4.53 117.16 117.76 2oqp n TYR 24 Ca -0.01 -1.71 0.06 0.00 -0.16 0.00 0.00 57.90 56.08 2oqp n TYR 24 Cb 0.39 -0.80 0.56 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.19 1.04 -0.15 -0.72 2.07 0.18 0.25 116.25 120.12 2oqp h VAL 25 Ca 0.49 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.96 2oqp h VAL 25 Cb 2.50 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2oqp h VAL 25 CO 0.88 0.04 0.47 -1.13 0.02 0.00 0.00 177.57 177.85 2oqp h ASN 26 N 0.18 0.00 -1.41 0.57 -1.24 -1.81 0.48 115.58 112.36 2oqp h ASN 26 Ca 0.05 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.45 2oqp h ASN 26 Cb -0.01 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.65 2oqp h ASN 26 CO -0.01 0.00 -0.45 0.47 -1.29 0.00 0.00 177.43 176.15 2oqp n ASP 27 N -3.07 5.25 -4.28 1.15 9.92 0.08 -4.88 116.55 120.72 2oqp n ASP 27 Ca 0.02 -3.74 -0.30 0.00 -0.53 0.00 0.00 54.79 50.24 2oqp n ASP 27 Cb 0.55 -0.54 -0.16 0.00 -0.64 0.00 0.00 41.12 40.34 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 -3.63 2.05 -0.27 0.64 1.43 0.17 -2.03 118.68 117.04 2oqp s LEU 28 Ca 0.50 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2oqp s LEU 28 Cb 0.41 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 2oqp s LEU 28 CO -0.17 0.29 0.14 0.54 0.23 0.00 0.00 176.35 177.39 2oqp s VAL 29 N -0.57 4.91 -0.59 -1.59 0.11 -0.32 -3.93 120.40 118.41 2oqp s VAL 29 Ca 0.09 0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 2oqp s VAL 29 Cb -0.09 -3.33 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2oqp s VAL 29 CO -0.01 0.28 1.52 -2.16 -3.33 0.00 0.00 175.10 171.40 2oqp s PRO 30 N 1.70 3.12 0.16 1.54 0.04 -1.26 -4.76 135.00 135.54 2oqp s PRO 30 Ca 0.07 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.56 2oqp s PRO 30 Cb -0.16 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2oqp s PRO 30 CO 0.08 -2.16 -0.04 -2.00 0.04 0.00 0.00 177.00 172.92 2oqp s GLU 31 N 5.93 1.06 -0.83 4.56 2.56 -1.26 -5.06 118.70 125.65 2oqp s GLU 31 Ca 0.54 -1.49 -0.25 0.00 0.00 0.00 0.00 54.97 53.77 2oqp s GLU 31 Cb -0.11 -0.38 -0.09 0.00 2.00 0.00 0.00 34.13 35.55 2oqp s GLU 31 CO 0.23 -0.05 2.16 -0.06 -0.56 0.00 0.00 175.26 176.98 2oqp s PHE 32 N -3.54 1.48 -0.18 5.30 0.40 -1.26 -4.70 117.98 115.48 2oqp s PHE 32 Ca 0.20 1.27 -0.12 0.00 -0.60 0.00 0.00 56.93 57.68 2oqp s PHE 32 Cb 0.05 -3.76 -0.05 0.00 0.51 0.00 0.00 43.02 39.77 2oqp s PHE 32 CO 0.02 -1.71 0.21 -0.51 0.70 0.00 0.00 175.22 173.92 2oqp s LEU 33 N 12.20 4.22 -0.09 -0.37 1.02 -1.11 -4.84 118.68 129.71 2oqp s LEU 33 Ca 0.81 0.36 -0.30 0.00 0.02 0.00 0.00 54.13 55.02 2oqp s LEU 33 Cb -0.10 -2.22 -0.03 0.00 0.02 0.00 0.00 46.19 43.86 2oqp s LEU 33 CO 0.05 0.14 1.24 -2.16 0.02 0.00 0.00 176.35 175.64 2oqp s PRO 34 N 0.43 4.30 -0.03 1.29 0.04 -1.26 0.20 135.00 139.97 2oqp s PRO 34 Ca 0.12 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.89 2oqp s PRO 34 Cb -0.12 -3.64 -0.00 0.00 0.04 0.00 0.00 34.50 30.78 2oqp s PRO 34 CO 0.01 -0.56 -0.12 0.00 0.04 0.00 0.00 177.00 176.36 2oqp s ALA 35 N 2.74 1.12 -0.02 8.56 0.00 -1.22 -4.46 121.76 128.48 2oqp s ALA 35 Ca 0.56 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 2oqp s ALA 35 Cb -0.24 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2oqp s ALA 35 CO 0.19 0.21 1.20 -1.25 0.00 0.00 0.00 175.76 176.11 2oqp s PRO 36 N 0.05 4.38 -0.40 0.00 0.04 -1.26 -4.37 135.00 133.44 2oqp s PRO 36 Ca -0.02 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 2oqp s PRO 36 Cb -0.09 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.97 2oqp s PRO 36 CO 0.01 -0.39 0.29 -2.00 0.04 0.00 0.00 177.00 174.95 2oqp s GLU 37 N 1.87 