#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 0.24 -0.82 0.03 1.11 -1.26 -5.06 119.66 113.91 2oqp s GLN 2 Ca 0.00 0.42 -0.22 0.00 0.01 0.00 0.00 55.36 55.58 2oqp s GLN 2 Cb 0.00 0.23 -0.15 0.00 -1.01 0.00 0.00 33.01 32.09 2oqp s GLN 2 CO 0.00 -0.27 1.94 0.41 0.01 0.00 0.00 175.29 177.37 2oqp n GLY 3 N 5.46 2.57 0.16 3.09 0.00 -1.26 -2.55 105.19 112.65 2oqp n GLY 3 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2oqp n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqp n GLN 4 N 7.04 0.00 -0.87 1.61 10.64 -1.26 -4.98 117.38 129.56 2oqp n GLN 4 Ca 0.49 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.31 2oqp n GLN 4 Cb 0.41 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.88 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2oqp n ASP 5 N -1.31 -3.32 -0.62 2.61 9.92 -1.06 -4.12 116.55 118.65 2oqp n ASP 5 Ca 0.00 0.06 0.48 0.00 -0.53 0.00 0.00 54.79 54.79 2oqp n ASP 5 Cb 0.00 -0.81 0.75 0.00 -0.64 0.00 0.00 41.12 40.42 2oqp n ASP 5 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2oqp n ARG 6 N 0.46 -0.01 -0.17 -1.24 1.85 -1.26 0.11 116.66 116.40 2oqp n ARG 6 Ca 0.00 1.07 -0.04 0.00 -1.00 0.00 0.00 57.85 57.88 2oqp n ARG 6 Cb 0.64 -2.37 0.03 0.00 -1.05 0.00 0.00 32.46 29.71 2oqp n ARG 6 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2oqp h HIS 7 N 0.00 -0.57 0.66 2.89 3.86 -1.89 0.23 115.15 120.34 2oqp h HIS 7 Ca 0.88 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 60.11 2oqp h HIS 7 Cb 3.36 0.33 0.01 0.00 1.06 0.00 0.00 27.41 32.16 2oqp h HIS 7 CO -0.00 -0.31 -0.32 1.98 0.86 0.00 0.00 177.93 180.14 2oqp h MET 8 N -0.10 -0.86 -1.41 2.45 1.85 0.59 -2.88 114.93 114.57 2oqp h MET 8 Ca 0.24 0.06 0.48 0.00 -0.61 0.00 0.00 59.70 59.87 2oqp h MET 8 Cb 0.48 0.19 -0.14 0.00 0.43 0.00 0.00 31.60 32.57 2oqp h MET 8 CO -0.59 -0.57 0.91 0.82 -0.40 0.00 0.00 176.91 177.08 2oqp h ILE 9 N -1.10 0.01 -0.99 1.77 5.03 -1.41 0.45 117.51 121.28 2oqp h ILE 9 Ca -0.09 -0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.78 2oqp h ILE 9 Cb 0.68 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.33 2oqp h ILE 9 CO 0.15 0.00 -0.47 -0.09 -0.68 0.00 0.00 178.15 177.06 2oqp h ARG 10 N 0.01 -0.01 0.00 2.37 9.65 -0.32 0.81 114.38 126.89 2oqp h ARG 10 Ca 0.89 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 59.49 2oqp h ARG 10 Cb 2.88 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 31.41 2oqp h ARG 10 CO -0.45 -0.00 -1.97 0.00 2.80 0.00 0.00 179.97 180.34 2oqp n MET 11 N -5.39 0.66 -0.09 0.20 0.00 0.12 -4.02 117.12 108.59 2oqp n MET 11 Ca 0.07 0.11 -0.08 0.00 0.00 0.00 0.00 57.70 57.80 2oqp n MET 11 Cb 0.35 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.91 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 0.00 0.33 -0.45 3.17 2.43 0.48 -0.88 114.38 119.46 2oqp h ARG 12 Ca -0.35 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 2oqp h ARG 12 Cb 1.94 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.39 2oqp h ARG 12 CO 0.04 0.22 0.18 1.96 -1.51 0.00 0.00 179.97 180.86 2oqp h GLN 13 N 0.34 0.63 0.10 0.20 1.08 0.43 -1.23 115.11 116.66 2oqp h GLN 13 Ca 0.14 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2oqp h GLN 13 Cb 0.05 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2oqp h GLN 13 CO -0.10 0.52 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.19 2oqp h LEU 14 N 0.63 -0.12 -0.95 1.46 3.38 -1.43 1.41 115.31 119.70 2oqp h LEU 14 Ca 0.16 