#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp n GLN 2 N 0.00 0.99 -1.47 0.03 6.02 -1.26 -5.11 117.38 116.59 2oqp n GLN 2 Ca 0.00 -3.43 0.19 0.00 -0.01 0.00 0.00 57.00 53.75 2oqp n GLN 2 Cb 0.00 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oqp n GLY 3 N 1.17 -2.28 3.93 1.08 0.00 -1.26 -4.87 105.19 102.96 2oqp n GLY 3 Ca 0.23 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 2oqp n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqp s GLN 4 N -2.75 3.53 0.65 1.61 -0.21 -1.26 -5.05 119.66 116.18 2oqp s GLN 4 Ca 0.00 -0.14 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2oqp s GLN 4 Cb 0.00 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 2oqp s GLN 4 CO 0.00 0.09 1.00 -0.25 -2.12 0.00 0.00 175.29 174.01 2oqp n ASP 5 N -1.67 0.80 -0.07 5.90 8.00 -1.26 -4.89 116.55 123.37 2oqp n ASP 5 Ca -0.03 0.76 0.13 0.00 0.71 0.00 0.00 54.79 56.36 2oqp n ASP 5 Cb 0.55 -1.41 0.45 0.00 -0.02 0.00 0.00 41.12 40.69 2oqp n ASP 5 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2oqp n ARG 6 N -1.39 0.33 -0.05 -1.24 5.12 -1.26 -3.76 116.66 114.41 2oqp n ARG 6 Ca 0.14 -0.15 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 2oqp n ARG 6 Cb 0.48 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.28 2oqp n ARG 6 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2oqp h HIS 7 N 0.36 0.00 -1.05 -1.55 2.76 -1.98 -2.52 115.15 111.16 2oqp h HIS 7 Ca 0.00 0.00 0.33 0.00 -2.20 0.00 0.00 60.37 58.50 2oqp h HIS 7 Cb 0.46 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 29.28 2oqp h HIS 7 CO 0.00 0.00 0.62 0.00 -1.30 0.00 0.00 177.93 177.25 2oqp h MET 8 N -0.84 0.29 -0.00 5.26 -0.00 -1.97 1.38 114.93 119.04 2oqp h MET 8 Ca 0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 59.70 59.47 2oqp h MET 8 Cb 0.19 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2oqp h MET 8 CO 0.00 0.19 -0.90 -0.84 -0.00 0.00 0.00 176.91 175.36 2oqp h ILE 9 N 0.29 1.43 -0.13 -0.10 -0.00 -1.71 -3.02 117.51 114.27 2oqp h ILE 9 Ca 0.74 -2.48 0.04 0.00 -0.00 0.00 0.00 64.86 63.15 2oqp h ILE 9 Cb 1.79 2.41 -0.01 0.00 -0.00 0.00 0.00 36.82 41.02 2oqp h ILE 9 CO -0.55 0.73 0.48 -0.09 -0.00 0.00 0.00 178.15 178.72 2oqp h ARG 10 N 0.19 0.00 0.00 0.16 2.43 0.23 0.87 114.38 118.26 2oqp h ARG 10 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2oqp h ARG 10 Cb 1.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2oqp h ARG 10 CO 0.15 0.00 -0.01 0.52 -1.51 0.00 0.00 179.97 179.12 2oqp h MET 11 N 0.00 0.00 -0.82 0.20 2.86 -1.35 -2.87 114.93 112.95 2oqp h MET 11 Ca 0.06 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.90 2oqp h MET 11 Cb 1.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 2oqp h MET 11 CO -0.00 0.00 0.56 0.07 1.06 0.00 0.00 176.91 178.60 2oqp h ARG 12 N -0.02 0.28 -0.29 1.72 0.11 -1.50 0.28 114.38 114.96 2oqp h ARG 12 Ca 0.00 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 2oqp h ARG 12 Cb 0.01 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 2oqp h ARG 12 CO 0.00 0.18 -0.51 1.96 0.10 0.00 0.00 179.97 181.70 2oqp h GLN 13 N 0.29 0.81 -0.33 0.08 1.08 0.58 -0.22 115.11 117.40 2oqp h GLN 13 Ca 0.41 -0.49 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2oqp h GLN 13 Cb 1.18 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 2oqp h GLN 13 CO -0.11 1.12 0.18 -0.07 -0.95 0.00 0.00 178.83 179.01 2oqp h LEU 14 N 0.63 0.41 -0.66 1.46 3.38 -0.27 1.44 115.31 121.70 2oqp h LEU 14 Ca 0.02 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2oqp h LEU 14 Cb 1.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2oqp h LEU 14 CO 0.11 0.37 0.05 0.40 0.09 0.00 0.00 178.44 179.45 2oqp h ILE 15 N 0.41 1.26 -0.22 1.22 5.03 -1.15 -1.66 117.51 122.41 2oqp h ILE 15 Ca 0.12 -1.11 -0.05 0.00 -0.12 0.00 0.00 64.86 63.70 2oqp h ILE 15 Cb 0.05 0.72 -0.01 0.00 -3.03 0.00 0.00 36.82 34.56 2oqp h ILE 15 CO -0.02 0.41 -0.06 -0.78 -0.68 0.00 0.00 178.15 177.02 2oqp h ASP 16 N 1.00 0.43 -0.24 1.72 1.82 -0.52 -1.39 116.42 119.24 2oqp h ASP 16 Ca 0.19 -0.37 0.06 0.00 -0.39 0.00 0.00 57.03 56.52 2oqp h ASP 16 Cb 0.51 -0.12 -0.07 0.00 0.68 0.00 0.00 39.33 40.33 2oqp h ASP 16 CO 0.02 0.70 -0.24 0.40 -1.61 0.00 0.00 179.24 178.52 2oqp h ILE 17 N 0.16 0.40 0.44 2.25 2.04 0.22 1.39 117.51 124.41 2oqp h ILE 17 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2oqp h ILE 17 Cb 0.52 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2oqp h ILE 17 CO 0.02 0.00 -0.43 