3.04 -0.07 4.56 2.12 -1.26 -4.78 118.70 124.18 2oqp s GLU 37 Ca 0.57 -0.97 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 2oqp s GLU 37 Cb -0.26 -3.95 0.02 0.00 0.26 0.00 0.00 34.13 30.20 2oqp s GLU 37 CO 0.24 -0.71 0.11 -3.47 -0.54 0.00 0.00 175.26 170.90 2oqp n ASP 38 N 5.15 -4.18 -4.62 -1.70 -0.08 -1.26 -5.00 116.55 104.85 2oqp n ASP 38 Ca -0.11 1.40 -0.31 0.00 -1.51 0.00 0.00 54.79 54.26 2oqp n ASP 38 Cb 0.47 -4.21 -0.10 0.00 2.34 0.00 0.00 41.12 39.62 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2oqp s VAL 39 N -0.46 3.75 1.07 5.18 -7.23 -1.26 -5.09 120.40 116.36 2oqp s VAL 39 Ca -0.13 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 2oqp s VAL 39 Cb 0.01 -2.69 0.15 0.00 0.56 0.00 0.00 36.38 34.41 2oqp s VAL 39 CO 0.34 0.29 0.58 1.21 -0.31 0.00 0.00 175.10 177.21 2oqp n GLU 40 N 1.19 -1.40 -0.27 4.82 2.13 -1.26 -4.64 120.64 121.21 2oqp n GLU 40 Ca -0.14 -0.37 0.07 0.00 0.66 0.00 0.00 57.16 57.38 2oqp n GLU 40 Cb 0.52 -1.98 0.22 0.00 0.27 0.00 0.00 31.44 30.47 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 -2.12 0.61 -1.73 6.31 2.02 -2.04 -0.96 112.91 115.00 2oqp h THR 41 Ca -0.52 -0.15 -0.66 0.00 0.77 0.00 0.00 66.41 65.85 2oqp h THR 41 Cb 1.32 0.13 -0.36 0.00 -1.74 0.00 0.00 68.15 67.49 2oqp h THR 41 CO 0.41 0.08 -0.04 0.59 0.37 0.00 0.00 175.52 176.93 2oqp n ASN 42 N -5.01 5.79 0.00 4.18 3.02 -1.26 -4.46 115.26 117.52 2oqp n ASN 42 Ca 0.16 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.95 2oqp n ASN 42 Cb 0.48 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.00 -0.05 0.48 0.00 4.71 -1.17 0.18 120.64 122.79 2oqp n GLU 44 Ca 0.00 1.03 -0.20 0.00 -0.01 0.00 0.00 57.16 57.99 2oqp n GLU 44 Cb 0.30 -1.76 -0.09 0.00 -1.01 0.00 0.00 31.44 28.88 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 2oqp h TRP 45 N 0.00 -1.21 -0.29 -0.32 4.06 -1.90 0.94 115.95 117.23 2oqp h TRP 45 Ca 0.54 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.55 2oqp h TRP 45 Cb 1.31 0.41 -0.01 0.00 -1.00 0.00 0.00 29.16 29.87 2oqp h TRP 45 CO -0.16 -0.73 0.47 0.66 -3.56 0.00 0.00 178.44 175.11 2oqp h SER 46 N -1.25 0.00 1.21 -3.49 4.64 0.17 1.57 113.55 116.40 2oqp h SER 46 Ca -0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.03 2oqp h SER 46 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2oqp h SER 46 CO 0.19 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.37 2oqp h ALA 47 N 1.33 0.50 -1.01 5.18 0.00 0.77 -3.25 119.26 122.78 2oqp h ALA 47 Ca 0.14 -0.70 0.24 0.00 0.00 0.00 0.00 54.91 54.59 2oqp h ALA 47 Cb 1.07 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2oqp h ALA 47 CO -0.00 0.97 0.64 0.35 0.00 0.00 0.00 179.25 181.21 2oqp h PHE 48 N 0.00 0.73 -0.54 0.00 3.04 0.47 0.26 116.94 120.90 2oqp h PHE 48 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2oqp h PHE 48 Cb 1.59 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.86 2oqp h PHE 48 CO 0.00 0.10 0.35 0.77 -2.02 0.00 0.00 178.31 177.51 2oqp h SER 49 N 0.47 0.64 -0.21 0.41 0.02 -1.61 -2.43 113.55 110.84 2oqp h SER 49 Ca 0.58 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.52 2oqp h SER 49 Cb 1.34 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2oqp h SER 49 CO -0.31 0.49 -0.27 0.00 -1.14 0.00 0.00 176.83 175.60 2oqp h PHE 51 N -0.18 0.00 0.01 0.00 0.04 -1.44 0.52 116.94 115.89 2oqp h PHE 51 Ca 0.04 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 2oqp h PHE 51 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.45 2oqp h PHE 51 CO -0.68 0.00 -1.01 0.37 -0.60 0.00 0.00 178.31 176.39 2oqp h GLN 52 N 0.00 0.66 0.00 1.51 4.15 0.20 -3.22 115.11 118.41 2oqp h GLN 