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.42 2oqp h LEU 14 Cb 0.12 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.75 2oqp h LEU 14 CO -0.02 -0.08 0.33 0.40 0.09 0.00 0.00 178.44 179.17 2oqp h ILE 15 N -0.15 0.22 0.58 1.22 5.03 -1.16 0.28 117.51 123.52 2oqp h ILE 15 Ca -0.01 -0.06 -0.03 0.00 -0.12 0.00 0.00 64.86 64.64 2oqp h ILE 15 Cb 0.11 0.03 0.01 0.00 -3.03 0.00 0.00 36.82 33.93 2oqp h ILE 15 CO 0.02 0.03 -0.28 -0.78 -0.68 0.00 0.00 178.15 176.47 2oqp h ASP 16 N 0.17 -0.66 -0.92 1.72 3.58 -1.07 -1.45 116.42 117.80 2oqp h ASP 16 Ca 0.65 -0.04 0.25 0.00 0.42 0.00 0.00 57.03 58.31 2oqp h ASP 16 Cb 1.44 0.17 -0.16 0.00 1.72 0.00 0.00 39.33 42.50 2oqp h ASP 16 CO -0.70 -0.31 0.10 0.40 -2.88 0.00 0.00 179.24 175.85 2oqp h ILE 17 N -1.05 0.15 0.59 2.25 2.04 0.50 0.76 117.51 122.76 2oqp h ILE 17 Ca -0.08 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2oqp h ILE 17 Cb 0.66 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2oqp h ILE 17 CO 0.13 0.01 -0.32 0.58 0.00 0.00 0.00 178.15 178.55 2oqp h VAL 18 N 0.08 0.34 -0.86 1.67 2.07 -0.46 -0.97 116.25 118.12 2oqp h VAL 18 Ca 0.56 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.27 2oqp h VAL 18 Cb 1.15 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2oqp h VAL 18 CO -0.80 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 176.58 2oqp h ASP 19 N -0.85 0.42 0.14 0.57 3.58 0.81 0.56 116.42 121.65 2oqp h ASP 19 Ca -0.08 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2oqp h ASP 19 Cb 0.67 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2oqp h ASP 19 CO 0.10 0.18 -0.07 -0.61 -2.88 0.00 0.00 179.24 175.97 2oqp h GLN 20 N 0.43 -0.18 -0.37 0.28 5.75 0.12 0.08 115.11 121.21 2oqp h GLN 20 Ca 0.44 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.89 2oqp h GLN 20 Cb 1.06 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 2oqp h GLN 20 CO -0.16 -0.08 -0.03 1.25 -2.65 0.00 0.00 178.83 177.15 2oqp h LEU 21 N -0.24 0.67 -0.02 -2.39 7.12 0.27 -3.05 115.31 117.68 2oqp h LEU 21 Ca -0.02 -0.33 0.02 0.00 0.13 0.00 0.00 57.88 57.68 2oqp h LEU 21 Cb 0.19 -0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 40.08 2oqp h LEU 21 CO 0.03 0.84 -0.53 0.11 -0.13 0.00 0.00 178.44 178.76 2oqp h LYS 22 N 0.49 -0.64 -0.67 1.25 1.57 0.22 0.71 116.57 119.50 2oqp h LYS 22 Ca 0.10 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 2oqp h LYS 22 Cb 0.51 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2oqp h LYS 22 CO 0.03 -0.42 0.80 -0.91 -0.57 0.00 0.00 179.45 178.37 2oqp h ASN 23 N -0.66 0.00 -0.91 0.86 4.21 -0.94 1.38 115.58 119.51 2oqp h ASN 23 Ca 0.02 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.92 2oqp h ASN 23 Cb 0.72 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 37.61 2oqp h ASN 23 CO -0.37 0.00 0.47 -1.22 -1.29 0.00 0.00 177.43 175.03 2oqp n TYR 24 N -3.44 3.00 0.26 1.19 4.01 0.24 -4.60 117.16 117.83 2oqp n TYR 24 Ca 0.14 -2.67 0.10 0.00 -0.16 0.00 0.00 57.90 55.31 2oqp n TYR 24 Cb 1.03 -1.13 0.69 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.23 0.87 -0.03 -0.72 2.07 0.22 -0.26 116.25 119.63 2oqp h VAL 25 Ca 0.54 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.89 2oqp h VAL 25 Cb 1.23 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2oqp h VAL 25 CO 1.31 0.05 0.39 -1.13 0.02 0.00 0.00 177.57 178.22 2oqp h ASN 26 N 0.00 0.00 -1.35 0.57 -1.24 -1.81 0.46 115.58 112.20 2oqp h ASN 26 Ca -0.00 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.39 