0.58 0.00 0.00 0.00 178.15 178.32 2oqp h VAL 18 N -0.24 0.14 -0.89 1.67 2.07 -1.24 -0.69 116.25 117.06 2oqp h VAL 18 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.83 2oqp h VAL 18 Cb 0.45 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2oqp h VAL 18 CO -0.38 0.00 0.58 -0.78 0.02 0.00 0.00 177.57 177.01 2oqp h ASP 19 N -0.88 0.54 0.10 0.57 3.58 -0.63 0.79 116.42 120.48 2oqp h ASP 19 Ca -0.04 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2oqp h ASP 19 Cb 0.78 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2oqp h ASP 19 CO -0.06 0.24 -0.17 -0.61 -2.88 0.00 0.00 179.24 175.76 2oqp h GLN 20 N 0.55 -0.32 -0.30 0.28 5.75 0.32 0.36 115.11 121.75 2oqp h GLN 20 Ca 0.46 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.98 2oqp h GLN 20 Cb 0.94 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2oqp h GLN 20 CO -0.20 -0.21 0.16 1.25 -2.65 0.00 0.00 178.83 177.17 2oqp h LEU 21 N -0.33 0.39 -0.76 -2.39 7.12 0.28 -2.29 115.31 117.33 2oqp h LEU 21 Ca 0.02 -0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.05 2oqp h LEU 21 Cb 0.35 -0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.30 2oqp h LEU 21 CO -0.09 0.38 0.37 0.11 -0.13 0.00 0.00 178.44 179.07 2oqp h LYS 22 N 0.37 0.56 0.00 1.25 1.57 -0.52 1.03 116.57 120.82 2oqp h LYS 22 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2oqp h LYS 22 Cb 0.08 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2oqp h LYS 22 CO -0.02 0.37 0.00 -0.97 -0.57 0.00 0.00 179.45 178.27 2oqp h ASN 23 N 0.58 0.00 -0.39 0.86 -1.24 0.28 0.13 115.58 115.81 2oqp h ASN 23 Ca 0.39 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 57.20 2oqp h ASN 23 Cb 0.49 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.42 2oqp h ASN 23 CO -0.32 0.00 -0.05 -1.22 -1.29 0.00 0.00 177.43 174.55 2oqp n TYR 24 N -2.52 1.20 -0.11 0.67 4.01 0.35 -4.68 117.16 116.08 2oqp n TYR 24 Ca -0.02 -1.63 0.26 0.00 -0.16 0.00 0.00 57.90 56.35 2oqp n TYR 24 Cb 0.05 -0.52 0.72 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.00 0.49 -0.11 -0.72 2.07 -0.30 0.81 116.25 119.49 2oqp h VAL 25 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 2oqp h VAL 25 Cb 1.73 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2oqp h VAL 25 CO 0.43 0.00 0.37 -1.13 0.02 0.00 0.00 177.57 177.26 2oqp h ASN 26 N 0.00 0.00 -1.15 0.57 -1.24 -1.83 0.40 115.58 112.33 2oqp h ASN 26 Ca 0.37 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.80 2oqp h ASN 26 Cb 1.59 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 40.23 2oqp h ASN 26 CO -0.00 0.00 -0.65 0.47 -1.29 0.00 0.00 177.43 175.96 2oqp n ASP 27 N -3.10 5.03 -4.29 1.15 9.92 0.28 -4.83 116.55 120.70 2oqp n ASP 27 Ca 0.00 -3.74 -0.29 0.00 -0.53 0.00 0.00 54.79 50.23 2oqp n ASP 27 Cb 0.45 -0.45 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 2oqp n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2oqp s LEU 28 N -3.60 2.09 -0.20 0.64 1.43 0.14 -2.36 118.68 116.82 2oqp s LEU 28 Ca 0.50 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2oqp s LEU 28 Cb 0.41 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2oqp s LEU 28 CO -0.08 0.27 -0.00 0.54 0.23 0.00 0.00 176.35 177.31 2oqp s VAL 29 N -0.65 3.93 -0.58 -1.59 0.11 -0.24 -3.75 120.40 117.63 2oqp s VAL 29 Ca 0.10 -0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 58.55 2oqp s VAL 29 Cb -0.09 -2.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 2oqp s VAL 29 CO 0.00 0.43 1.51 -2.16 -3.33 0.00 0.00 175.10 171.55 2oqp s PRO 30 N 1.04 3.15 0.19 1.54 0.04 -1.26 -4.72 135.00 134.97 2oqp s PRO 30 Ca 0.02 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.57 2oqp s PRO 30 Cb -0.14 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 2oqp s PRO 30 CO 0.02 -2.12 -0.07 -2.00 0.04 0.00 0.00 177.00 172.87 2oqp s GLU 31 N 5.85 1.20 -0.75 4.56 2.56 -1.26 -5.06 118.70 125.79 2oqp s GLU 31 Ca 0.55 -1.55 -0.26 0.00 0.00 0.00 0.00 54.97 53.71 2oqp s GLU 31 Cb -0.12 -0.68 -0.07 0.00 2.00 0.00 0.00 34.13 35.26 2oqp s GLU 31 CO 0.23 0.02 2.13 -0.06 -0.56 0.00 0.00 175.26 177.02 2oqp s PHE 32 N -3.32 1.48 -0.19 5.30 0.08 -1.26 -4.65 117.98 115.43 2oqp s PHE 32 Ca 0.22 1.18 -0.06 0.00 0.12 0.00 0.00 56.93 58.39 2oqp s PHE 32 Cb 0.03 -3.82 -0.03 0.00 -0.57 0.00 0.00 43.02 38.63 2oqp s PHE 32 CO 0.04 -1.93 0.03 -0.51 -0.10 0.00 0.00 175.22 172.76 2oqp s LEU 33 N 11.52 3.58 0.15 -0.37 1.02 -1.07 -4.90 118.68 128.61 2oqp s LEU 33 Ca 0.80 -0.03 -0.30 0.00 0.02 0.00 0.00 54.13 54.62 2oqp s LEU 33 Cb -0.11 -1.90 -0.07 0.00 0.02 0.00 0.00 46.19 44.12 2oqp s LEU 33 CO 0.10 0.14 1.13 -2.16 0.02 0.00 0.00 176.35 175.58 2oqp s PRO 34 N 0.58 4.54 -0.06 1.29 0.04 -1.26 0.65 135.00 140.78 2oqp s PRO 34 Ca 0.01 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 2oqp s PRO 34 Cb -0.13 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.14 2oqp s PRO 34 CO 0.02 -0.03 0.02 0.00 0.04 0.00 0.00 177.00 177.05 2oqp s ALA 35 N 0.12 0.49 -0.26 8.56 0.00 -1.24 -4.47 121.76 124.96 2oqp s ALA 35 Ca 0.52 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 2oqp s ALA 35 Cb -0.30 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 2oqp s ALA 35 CO 0.34 -0.43 1.33 -1.25 0.00 0.00 0.00 175.76 175.75 2oqp s PRO 36 N 1.94 3.98 -0.23 0.00 0.04 -1.26 -4.64 135.00 134.82 2oqp s PRO 36 Ca 0.03 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 2oqp s PRO 36 Cb -0.12 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 2oqp s PRO 36 CO -0.04 -1.04 0.21 -1.83 0.04 0.00 0.00 177.00 174.34 2oqp s GLU 37 N 4.06 4.09 -0.27 4.56 -1.05 -1.26 -4.69 118.70 124.15 2oqp s GLU 37 Ca 0.58 -0.18 -0.02 0.00 -0.15 0.00 0.00 54.97 55.20 2oqp s GLU 37 Cb -0.19 -3.54 0.01 0.00 -0.44 0.00 0.00 34.13 29.98 2oqp s GLU 37 CO 0.22 0.05 0.04 -3.47 0.95 0.00 0.00 175.26 173.05 2oqp n ASP 38 N 4.30 -6.63 -4.56 0.83 -0.08 -1.26 -5.02 116.55 104.14 2oqp n ASP 38 Ca -0.14 1.36 -0.32 0.00 -1.51 0.00 0.00 54.79 54.19 2oqp n ASP 38 Cb 0.52 -5.08 -0.11 0.00 2.34 0.00 0.00 41.12 38.79 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 -1.41 3.43 1.02 5.18 -7.23 -1.26 -5.08 120.40 115.05 2oqp s VAL 39 Ca -0.05 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.15 2oqp s VAL 39 Cb 0.00 -2.47 0.13 0.00 0.56 0.00 0.00 36.38 34.61 2oqp s VAL 39 CO 0.74 0.41 0.66 1.21 -0.31 0.00 0.00 175.10 177.80 2oqp n GLU 40 N 1.64 -1.04 0.08 4.82 2.13 -1.26 -4.52 120.64 122.50 2oqp n GLU 40 Ca -0.16 -0.26 0.07 0.00 0.66 0.00 0.00 57.16 57.47 2oqp n GLU 40 Cb 0.52 -2.03 0.33 0.00 0.27 0.00 0.00 31.44 30.53 2oqp n GLU 40 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2oqp n THR 41 N -4.23 1.39 -1.59 6.31 -1.04 -1.26 -0.47 114.28 113.40 2oqp n THR 41 Ca 0.06 0.56 0.06 0.00 -2.04 0.00 0.00 64.05 62.69 2oqp n THR 41 Cb 0.55 -1.53 0.12 0.00 -1.82 0.00 0.00 70.33 67.64 2oqp n THR 41 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2oqp n ASN 42 N -1.90 1.54 -0.02 8.00 2.85 -1.26 -4.67 115.26 119.80 2oqp n ASN 42 Ca -0.00 -2.95 -0.02 0.00 -0.11 0.00 0.00 54.58 51.49 2oqp n ASN 42 Cb 0.05 -0.39 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2oqp n GLU 44 N -2.50 -0.01 0.08 0.00 1.02 -0.84 0.13 120.64 118.51 2oqp n GLU 44 Ca -0.06 1.00 -0.04 0.00 -0.02 0.00 0.00 57.16 58.03 2oqp n GLU 44 Cb 0.58 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 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 -0.27 -0.17 -0.32 4.06 -1.87 -2.00 115.95 115.39 2oqp h TRP 45 Ca 0.80 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.79 2oqp h TRP 45 Cb 2.97 0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 31.21 2oqp h TRP 45 CO -0.00 -0.17 0.49 0.77 -3.56 0.00 0.00 178.44 175.97 2oqp h SER 46 N -1.02 0.00 0.71 -3.49 0.02 0.81 1.43 113.55 112.01 2oqp h SER 46 Ca -0.03 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.66 2oqp h SER 46 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2oqp h SER 46 CO 0.05 0.00 -1.30 0.00 -1.14 0.00 0.00 176.83 174.43 2oqp h ALA 47 N 1.18 0.36 -0.91 3.77 0.00 0.26 -3.33 119.26 120.59 2oqp h ALA 47 Ca 0.08 -1.06 0.23 0.00 0.00 0.00 0.00 54.91 54.17 2oqp h ALA 47 Cb 1.05 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 2oqp h ALA 47 CO -0.00 1.23 0.03 0.35 0.00 0.00 0.00 179.25 180.86 2oqp h PHE 48 N 0.03 -0.04 -0.67 0.00 3.57 0.28 0.87 116.94 120.98 2oqp h PHE 48 Ca -0.14 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.47 2oqp h PHE 48 Cb 1.91 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 40.76 2oqp h PHE 48 CO 0.03 -0.35 0.40 0.66 -2.23 0.00 0.00 178.31 176.81 2oqp h SER 49 N 0.06 0.62 -0.65 0.41 4.64 -1.67 -0.57 113.55 116.39 2oqp h SER 49 Ca 0.53 0.02 0.14 0.00 -0.47 0.00 0.00 61.79 62.00 2oqp h SER 49 Cb 1.03 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.91 2oqp h SER 49 CO -0.82 0.41 0.06 0.00 -0.87 0.00 0.00 176.83 175.62 2oqp h PHE 51 N 0.17 0.54 -0.13 0.00 0.04 -0.67 -0.75 116.94 116.14 