52 Ca 0.01 -0.73 -0.08 0.00 0.77 0.00 0.00 58.65 58.62 2oqp h GLN 52 Cb 0.78 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 2oqp h GLN 52 CO -0.00 1.31 -0.57 0.87 -1.93 0.00 0.00 178.83 178.50 2oqp h LYS 53 N 0.32 0.00 -0.61 1.69 1.79 0.25 -3.29 116.57 116.72 2oqp h LYS 53 Ca -0.13 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.46 2oqp h LYS 53 Cb 1.67 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.23 2oqp h LYS 53 CO 0.20 0.33 0.08 0.00 -1.08 0.00 0.00 179.45 178.98 2oqp h ALA 54 N 1.63 0.68 -4.74 3.86 0.00 -0.34 -3.48 119.26 116.88 2oqp h ALA 54 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2oqp h ALA 54 Cb 1.31 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2oqp h ALA 54 CO 0.04 -0.34 -0.98 0.94 0.00 0.00 0.00 179.25 178.91 2oqp n GLN 55 N -5.19 -4.70 -2.42 0.00 7.27 -1.24 -4.83 117.38 106.27 2oqp n GLN 55 Ca 0.09 3.42 -0.43 0.00 0.07 0.00 0.00 57.00 60.16 2oqp n GLN 55 Cb 0.34 -4.41 -0.02 0.00 2.41 0.00 0.00 30.24 28.56 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 -0.56 4.10 -0.18 1.69 1.98 -1.26 -5.00 118.68 119.45 2oqp s LEU 56 Ca -0.04 1.56 -0.04 0.00 -2.89 0.00 0.00 54.13 52.72 2oqp s LEU 56 Cb 0.00 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 2oqp s LEU 56 CO 0.10 -0.85 -0.03 -0.75 -1.89 0.00 0.00 176.35 172.93 2oqp s LYS 57 N 3.70 3.59 0.30 1.98 2.47 -1.26 -4.89 119.74 125.62 2oqp s LYS 57 Ca 0.55 -0.54 -0.12 0.00 -1.56 0.00 0.00 55.97 54.30 2oqp s LYS 57 Cb -0.20 -2.98 -0.08 0.00 -1.46 0.00 0.00 37.83 33.11 2oqp s LYS 57 CO 0.17 0.08 0.65 -1.54 0.16 0.00 0.00 175.35 174.88 2oqp s SER 58 N 0.79 6.66 0.60 1.43 1.04 -1.26 -1.18 113.70 121.78 2oqp s SER 58 Ca -0.01 1.08 0.28 0.00 0.48 0.00 0.00 55.95 57.79 2oqp s SER 58 Cb -0.14 -2.29 1.27 0.00 0.10 0.00 0.00 66.02 64.95 2oqp s SER 58 CO 0.02 -0.18 1.65 0.00 0.98 0.00 0.00 173.24 175.71 2oqp h ALA 59 N 2.18 2.52 -5.88 5.32 0.00 -1.53 -3.39 119.26 118.48 2oqp h ALA 59 Ca -0.47 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 2oqp h ALA 59 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2oqp h ALA 59 CO 0.67 -1.17 -0.52 0.09 0.00 0.00 0.00 179.25 178.32 2oqp n ASN 60 N -3.51 -6.73 0.00 0.00 3.02 -1.26 -4.92 115.26 101.86 2oqp n ASN 60 Ca 0.15 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2oqp n ASN 60 Cb 1.04 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.65 0.23 -0.51 3.41 5.66 -1.26 -5.09 114.28 115.07 2oqp n THR 61 Ca -0.09 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2oqp n THR 61 Cb 0.57 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.50 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 -0.12 -1.05 0.00 1.09 0.00 -1.26 -5.06 105.19 98.79 2oqp n GLY 62 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2oqp n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oqp n ASN 63 N 0.00 0.00 0.01 1.61 4.13 -1.26 -4.86 115.26 114.89 2oqp n ASN 63 Ca 0.00 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.37 2oqp n ASN 63 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqp n ASN 64 N 0.00 0.56 -0.66 6.41 3.02 -1.26 -4.29 115.26 119.04 2oqp n ASN 64 Ca 0.00 -0.36 0.50 0.00 -0.03 0.00 0.00 54.58 54.69 2oqp n ASN 64 Cb 0.00 1.15 0.77 0.00 -0.61 0.00 0.00 39.78 41.09 2oqp n ASN 64 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2oqp n GLU 65 N -1.92 -0.00 -0.06 3.52 0.00 -1.26 0.17 120.64 121.09 2oqp n GLU 65 Ca 0.01 1.01 -0.19 0.00 0.00 0.00 0.00 57.16 57.99 2oqp n GLU 65 Cb 0.44 -2.33 -0.13 0.00 0.00 0.00 0.00 31.44 29.42 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 0.08 0.00 5.31 9.65 -2.00 -2.90 114.38 124.52 