2oqp h ASN 26 Cb 0.10 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 38.76 2oqp h ASN 26 CO 0.01 0.00 -0.34 0.47 -1.29 0.00 0.00 177.43 176.28 2oqp n ASP 27 N -2.91 5.45 -4.20 1.15 9.92 -0.11 -4.84 116.55 121.03 2oqp n ASP 27 Ca -0.01 -3.75 -0.31 0.00 -0.53 0.00 0.00 54.79 50.18 2oqp n ASP 27 Cb 0.45 -0.57 -0.17 0.00 -0.64 0.00 0.00 41.12 40.19 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 -3.66 2.04 -0.22 0.64 1.43 0.16 -2.20 118.68 116.86 2oqp s LEU 28 Ca 0.51 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2oqp s LEU 28 Cb 0.42 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2oqp s LEU 28 CO -0.15 0.15 0.19 0.54 0.23 0.00 0.00 176.35 177.30 2oqp s VAL 29 N 0.37 5.35 -0.42 -1.59 0.11 -0.25 -4.23 120.40 119.75 2oqp s VAL 29 Ca -0.18 0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2oqp s VAL 29 Cb -0.18 -3.53 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2oqp s VAL 29 CO 0.08 0.36 1.42 -2.16 -3.33 0.00 0.00 175.10 171.47 2oqp s PRO 30 N 0.88 3.56 0.11 1.54 0.04 -1.26 -4.76 135.00 135.12 2oqp s PRO 30 Ca 0.09 0.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 2oqp s PRO 30 Cb -0.13 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2oqp s PRO 30 CO 0.03 -1.58 0.05 -1.21 0.04 0.00 0.00 177.00 174.33 2oqp s GLU 31 N 4.97 0.87 -0.74 4.56 0.41 -1.26 -5.07 118.70 122.43 2oqp s GLU 31 Ca 0.61 -1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 53.54 2oqp s GLU 31 Cb -0.13 0.24 -0.09 0.00 -1.78 0.00 0.00 34.13 32.37 2oqp s GLU 31 CO 0.33 -0.24 2.24 -0.06 -0.49 0.00 0.00 175.26 177.05 2oqp s PHE 32 N -4.01 1.33 -0.15 1.61 0.08 -1.26 -4.71 117.98 110.86 2oqp s PHE 32 Ca 0.20 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.70 2oqp s PHE 32 Cb 0.07 -3.68 -0.02 0.00 -0.57 0.00 0.00 43.02 38.83 2oqp s PHE 32 CO -0.01 -1.88 -0.09 -0.51 -0.10 0.00 0.00 175.22 172.63 2oqp s LEU 33 N 12.59 2.91 -0.46 -0.37 1.02 -1.20 -4.93 118.68 128.23 2oqp s LEU 33 Ca 0.86 -0.27 -0.28 0.00 0.02 0.00 0.00 54.13 54.45 2oqp s LEU 33 Cb -0.12 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.41 2oqp s LEU 33 CO 0.11 0.14 1.44 -2.16 0.02 0.00 0.00 176.35 175.90 2oqp s PRO 34 N 0.51 3.45 -0.25 1.29 0.04 -1.26 -1.39 135.00 137.39 2oqp s PRO 34 Ca -0.07 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.79 2oqp s PRO 34 Cb -0.15 -4.07 0.06 0.00 0.04 0.00 0.00 34.50 30.38 2oqp s PRO 34 CO 0.04 -1.73 -0.06 0.00 0.04 0.00 0.00 177.00 175.29 2oqp s ALA 35 N 5.79 2.20 -0.24 8.56 0.00 -1.26 -4.26 121.76 132.55 2oqp s ALA 35 Ca 0.60 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 2oqp s ALA 35 Cb -0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 2oqp s ALA 35 CO 0.30 -1.23 1.32 -1.25 0.00 0.00 0.00 175.76 174.90 2oqp s PRO 36 N 1.28 4.02 -0.37 0.00 0.04 -1.26 -4.87 135.00 133.84 2oqp s PRO 36 Ca -0.06 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 2oqp s PRO 36 Cb -0.19 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2oqp s PRO 36 CO -0.06 -0.98 0.25 -2.00 0.04 0.00 0.00 177.00 174.25 2oqp s GLU 37 N 3.97 3.21 0.00 4.56 -6.30 -1.26 -4.71 118.70 118.17 2oqp s GLU 37 Ca 0.57 -0.84 0.00 0.00 -2.50 0.00 0.00 54.97 52.20 2oqp s GLU 37 Cb -0.19 -3.85 0.00 0.00 0.00 0.00 0.00 34.13 30.09 2oqp s GLU 37 CO 0.21 -0.59 0.00 -3.47 0.02 0.00 0.00 175.26 171.43 2oqp n ASP 38 N 5.11 -1.60 -4.48 -1.70 -0.08 -1.26 -5.02 116.55 107.52 2oqp n ASP 38 Ca -0.12 