2oqp h PHE 51 Ca 0.35 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 2oqp h PHE 51 Cb 0.57 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2oqp h PHE 51 CO -0.32 0.62 -0.40 1.96 -0.60 0.00 0.00 178.31 179.56 2oqp h GLN 52 N 0.46 0.50 0.00 1.51 7.50 0.13 -3.04 115.11 122.17 2oqp h GLN 52 Ca 0.08 -0.36 -0.04 0.00 0.50 0.00 0.00 58.65 58.83 2oqp h GLN 52 Cb 0.52 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 2oqp h GLN 52 CO 0.03 0.99 -0.17 -0.22 -1.50 0.00 0.00 178.83 177.96 2oqp h LYS 53 N 0.10 0.00 -0.76 1.46 3.64 0.25 -2.48 116.57 118.78 2oqp h LYS 53 Ca -0.01 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 2oqp h LYS 53 Cb 1.03 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 2oqp h LYS 53 CO 0.09 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 2oqp h ALA 54 N 1.83 0.78 -4.25 5.00 0.00 -1.01 -3.47 119.26 118.14 2oqp h ALA 54 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2oqp h ALA 54 Cb 0.30 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2oqp h ALA 54 CO 0.02 -0.43 -0.97 0.94 0.00 0.00 0.00 179.25 178.82 2oqp n GLN 55 N -5.35 -3.71 -2.44 0.00 7.27 -0.93 -4.88 117.38 107.33 2oqp n GLN 55 Ca 0.14 2.86 -0.42 0.00 0.07 0.00 0.00 57.00 59.65 2oqp n GLN 55 Cb 0.48 -3.87 -0.03 0.00 2.41 0.00 0.00 30.24 29.23 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 -0.47 4.37 -0.05 1.69 1.98 -1.26 -5.02 118.68 119.91 2oqp s LEU 56 Ca -0.11 1.99 0.05 0.00 -2.89 0.00 0.00 54.13 53.17 2oqp s LEU 56 Cb 0.01 -3.58 -0.01 0.00 0.66 0.00 0.00 46.19 43.27 2oqp s LEU 56 CO 0.29 -0.46 -0.21 -0.75 -1.89 0.00 0.00 176.35 173.34 2oqp s LYS 57 N 1.07 2.16 0.46 1.98 2.47 -1.26 -4.94 119.74 121.68 2oqp s LYS 57 Ca 0.58 -0.74 -0.05 0.00 -1.56 0.00 0.00 55.97 54.20 2oqp s LYS 57 Cb -0.29 -1.84 -0.04 0.00 -1.46 0.00 0.00 37.83 34.21 2oqp s LYS 57 CO 0.29 0.30 0.76 -1.54 0.16 0.00 0.00 175.35 175.32 2oqp s SER 58 N -0.03 6.29 0.52 1.43 1.04 -1.26 -1.07 113.70 120.61 2oqp s SER 58 Ca -0.04 0.90 0.30 0.00 0.48 0.00 0.00 55.95 57.59 2oqp s SER 58 Cb -0.13 -2.24 1.65 0.00 0.10 0.00 0.00 66.02 65.41 2oqp s SER 58 CO 0.03 -0.54 1.91 0.00 0.98 0.00 0.00 173.24 175.63 2oqp h ALA 59 N 0.36 1.10 0.00 5.32 0.00 -1.55 -3.37 119.26 121.12 2oqp h ALA 59 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2oqp h ALA 59 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2oqp h ALA 59 CO 0.62 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.86 2oqp n ASN 60 N -2.65 0.00 -3.55 0.00 3.02 -1.26 -4.78 115.26 106.04 2oqp n ASN 60 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2oqp n ASN 60 Cb 0.16 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 2oqp n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2oqp n THR 61 N 0.00 1.26 -2.71 3.41 -2.24 -1.26 -4.68 114.28 108.06 2oqp n THR 61 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2oqp n THR 61 Cb 0.00 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.04 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqp n GLY 62 N 4.62 2.49 0.40 3.38 0.00 -1.26 -5.02 105.19 109.80 2oqp n GLY 62 Ca 0.47 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.73 1.69 0.21 1.61 2.85 -1.26 -4.47 115.26 115.17 2oqp n ASN 63 Ca 0.00 0.08 0.14 0.00 -0.11 0.00 0.00 54.58 54.69 2oqp n ASN 63 Cb 0.00 -0.31 0.75 0.00 1.24 0.00 0.00 39.78 41.46 2oqp n ASN 63 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2oqp h ASN 64 N -0.30 0.00 -1.40 1.20 -0.26 -1.95 -2.78 115.58 110.10 2oqp h ASN 64 Ca -0.31 0.00 0.45 0.00 -0.56 0.00 0.00 56.30 55.88 2oqp h ASN 64 Cb 1.34 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.49 2oqp h ASN 64 CO -0.14 0.00 0.94 1.21 -1.06 0.00 0.00 177.43 178.38 2oqp n GLU 65 N -2.47 -0.02 -0.04 0.81 0.00 -1.26 0.19 120.64 117.84 2oqp n GLU 65 Ca -0.02 1.07 -0.20 0.00 0.00 0.00 0.00 57.16 58.01 2oqp n GLU 65 Cb 0.06 -2.21 -0.13 0.00 0.00 0.00 0.00 31.44 29.16 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 0.11 0.00 5.31 9.65 -1.84 -3.28 114.38 124.33 2oqp h ARG 66 Ca 0.80 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 59.49 2oqp h ARG 66 Cb 2.80 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 31.45 2oqp h ARG 66 CO -0.28 1.09 0.00 1.51 2.80 0.00 0.00 179.97 185.09 2oqp n ILE 67 N -4.26 1.00 0.09 1.20 0.00 0.41 -0.85 119.36 116.95 2oqp n ILE 67 Ca -0.23 0.56 -0.15 0.00 0.00 0.00 0.00 62.75 62.94 2oqp n ILE 67 Cb 0.72 -1.54 -0.08 0.00 0.00 0.00 0.00 39.64 38.74 