2oqp h ARG 66 Ca 0.88 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 59.62 2oqp h ARG 66 Cb 3.52 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 32.15 2oqp h ARG 66 CO -0.02 1.06 0.00 1.51 2.80 0.00 0.00 179.97 185.33 2oqp n ILE 67 N -4.33 1.37 -0.08 1.20 0.13 0.45 -1.88 119.36 116.23 2oqp n ILE 67 Ca -0.23 0.44 -0.21 0.00 -1.10 0.00 0.00 62.75 61.65 2oqp n ILE 67 Cb 0.69 -1.36 -0.12 0.00 -0.84 0.00 0.00 39.64 38.01 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 0.98 -0.32 9.51 5.03 0.66 -3.33 117.51 130.05 2oqp h ILE 68 Ca 0.00 -2.23 0.09 0.00 -0.12 0.00 0.00 64.86 62.60 2oqp h ILE 68 Cb 0.12 2.41 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 2oqp h ILE 68 CO 0.00 0.44 0.48 -1.13 -0.68 0.00 0.00 178.15 177.25 2oqp h ASN 69 N -0.82 0.00 0.31 1.72 -1.24 -1.16 1.36 115.58 115.75 2oqp h ASN 69 Ca -0.32 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.55 2oqp h ASN 69 Cb 1.40 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 2oqp h ASN 69 CO -0.13 0.00 -0.56 -0.37 -1.29 0.00 0.00 177.43 175.07 2oqp h VAL 70 N 0.00 1.37 0.03 2.57 -1.51 -1.61 -2.89 116.25 114.20 2oqp h VAL 70 Ca 0.15 -1.88 -0.05 0.00 -1.23 0.00 0.00 66.70 63.68 2oqp h VAL 70 Cb 1.10 1.92 0.01 0.00 -2.13 0.00 0.00 31.29 32.19 2oqp h VAL 70 CO -0.00 0.56 -0.23 0.28 -1.23 0.00 0.00 177.57 176.95 2oqp h SER 71 N 0.21 0.15 -0.77 4.19 0.02 0.16 -3.30 113.55 114.21 2oqp h SER 71 Ca -0.00 -0.93 0.14 0.00 -0.84 0.00 0.00 61.79 60.16 2oqp h SER 71 Cb 1.05 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 2oqp h SER 71 CO 0.09 1.06 -0.31 0.40 -1.14 0.00 0.00 176.83 176.94 2oqp h ILE 72 N -0.74 0.13 -0.01 3.27 2.04 -1.13 1.57 117.51 122.65 2oqp h ILE 72 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2oqp h ILE 72 Cb 1.13 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2oqp h ILE 72 CO 0.04 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 178.30 2oqp h LYS 73 N -0.07 -0.00 0.17 2.37 1.57 -1.61 1.18 116.57 120.17 2oqp h LYS 73 Ca 0.32 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2oqp h LYS 73 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2oqp h LYS 73 CO -0.82 -0.00 -0.35 0.87 -0.57 0.00 0.00 179.45 178.58 2oqp h LYS 74 N -0.01 -0.59 -0.98 3.15 1.57 -1.33 -0.85 116.57 117.54 2oqp h LYS 74 Ca 0.00 0.04 0.33 0.00 -1.87 0.00 0.00 60.65 59.15 2oqp h LYS 74 Cb 0.01 0.13 -0.18 0.00 0.08 0.00 0.00 32.23 32.28 2oqp h LYS 74 CO -0.01 -0.39 0.28 1.25 -0.57 0.00 0.00 179.45 180.01 2oqp h LEU 75 N -0.61 -0.07 -5.04 2.94 5.85 0.28 -0.16 115.31 118.50 2oqp h LEU 75 Ca 0.02 0.26 -0.42 0.00 0.84 0.00 0.00 57.88 58.58 2oqp h LEU 75 Cb 0.62 0.36 0.01 0.00 0.37 0.00 0.00 40.66 42.02 2oqp h LEU 75 CO -0.18 -0.36 2.42 0.29 -0.34 0.00 0.00 178.44 180.27 2oqp n LYS 76 N -5.35 2.47 -3.43 1.25 5.02 0.40 -4.84 118.16 113.68 2oqp n LYS 76 Ca 0.29 -1.54 -0.25 0.00 -2.02 0.00 0.00 58.31 54.80 2oqp n LYS 76 Cb 0.97 -2.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2oqp n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2oqp s ARG 77 N 2.61 3.51 0.06 1.97 1.81 -0.08 -4.96 118.95 123.86 2oqp s ARG 77 Ca 0.51 -0.30 -0.03 0.00 -1.72 0.00 0.00 55.73 54.19 2oqp s ARG 77 Cb 0.16 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.92 2oqp s ARG 77 CO -0.03 0.20 0.26 -1.59 -0.68 0.00 0.00 175.30 173.46 2oqp s LYS 78 N -4.06 3.52 0.96 3.54 -2.85 -1.26 -4.93 119.74 114.65 2oqp s LYS 78 Ca 0.40 -0.24 -0.14 0.00 -1.00 0.00 0.00 55.97 54.99 2oqp s LYS 78 Cb -0.10 -3.01 0.17 0.00 -2.06 0.00 0.00 37.83 32.83 2oqp s LYS 78 CO 0.34 0.60 1.16 -1.25 0.10 0.00 0.00 175.35 176.30 2oqp s PRO 79 N -2.26 