2oqp n ILE 67 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2oqp h ILE 68 N 0.00 1.44 -0.03 9.51 5.03 0.20 -3.03 117.51 130.63 2oqp h ILE 68 Ca 0.00 -2.70 0.01 0.00 -0.12 0.00 0.00 64.86 62.04 2oqp h ILE 68 Cb 0.12 2.65 -0.00 0.00 -3.03 0.00 0.00 36.82 36.56 2oqp h ILE 68 CO 0.00 0.80 0.15 -1.13 -0.68 0.00 0.00 178.15 177.29 2oqp h ASN 69 N 0.16 0.00 0.18 1.72 -0.73 -1.05 0.45 115.58 116.31 2oqp h ASN 69 Ca -0.11 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.93 2oqp h ASN 69 Cb 1.75 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.33 2oqp h ASN 69 CO 0.18 0.00 -0.49 -0.37 -0.37 0.00 0.00 177.43 176.38 2oqp h VAL 70 N 0.00 1.33 0.00 2.57 -1.51 -1.59 -1.65 116.25 115.40 2oqp h VAL 70 Ca 0.01 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.74 2oqp h VAL 70 Cb 0.31 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2oqp h VAL 70 CO -0.00 0.52 -0.47 0.28 -1.23 0.00 0.00 177.57 176.67 2oqp h SER 71 N 0.29 0.00 0.21 4.19 0.02 -0.27 -3.17 113.55 114.81 2oqp h SER 71 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2oqp h SER 71 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2oqp h SER 71 CO 0.08 0.12 -0.10 0.40 -1.14 0.00 0.00 176.83 176.19 2oqp h ILE 72 N 0.00 0.00 -1.17 3.27 2.04 -0.93 1.47 117.51 122.19 2oqp h ILE 72 Ca -0.01 -0.36 0.33 0.00 1.00 0.00 0.00 64.86 65.82 2oqp h ILE 72 Cb 1.11 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2oqp h ILE 72 CO 0.01 0.00 0.82 0.07 0.00 0.00 0.00 178.15 179.05 2oqp h LYS 73 N -0.64 0.09 0.00 2.37 2.10 -1.46 0.57 116.57 119.60 2oqp h LYS 73 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2oqp h LYS 73 Cb 0.21 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2oqp h LYS 73 CO 0.05 0.06 -0.10 0.87 -2.00 0.00 0.00 179.45 178.33 2oqp h LYS 74 N 0.09 0.00 -1.48 0.07 1.79 -1.54 -3.31 116.57 112.19 2oqp h LYS 74 Ca 0.58 0.00 0.43 0.00 -2.18 0.00 0.00 60.65 59.49 2oqp h LYS 74 Cb 2.12 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.70 2oqp h LYS 74 CO -0.09 0.00 1.05 1.25 -1.08 0.00 0.00 179.45 180.58 2oqp h LEU 75 N -0.99 0.05 -4.64 2.94 5.85 0.33 -1.19 115.31 117.67 2oqp h LEU 75 Ca 0.00 0.02 -0.41 0.00 0.84 0.00 0.00 57.88 58.33 2oqp h LEU 75 Cb 0.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2oqp h LEU 75 CO 0.00 -0.02 1.84 1.17 -0.34 0.00 0.00 178.44 181.09 2oqp n LYS 76 N -4.18 2.66 -3.50 1.25 4.81 0.19 -4.65 118.16 114.75 2oqp n LYS 76 Ca 0.34 -1.53 -0.37 0.00 -0.87 0.00 0.00 58.31 55.88 2oqp n LYS 76 Cb 1.53 -2.38 -0.06 0.00 0.02 0.00 0.00 35.03 34.14 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2oqp s ARG 77 N 1.87 4.11 0.17 1.64 6.06 -0.45 -4.97 118.95 127.37 2oqp s ARG 77 Ca 0.62 0.26 -0.03 0.00 -2.50 0.00 0.00 55.73 54.09 2oqp s ARG 77 Cb 0.22 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 2oqp s ARG 77 CO -0.03 0.41 0.38 0.15 -2.50 0.00 0.00 175.30 173.70 2oqp s LYS 78 N -0.10 3.56 0.69 5.12 1.02 -1.26 -4.85 119.74 123.92 2oqp s LYS 78 Ca 0.21 -0.23 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 2oqp s LYS 78 Cb -0.15 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 2oqp s LYS 78 CO 0.08 0.44 1.06 -1.25 -0.92 0.00 0.00 175.35 174.76 2oqp s PRO 79 N -2.98 2.94 -0.05 -1.68 0.04 -1.26 -4.99 135.00 127.01 2oqp s PRO 79 Ca 0.39 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2oqp s PRO 79 Cb -0.12 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2oqp s PRO 79 CO 0.27 -1.10 1.22 -1.25 0.04 0.00 0.00 177.00 176.19 2oqp s PRO 80 N -5.05 4.34 0.00 0.56 0.04 -1.26 -4.12 135.00 129.51 2oqp s PRO 80 Ca 0.58 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2oqp s PRO 80 Cb -0.14 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2oqp s PRO 80 CO 0.55 -0.47 0.00 0.45 0.04 0.00 0.00 177.00 177.57 2oqp n SER 81 N 5.26 0.00 0.02 6.66 2.88 -1.26 -3.54 113.62 123.64 2oqp n SER 81 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2oqp n SER 81 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2oqp n SER 81 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2oqp n THR 82 N 0.00 0.00 0.00 2.46 5.66 -1.26 -5.03 114.28 116.11 2oqp n THR 82 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2oqp n THR 82 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2oqp n THR 82 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2oqp n ASN 83 N -2.47 0.00 0.00 1.09 0.23 -1.23 -4.67 115.26 108.21 2oqp n ASN 83 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2oqp n ASN 83 Cb 0.00 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqp n ALA 84 N -1.14 0.00 -1.25 -2.53 0.00 -1.26 -4.81 120.51 109.53 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2oqp n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqp n GLY 85 N 0.00 0.31 3.36 0.00 0.00 -1.26 -4.90 105.19 102.70 2oqp n GLY 85 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.68 -0.13 -1.25 1.61 1.74 -1.26 -4.68 116.66 112.01 2oqp n ARG 86 Ca 0.00 -0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 2oqp n ARG 86 Cb 0.00 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 29.64 2oqp n ARG 86 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2oqp n ARG 87 N -0.88 -2.88 -1.41 5.56 1.74 -1.26 -4.77 116.66 112.76 2oqp n ARG 87 Ca 0.06 2.34 -0.49 0.00 -0.77 0.00 0.00 57.85 58.99 2oqp n ARG 87 Cb 0.53 -3.37 -0.04 0.00 -1.02 0.00 0.00 32.46 28.56 2oqp n ARG 87 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2oqp n GLN 88 N -4.04 0.00 -3.64 5.56 6.02 -1.26 -4.95 117.38 115.08 2oqp n GLN 88 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.88 2oqp n GLN 88 Cb 0.59 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.79 2oqp n GLN 88 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2oqp s LYS 89 N -0.89 0.71 0.06 -1.09 1.02 -1.26 -4.96 119.74 113.32 2oqp s LYS 89 Ca 0.67 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 56.22 2oqp s LYS 89 Cb -0.96 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.64 2oqp s LYS 89 CO 0.56 -0.32 0.39 -2.39 -0.92 0.00 0.00 175.35 172.67 2oqp n HIS 90 N -0.38 -0.76 -3.50 3.18 1.44 -1.26 -4.96 115.22 108.98 2oqp n HIS 90 Ca -0.06 -0.43 -0.24 0.00 -2.01 0.00 0.00 57.72 54.98 2oqp n HIS 90 Cb 0.61 0.21 -0.04 0.00 0.12 0.00 0.00 29.99 30.89 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2oqp n ARG 91 N -0.28 -1.53 -2.83 -1.40 1.74 -1.26 -4.80 116.66 106.31 2oqp n ARG 91 Ca -0.00 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 2oqp n ARG 91 Cb 0.21 -4.17 -0.04 0.00 -1.02 0.00 0.00 32.46 27.44 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2oqp s LEU 92 N -5.81 4.02 0.00 0.55 1.43 -1.26 -4.78 118.68 112.83 2oqp s LEU 92 Ca 0.47 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2oqp s LEU 92 Cb -0.27 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2oqp s LEU 92 CO 0.57 -0.79 0.00 0.41 0.23 0.00 0.00 176.35 176.78 2oqp n THR 93 N 5.83 0.00 -1.31 5.49 -1.04 -1.26 -5.17 114.28 116.82 2oqp n THR 93 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2oqp n THR 93 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oqp n PRO 95 N -0.90 0.57 -4.00 0.00 -0.04 -1.26 -5.07 135.00 124.30 2oqp n PRO 95 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2oqp n PRO 95 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2oqp n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2oqp s SER 96 N -1.25 6.09 -1.23 3.54 0.01 -1.26 -5.00 113.70 114.60 2oqp s SER 96 Ca 0.00 0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.11 2oqp s SER 96 Cb 0.00 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 2oqp s SER 96 CO 0.00 0.00 1.94 0.00 0.41 0.00 0.00 173.24 175.59 2oqp n ASP 98 N 8.82 0.00 -3.59 0.00 5.68 -1.26 -4.94 116.55 121.26 2oqp n ASP 98 Ca 0.49 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.36 2oqp n ASP 98 Cb 0.43 0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 2oqp n ASP 98 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2oqp n SER 99 N -2.27 2.39 -0.50 -1.12 3.41 -1.24 -4.68 113.62 109.60 2oqp n SER 99 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2oqp n SER 99 Cb 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2oqp n TYR 100 N 7.53 -0.44 -3.54 7.33 4.02 -1.26 -4.96 117.16 125.83 2oqp n TYR 100 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 2oqp n TYR 100 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 2oqp n TYR 100 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2oqp n GLU 101 N 0.00 0.38 -4.14 -0.72 0.28 -1.26 -5.11 120.64 110.07 2oqp n GLU 101 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 2oqp n GLU 101 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 2oqp n GLU 101 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2oqp s LYS 102 N -0.61 2.64 0.15 3.44 -0.14 -1.26 -3.69 119.74 120.27 2oqp s LYS 102 Ca 0.00 -0.94 -0.01 0.00 -1.36 0.00 0.00 55.97 53.66 2oqp s LYS 102 