0.72 0.00 1.78 0.04 -1.26 -5.07 135.00 128.95 2oqp s PRO 79 Ca 0.33 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2oqp s PRO 79 Cb -0.13 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2oqp s PRO 79 CO 0.23 -2.45 0.00 -0.35 0.04 0.00 0.00 177.00 174.47 2oqp n PRO 80 N -3.91 -0.06 -0.38 0.56 -0.04 -1.26 -4.84 135.00 125.08 2oqp n PRO 80 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2oqp n PRO 80 Cb 0.59 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.07 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 -2.11 -0.69 -4.58 3.54 7.64 -1.26 -2.70 113.62 113.47 2oqp n SER 81 Ca 0.00 1.69 -0.35 0.00 1.01 0.00 0.00 58.87 61.22 2oqp n SER 81 Cb 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 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 -5.85 3.80 -0.11 0.44 -1.32 -1.26 -4.69 115.64 106.65 2oqp s THR 82 Ca -0.13 -1.26 -0.09 0.00 -1.21 0.00 0.00 61.69 59.00 2oqp s THR 82 Cb 0.18 -4.82 -0.08 0.00 -1.51 0.00 0.00 72.50 66.27 2oqp s THR 82 CO 0.68 -1.49 0.24 -1.13 -2.21 0.00 0.00 174.62 170.70 2oqp h ASN 83 N 8.99 -0.00 -3.89 8.08 -0.73 -1.83 -3.43 115.58 122.77 2oqp h ASN 83 Ca 0.30 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2oqp h ASN 83 Cb 0.92 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2oqp h ASN 83 CO 1.34 0.65 -0.41 0.00 -0.37 0.00 0.00 177.43 178.64 2oqp n ALA 84 N -2.73 -2.59 0.12 1.57 0.00 -1.26 -4.51 120.51 111.11 2oqp n ALA 84 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2oqp n ALA 84 Cb 0.14 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.34 -0.27 1.38 0.00 0.00 -1.26 -4.97 105.19 100.40 2oqp n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.35 0.00 -0.75 1.61 3.00 -1.26 -4.95 116.66 110.96 2oqp n ARG 86 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 2oqp n ARG 86 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.58 2oqp n ARG 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2oqp n ARG 87 N -2.29 -1.18 -1.64 -0.14 1.74 -1.26 -4.66 116.66 107.23 2oqp n ARG 87 Ca 0.00 -0.34 -0.59 0.00 -0.77 0.00 0.00 57.85 56.16 2oqp n ARG 87 Cb 0.00 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 2oqp n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oqp n GLN 88 N -0.45 0.66 -0.07 5.56 10.64 -1.26 -4.84 117.38 127.61 2oqp n GLN 88 Ca 0.01 0.24 -0.11 0.00 -1.83 0.00 0.00 57.00 55.30 2oqp n GLN 88 Cb 0.59 -1.83 -0.06 0.00 -0.86 0.00 0.00 30.24 28.07 2oqp n GLN 88 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2oqp n LYS 89 N 3.48 0.35 0.00 2.61 4.01 -1.26 -4.98 118.16 122.37 2oqp n LYS 89 Ca 0.24 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 2oqp n LYS 89 Cb 0.09 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2oqp n HIS 90 N -3.10 0.00 -0.84 2.13 -0.00 -1.26 -4.69 115.22 107.47 2oqp n HIS 90 Ca -0.26 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.01 2oqp n HIS 90 Cb 0.76 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.66 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 0.00 0.78 -1.63 1.57 5.12 -1.26 -4.59 116.66 116.65 2oqp n ARG 91 Ca 0.00 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.48 2oqp n ARG 91 Cb 0.00 -2.72 0.00 0.00 -1.16 0.00 0.00 32.46 28.58 2oqp n ARG 91 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2oqp n LEU 92 N 8.23 -4.12 -4.10 0.55 4.32 -1.26 -4.88 117.00 115.74 2oqp n LEU 92 Ca 0.48 2.99 -0.36 0.00 -0.02 0.00 0.00 56.01 59.10 2oqp n LEU 92 Cb 0.41 -2.84 -0.11 0.00 -1.62 0.00 0.00 43.42 39.26 2oqp n LEU 92 CO 1.12 -0.07 -0.07 -0.89 -1.22 0.00 0.00 177.39 176.26 2oqp s THR 93 N -2.67 3.45 0.68 -5.08 2.01 -1.26 -4.90 115.64 107.87 2oqp s THR 93 Ca 0.00 -2.59 -0.17 0.00 0.31 0.00 0.00 61.69 59.24 2oqp s THR 93 Cb 0.00 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 2oqp s THR 93 CO 0.00 -0.79 0.99 0.00 -0.69 0.00 0.00 174.62 174.13 2oqp n PRO 95 N -1.60 2.32 -1.44 0.00 -0.04 -1.26 -4.81 135.00 128.18 2oqp n PRO 95 Ca 0.14 -2.65 0.12 0.00 -0.04 0.00 0.00 63.50 61.06 2oqp n PRO 95 Cb 0.49 -3.43 -0.07 0.00 -0.04 0.00 0.00 33.50 30.45 2oqp n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2oqp n SER 96 N 9.77 -7.47 -0.08 3.54 7.64 -1.26 -4.68 113.62 121.07 2oqp n SER 96 Ca 0.48 1.48 -0.12 0.00 1.01 0.00 0.00 58.87 61.72 2oqp n SER 96 Cb 0.44 -4.83 -0.07 0.00 -1.01 0.00 0.00 64.21 58.74 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp s ASP 98 N -6.24 5.94 -0.32 0.00 1.01 -1.26 -4.60 116.67 111.20 2oqp s ASP 98 Ca -0.19 -3.46 0.15 0.00 0.71 0.00 0.00 52.55 49.77 2oqp s ASP 98 Cb 0.03 -1.93 0.44 0.00 1.01 0.00 0.00 42.92 42.46 2oqp s ASP 98 CO 0.41 -0.25 1.42 -1.20 0.21 0.00 0.00 175.17 175.76 2oqp n SER 99 N 2.71 -0.68 0.08 0.27 7.64 -1.26 -4.97 113.62 117.41 2oqp n SER 99 Ca 0.18 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2oqp n SER 99 Cb 0.38 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2oqp n TYR 100 N -1.26 -1.08 0.00 1.43 4.01 -1.26 -5.03 117.16 113.97 2oqp n TYR 100 Ca -0.11 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2oqp n TYR 100 Cb 0.86 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 40.18 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 -3.32 0.00 0.00 -0.72 2.13 -1.26 -5.08 120.64 112.39 2oqp n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2oqp n GLU 101 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2oqp n GLU 101 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2oqp n LYS 102 N -0.65 0.76 -3.59 5.31 -0.00 -1.25 -3.44 118.16 115.30 2oqp n LYS 102 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2oqp n LYS 102 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2oqp s LYS 103 N -0.50 0.16 0.97 -1.58 1.02 0.54 -4.47 119.74 115.88 2oqp s LYS 103 Ca 0.00 -0.08 -0.14 0.00 0.02 0.00 0.00 55.97 55.77 2oqp s LYS 103 Cb 0.00 0.06 0.18 0.00 -0.52 0.00 0.00 37.83 37.54 2oqp s LYS 103 CO 0.00 -0.07 1.17 -1.25 -0.92 0.00 0.00 175.35 174.28 2oqp s PRO 104 N -2.17 0.62 0.11 -1.68 0.04 -1.26 -2.74 135.00 127.91 2oqp s PRO 104 Ca 0.14 0.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.18 2oqp s PRO 104 Cb 0.05 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 2oqp s PRO 104 CO -0.05 -2.51 1.28 -1.00 0.04 0.00 0.00 177.00 174.76 2oqp h PRO 105 N -1.72 0.62 -0.18 0.56 0.13 -1.88 0.64 132.00 130.18 2oqp h PRO 105 Ca -0.48 -0.60 0.03 0.00 -0.87 0.00 0.00 66.00 64.08 2oqp h PRO 105 Cb 1.31 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.56 2oqp h PRO 105 CO 0.52 1.21 -0.00 -0.22 -0.23 0.00 0.00 178.00 179.28 2oqp h LYS 106 N 0.38 0.06 0.39 0.86 3.11 -1.98 -1.31 116.57 118.07 2oqp h LYS 106 Ca -0.09 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 2oqp h LYS 106 Cb 1.55 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 2oqp h LYS 106 CO 0.17 0.04 -0.19 0.93 -2.81 0.00 0.00 179.45 177.59 2oqp h GLU 107 N 0.06 -0.50 -1.25 1.90 5.08 -1.95 -0.14 114.58 117.77 2oqp h GLU 107 Ca 0.08 0.03 0.43 0.00 -1.00 0.00 0.00 59.36 58.91 2oqp h GLU 107 Cb 0.10 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 2oqp h GLU 107 CO -0.14 -0.27 0.80 0.34 -1.00 0.00 0.00 179.01 178.74 2oqp n PHE 108 N -5.13 0.61 -0.03 4.33 7.35 0.22 0.21 117.46 125.02 2oqp n PHE 108 Ca -0.07 0.62 -0.19 0.00 -0.76 0.00 0.00 57.45 57.04 2oqp n PHE 108 