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2oqp s LYS 102 CO 0.00 0.49 0.06 0.15 -0.76 0.00 0.00 175.35 175.29 2oqp s LYS 103 N -2.83 1.01 0.99 1.68 -0.14 0.21 -4.89 119.74 115.76 2oqp s LYS 103 Ca 0.28 -1.49 -0.15 0.00 -1.36 0.00 0.00 55.97 53.25 2oqp s LYS 103 Cb -0.10 0.17 0.19 0.00 -1.68 0.00 0.00 37.83 36.41 2oqp s LYS 103 CO 0.20 -0.27 1.18 -1.25 -0.76 0.00 0.00 175.35 174.46 2oqp s PRO 104 N -4.05 0.45 0.09 -1.68 0.04 -1.26 -2.59 135.00 126.00 2oqp s PRO 104 Ca 0.27 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 2oqp s PRO 104 Cb 0.07 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.64 2oqp s PRO 104 CO 0.04 -2.62 1.25 -1.00 0.04 0.00 0.00 177.00 174.71 2oqp h PRO 105 N -1.79 0.71 -0.56 0.56 0.13 -1.86 0.49 132.00 129.68 2oqp h PRO 105 Ca -0.48 -0.69 0.11 0.00 -0.87 0.00 0.00 66.00 64.08 2oqp h PRO 105 Cb 1.30 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.52 2oqp h PRO 105 CO 0.49 1.28 0.05 1.57 -0.23 0.00 0.00 178.00 181.16 2oqp h LYS 106 N 0.44 0.16 0.15 0.86 2.10 -1.97 0.40 116.57 118.71 2oqp h LYS 106 Ca -0.10 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2oqp h LYS 106 Cb 1.58 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 2oqp h LYS 106 CO 0.18 0.11 -0.07 1.49 -2.00 0.00 0.00 179.45 179.16 2oqp h GLU 107 N 0.17 -0.19 -1.43 0.07 4.22 -1.95 -1.46 114.58 114.01 2oqp h GLU 107 Ca 0.29 0.01 0.45 0.00 0.08 0.00 0.00 59.36 60.19 2oqp h GLU 107 Cb 0.44 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2oqp h GLU 107 CO -0.43 -0.09 0.98 0.34 -2.18 0.00 0.00 179.01 177.62 2oqp n PHE 108 N -4.91 0.33 -0.08 0.92 7.35 0.16 0.19 117.46 121.42 2oqp n PHE 108 Ca -0.03 0.33 -0.13 0.00 -0.76 0.00 0.00 57.45 56.87 2oqp n PHE 108 Cb 0.10 -0.76 -0.08 0.00 0.35 0.00 0.00 39.48 39.09 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 0.00 -2.26 -2.13 -0.00 -0.98 -1.45 115.31 108.50 2oqp h LEU 109 Ca 0.78 -0.47 0.04 0.00 -0.00 0.00 0.00 57.88 58.23 2oqp h LEU 109 Cb 2.82 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 43.48 2oqp h LEU 109 CO -0.22 1.05 0.24 1.05 -0.00 0.00 0.00 178.44 180.55 2oqp h GLU 110 N -1.00 0.00 0.00 1.13 4.11 0.17 0.14 114.58 119.13 2oqp h GLU 110 Ca -0.13 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.11 2oqp h GLU 110 Cb 0.85 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2oqp h GLU 110 CO -0.08 0.00 -1.10 -0.09 0.07 0.00 0.00 179.01 177.81 2oqp h ARG 111 N 0.00 0.00 -0.59 1.06 9.65 0.19 -3.16 114.38 121.54 2oqp h ARG 111 Ca 0.06 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.04 2oqp h ARG 111 Cb 0.54 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.04 2oqp h ARG 111 CO -0.00 0.90 0.19 0.35 2.80 0.00 0.00 179.97 184.21 2oqp h PHE 112 N -1.00 0.33 -0.61 2.20 3.57 -0.48 0.65 116.94 121.60 2oqp h PHE 112 Ca -0.29 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 2oqp h PHE 112 Cb 1.20 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 2oqp h PHE 112 CO 0.08 0.06 0.26 -0.22 -2.23 0.00 0.00 178.31 176.26 2oqp h LYS 113 N 0.36 0.90 0.25 1.11 3.11 -0.93 0.78 116.57 122.14 2oqp h LYS 113 Ca 0.30 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.97 2oqp h LYS 113 Cb 0.39 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2oqp h LYS 113 CO -0.32 0.75 -0.12 1.03 -2.81 0.00 0.00 179.45 177.98 2oqp h SER 114 N 0.84 -0.29 -0.58 4.20 0.87 -1.10 0.82 113.55 118.32 2oqp h SER 114 Ca 0.20 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2oqp h SER 114 Cb 0.18 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2oqp h SER 114 CO -0.02 -0.11 0.25 0.25 -0.53 0.00 0.00 176.83 176.68 2oqp h LEU 115 N -0.45 0.81 -0.94 2.23 7.12 0.40 2.21 115.31 126.69 2oqp h LEU 115 Ca -0.03 -0.10 -0.11 0.00 0.13 0.00 0.00 57.88 57.77 2oqp h LEU 115 Cb 0.34 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2oqp h LEU 115 CO 0.06 0.72 -0.45 0.25 -0.13 0.00 0.00 178.44 178.89 2oqp h LEU 116 N 0.87 0.19 -1.22 2.25 7.12 0.92 -0.81 115.31 124.64 2oqp h LEU 116 Ca 0.21 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.14 2oqp h LEU 116 Cb 0.15 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2oqp h LEU 116 CO -0.02 0.61 -0.22 0.00 -0.13 0.00 0.00 178.44 178.69 2oqp n GLN 117 N -4.00 1.59 0.00 1.25 -0.00 0.28 -1.07 117.38 115.43 2oqp n GLN 117 Ca -0.02 -1.22 0.00 0.00 -0.00 0.00 0.00 57.00 55.76 2oqp n GLN 117 Cb 0.50 -1.47 0.00 0.00 -0.00 0.00 0.00 30.24 29.26 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2oqp