Cb 0.24 -1.04 -0.13 0.00 0.35 0.00 0.00 39.48 38.89 2oqp n PHE 108 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2oqp h LEU 109 N 0.00 0.20 -1.91 -2.13 -0.00 -1.22 -1.47 115.31 108.78 2oqp h LEU 109 Ca 0.79 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2oqp h LEU 109 Cb 2.56 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 43.15 2oqp h LEU 109 CO -0.41 1.36 0.00 -0.33 -0.00 0.00 0.00 178.44 179.06 2oqp h GLU 110 N -0.68 0.00 0.02 1.13 4.39 0.34 -0.59 114.58 119.20 2oqp h GLU 110 Ca -0.19 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.17 2oqp h GLU 110 Cb 1.41 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.01 2oqp h GLU 110 CO -0.00 0.00 -1.91 0.54 -1.16 0.00 0.00 179.01 176.48 2oqp n ARG 111 N -2.65 0.62 0.45 2.33 5.12 0.57 -3.72 116.66 119.38 2oqp n ARG 111 Ca -0.01 0.38 -0.20 0.00 -1.93 0.00 0.00 57.85 56.09 2oqp n ARG 111 Cb 0.10 -1.64 -0.10 0.00 -1.16 0.00 0.00 32.46 29.66 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 -0.68 -1.26 -0.84 -1.55 3.57 -0.83 0.45 116.94 115.81 2oqp h PHE 112 Ca -0.49 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.17 2oqp h PHE 112 Cb 1.60 0.44 -0.11 0.00 2.79 0.00 0.00 35.95 40.67 2oqp h PHE 112 CO 0.03 -0.73 0.35 -0.22 -2.23 0.00 0.00 178.31 175.51 2oqp h LYS 113 N -1.22 0.42 0.10 1.11 3.11 -1.35 0.60 116.57 119.34 2oqp h LYS 113 Ca -0.11 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 2oqp h LYS 113 Cb 0.96 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 2oqp h LYS 113 CO 0.14 0.28 -0.05 1.03 -2.81 0.00 0.00 179.45 178.03 2oqp h SER 114 N 0.43 -0.12 -0.96 4.20 0.87 -1.55 0.65 113.55 117.07 2oqp h SER 114 Ca 0.49 -0.10 0.24 0.00 -1.23 0.00 0.00 61.79 61.20 2oqp h SER 114 Cb 0.84 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 2oqp h SER 114 CO -0.47 0.02 0.65 0.25 -0.53 0.00 0.00 176.83 176.75 2oqp h LEU 115 N -0.25 0.31 0.01 2.23 7.12 0.20 1.93 115.31 126.85 2oqp h LEU 115 Ca -0.01 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2oqp h LEU 115 Cb 0.21 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2oqp h LEU 115 CO 0.02 0.10 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.36 2oqp h LEU 116 N 0.29 -0.01 0.00 2.25 3.38 -0.31 -1.08 115.31 119.83 2oqp h LEU 116 Ca 0.50 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2oqp h LEU 116 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2oqp h LEU 116 CO -0.17 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2oqp n GLN 117 N -4.68 0.17 0.00 1.13 -0.00 0.22 0.12 117.38 114.34 2oqp n GLN 117 Ca -0.08 0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2oqp n GLN 117 Cb 0.36 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.10 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 -1.27 0.00 0.00 2.61 5.02 0.64 -4.33 118.16 120.84 2oqp n LYS 118 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2oqp n LYS 118 Cb 0.09 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 2oqp n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2oqp n MET 119 N -2.24 0.00 -0.32 1.97 2.81 -0.41 -1.18 117.12 117.74 2oqp n MET 119 Ca 0.00 0.46 0.12 0.00 -1.81 0.00 0.00 57.70 56.47 2oqp n MET 119 Cb 0.00 -1.05 0.23 0.00 -0.71 0.00 0.00 33.22 31.70 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2oqp n ILE 120 N -1.89 -0.39 0.00 2.02 -0.00 -0.72 0.21 119.36 118.59 2oqp n ILE 120 Ca 0.00 2.04 0.00 0.00 -0.00 0.00 0.00 62.75 64.79 2oqp n ILE 120 Cb 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 39.64 36.70 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 -5.39 0.00 -0.58 1.39 -0.00 0.32 -2.91 115.22 108.05 2oqp n