n LYS 118 N 0.36 0.00 -0.00 2.61 4.81 0.74 -4.44 118.16 122.23 2oqp n LYS 118 Ca 0.13 0.12 -0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2oqp n LYS 118 Cb 0.48 -0.55 -0.00 0.00 0.02 0.00 0.00 35.03 34.98 2oqp n LYS 118 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2oqp h MET 119 N 0.00 0.00 -0.82 1.64 4.05 -1.38 -3.28 114.93 115.15 2oqp h MET 119 Ca 0.00 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2oqp h MET 119 Cb 0.00 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.68 2oqp h MET 119 CO 0.00 0.00 -0.39 -0.89 0.23 0.00 0.00 176.91 175.86 2oqp n ILE 120 N -2.05 -0.49 -0.35 1.77 -0.00 -1.21 0.21 119.36 117.24 2oqp n ILE 120 Ca -0.00 1.94 0.06 0.00 -0.00 0.00 0.00 62.75 64.75 2oqp n ILE 120 Cb 0.00 -2.49 0.15 0.00 -0.00 0.00 0.00 39.64 37.30 2oqp n ILE 120 CO 0.00 0.00 0.00 -0.74 -0.00 0.00 0.00 176.55 175.81 2oqp h HIS 121 N 0.00 -0.48 -1.64 1.39 2.76 -1.28 1.47 115.15 117.37 2oqp h HIS 121 Ca 0.21 0.09 0.49 0.00 -2.20 0.00 0.00 60.37 58.96 2oqp h HIS 121 Cb 0.42 0.37 -0.08 0.00 1.55 0.00 0.00 27.41 29.66 2oqp h HIS 121 CO -0.77 -0.42 1.16 1.04 -1.30 0.00 0.00 177.93 177.64 2oqp n GLN 122 N -5.61 -0.01 -0.32 5.26 1.13 0.55 0.60 117.38 118.98 2oqp n GLN 122 Ca 0.16 1.00 0.20 0.00 -1.94 0.00 0.00 57.00 56.42 2oqp n GLN 122 Cb 0.51 -2.22 0.38 0.00 0.11 0.00 0.00 30.24 29.01 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 -3.89 0.78 -0.13 1.08 -0.00 0.50 -1.80 115.22 111.76 2oqp n HIS 123 Ca 0.39 1.13 -0.28 0.00 0.46 0.00 0.00 57.72 59.42 2oqp n HIS 123 Cb 1.71 -1.32 -0.10 0.00 -0.12 0.00 0.00 29.99 30.16 2oqp n HIS 123 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2oqp n LEU 124 N -5.30 2.02 -1.11 0.27 7.94 0.20 -5.10 117.00 115.91 2oqp n LEU 124 Ca 0.27 0.32 0.15 0.00 -1.11 0.00 0.00 56.01 55.64 2oqp n LEU 124 Cb 0.90 -0.84 -0.04 0.00 0.53 0.00 0.00 43.42 43.97 2oqp n LEU 124 CO -0.04 0.57 -0.22 -1.20 -1.11 0.00 0.00 177.39 175.40 2oqp n SER 125 N -4.20 -6.62 -2.09 1.96 7.64 -0.74 -5.03 113.62 104.54 2oqp n SER 125 Ca -0.52 0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2oqp n SER 125 Cb 0.88 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 2oqp n SER 125 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oqp n SER 126 N -3.53 -8.80 -1.18 6.43 7.64 -1.26 -4.96 113.62 107.96 2oqp n SER 126 Ca 0.00 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.34 2oqp n SER 126 Cb 0.51 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2oqp n ARG 127 N 1.79 -3.02 0.00 1.43 0.00 -1.26 -5.04 116.66 110.57 2oqp n ARG 127 Ca 0.00 2.25 0.00 0.00 -0.00 0.00 0.00 57.85 60.10 2oqp n ARG 127 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.11 2oqp n ARG 127 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2oqp n THR 128 N 0.46 0.00 -0.73 5.15 5.66 -1.26 -5.13 114.28 118.43 2oqp n THR 128 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 2oqp n THR 128 Cb 0.00 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 68.99 2oqp n THR 128 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2oqp s HIS 129 N 0.00 1.61 0.00 1.09 3.76 -1.26 -5.00 115.29 115.49 2oqp s HIS 129 Ca 0.00 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 2oqp s HIS 129 Cb 0.00 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.52 2oqp s HIS 129 CO 0.00 -3.37 0.00 0.41 -0.85 0.00 0.00 174.74 170.93 2oqp n GLY 130 N 0.23 1.27 1.44 -2.22 0.00 -1.26 -5.17 105.19 99.48 2oqp n GLY 130 Ca 0.05 0.33 0.18 0.00 0.00 0.00 0.00 46.02 46.59 2oqp n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oqp n SER 131 N 0.00 -8.05 0.05 1.61 3.41 -1.26 -4.98 113.62 104.39 2oqp n SER 131 Ca 0.00 1.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.95 2oqp n SER 131 Cb 0.00 -4.87 0.00 0.00 -0.26 0.00 0.00 64.21 59.08 2oqp n SER 131 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2oqp n GLU 132 N -4.33 0.00 -3.63 4.33 4.71 -1.26 -5.13 120.64 115.33 2oqp n GLU 132 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 56.97 2oqp n GLU 132 Cb 0.68 -0.45 -0.03 0.00 -1.01 0.00 0.00 31.44 30.63 2oqp n GLU 132 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2oqp s ASP 133 N -5.90 -0.38 0.00 1.62 1.01 -1.26 -5.36 116.67 106.40 2oqp s ASP 133 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.95 2oqp s ASP 133 Cb 0.00 0.61 0.00 0.00 1.01 0.00 0.00 42.92 44.54 2oqp s ASP 133 CO 0.00 -1.07 0.00 -1.20 0.21 0.00 0.00 175.17 173.11