HIS 121 Ca 0.20 0.00 0.47 0.00 0.46 0.00 0.00 57.72 58.85 2oqp n HIS 121 Cb 0.64 -0.26 0.74 0.00 -0.12 0.00 0.00 29.99 31.00 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 2oqp h GLN 122 N 0.00 0.00 -0.86 1.57 3.07 -0.16 0.37 115.11 119.11 2oqp h GLN 122 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.91 2oqp h GLN 122 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 27.40 2oqp h GLN 122 CO 0.00 0.00 -0.23 1.25 0.09 0.00 0.00 178.83 179.94 2oqp h HIS 123 N 0.00 -0.52 0.12 0.06 2.76 0.26 -0.09 115.15 117.74 2oqp h HIS 123 Ca 0.82 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 59.06 2oqp h HIS 123 Cb 3.50 0.36 0.00 0.00 1.55 0.00 0.00 27.41 32.83 2oqp h HIS 123 CO 0.00 -0.37 -0.06 1.25 -1.30 0.00 0.00 177.93 177.45 2oqp h LEU 124 N -0.01 -0.14 0.00 0.26 7.12 -0.36 -3.46 115.31 118.72 2oqp h LEU 124 Ca 0.40 -0.41 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2oqp h LEU 124 Cb 0.63 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 2oqp h LEU 124 CO -0.89 0.39 0.00 -0.24 -0.13 0.00 0.00 178.44 177.58 2oqp n SER 125 N -4.91 0.00 -4.75 1.25 2.88 -0.05 -4.90 113.62 103.14 2oqp n SER 125 Ca -0.08 0.00 -0.67 0.00 -1.33 0.00 0.00 58.87 56.79 2oqp n SER 125 Cb 0.27 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 2oqp n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2oqp n SER 126 N 2.89 1.29 -3.24 -3.46 2.88 -1.26 -4.89 113.62 107.83 2oqp n SER 126 Ca 0.00 1.18 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 2oqp n SER 126 Cb 0.00 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 62.53 2oqp n SER 126 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2oqp s ARG 127 N 3.03 1.96 -0.17 -1.46 0.52 -1.26 -5.03 118.95 116.54 2oqp s ARG 127 Ca 1.04 -1.62 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 2oqp s ARG 127 Cb -1.47 0.49 0.55 0.00 0.52 0.00 0.00 34.95 35.05 2oqp s ARG 127 CO 0.81 -0.84 1.36 -2.37 0.02 0.00 0.00 175.30 174.28 2oqp n THR 128 N -0.54 1.91 -0.05 0.02 5.66 -1.26 -4.05 114.28 115.97 2oqp n THR 128 Ca -0.02 -0.97 -0.10 0.00 -3.05 0.00 0.00 64.05 59.91 2oqp n THR 128 Cb 0.61 -0.37 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 2oqp n THR 128 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2oqp n HIS 129 N 0.35 0.00 -3.52 1.09 -0.00 -1.26 -5.05 115.22 106.83 2oqp n HIS 129 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2oqp n HIS 129 Cb 0.92 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.99 30.53 2oqp n HIS 129 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2oqp s GLY 130 N -5.15 -0.68 -0.18 1.57 0.00 -1.26 -5.15 107.32 96.47 2oqp s GLY 130 Ca -0.13 2.39 -0.08 0.00 0.00 0.00 0.00 44.72 46.89 2oqp s GLY 130 CO 0.17 3.16 0.09 -0.45 0.00 0.00 0.00 173.10 176.07 2oqp s SER 131 N 2.83 5.87 -0.19 1.64 0.15 -1.26 -4.31 113.70 118.43 2oqp s SER 131 Ca -0.01 0.17 -0.40 0.00 0.70 0.00 0.00 55.95 56.40 2oqp s SER 131 Cb -0.12 -2.00 -0.19 0.00 -1.71 0.00 0.00 66.02 62.01 2oqp s SER 131 CO -0.19 0.21 1.21 -0.62 1.20 0.00 0.00 173.24 175.05 2oqp n GLU 132 N 3.33 0.00 -1.44 5.44 -0.58 -1.26 -4.68 120.64 121.45 2oqp n GLU 132 Ca -0.17 0.00 -0.51 0.00 -0.42 0.00 0.00 57.16 56.06 2oqp n GLU 132 Cb 0.52 -1.42 -0.04 0.00 -0.57 0.00 0.00 31.44 29.93 2oqp n GLU 132 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2oqp n ASP 133 N 2.36 -0.74 0.00 1.62 5.75 -1.26 -5.15 116.55 119.12 2oqp n ASP 133 Ca 0.23 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.15 2oqp n ASP 133 Cb 0.02 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 2oqp n ASP 133 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89