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.83 2oqp n ASP 38 Cb 0.48 -0.80 -0.13 0.00 2.34 0.00 0.00 41.12 43.01 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 0.00 3.23 0.73 5.18 -7.23 -1.26 -4.87 120.40 116.18 2oqp s VAL 39 Ca 0.00 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2oqp s VAL 39 Cb 0.00 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.65 2oqp s VAL 39 CO 0.00 0.58 0.91 1.21 -0.31 0.00 0.00 175.10 177.49 2oqp n GLU 40 N 2.56 0.43 -0.68 4.82 2.13 -1.26 -4.55 120.64 124.10 2oqp n GLU 40 Ca -0.18 0.20 0.52 0.00 0.66 0.00 0.00 57.16 58.36 2oqp n GLU 40 Cb 0.52 -2.18 0.80 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.59 -0.01 -2.57 6.31 -1.04 -1.26 0.19 114.28 113.31 2oqp n THR 41 Ca 0.12 1.47 -0.24 0.00 -2.04 0.00 0.00 64.05 63.36 2oqp n THR 41 Cb 0.50 -2.45 -0.00 0.00 -1.82 0.00 0.00 70.33 66.56 2oqp n THR 41 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2oqp n ASN 42 N -3.91 4.16 0.00 8.00 4.13 -1.26 -4.64 115.26 121.74 2oqp n ASN 42 Ca 0.43 -3.57 0.00 0.00 1.68 0.00 0.00 54.58 53.13 2oqp n ASN 42 Cb 1.95 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 39.71 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oqp n GLU 44 N -1.95 -0.02 0.13 0.00 4.71 -1.18 0.22 120.64 122.55 2oqp n GLU 44 Ca 0.00 0.96 -0.10 0.00 -0.01 0.00 0.00 57.16 58.01 2oqp n GLU 44 Cb 0.23 -1.96 -0.06 0.00 -1.01 0.00 0.00 31.44 28.65 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 -0.38 0.00 -0.32 4.06 -1.89 -0.23 115.95 117.19 2oqp h TRP 45 Ca 0.71 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.65 2oqp h TRP 45 Cb 2.40 0.13 0.00 0.00 -1.00 0.00 0.00 29.16 30.69 2oqp h TRP 45 CO -0.00 -0.09 0.24 0.77 -3.56 0.00 0.00 178.44 175.80 2oqp h SER 46 N -1.01 0.00 0.59 -3.49 0.02 0.24 1.46 113.55 111.36 2oqp h SER 46 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2oqp h SER 46 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2oqp h SER 46 CO 0.07 0.00 -1.04 0.00 -1.14 0.00 0.00 176.83 174.72 2oqp n ALA 47 N -1.92 3.08 -0.10 3.77 0.00 0.19 -4.15 120.51 121.38 2oqp n ALA 47 Ca -0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 2oqp n ALA 47 Cb 0.29 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 2oqp n ALA 47 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2oqp h PHE 48 N 0.00 0.39 -0.61 0.00 3.04 0.39 -2.47 116.94 117.68 2oqp h PHE 48 Ca 0.00 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.03 2oqp h PHE 48 Cb 0.81 -0.13 -0.06 0.00 2.56 0.00 0.00 35.95 39.14 2oqp h PHE 48 CO 0.00 0.24 0.29 0.77 -2.02 0.00 0.00 178.31 177.59 2oqp h SER 49 N 0.42 0.39 -0.78 0.41 0.02 -1.71 -1.80 113.55 110.50 2oqp h SER 49 Ca 0.12 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 2oqp h SER 49 Cb -0.03 -0.02 -0.13 0.00 0.14 0.00 0.00 62.40 62.36 2oqp h SER 49 CO -0.04 0.24 -0.39 0.00 -1.14 0.00 0.00 176.83 175.51 2oqp h PHE 51 N -0.10 0.73 0.46 0.00 0.04 -1.25 0.02 116.94 116.85 2oqp h PHE 51 Ca 0.27 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 2oqp h PHE 51 Cb 0.57 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 2oqp h PHE 51 CO -0.77 0.20 -0.31 0.37 -0.60 0.00 0.00 178.31 177.20 2oqp h GLN 52 N 0.55 -0.71 0.00 1.51 4.15 0.21 -0.92 115.11 119.91 2oqp h GLN 52 Ca 0.50 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.97 2oqp h GLN 52 Cb 1.03 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2oqp h GLN 52 CO -0.24 -0.47 0.03 1.57 -1.93 0.00 0.00 178.83 177.79 2oqp h LYS 53 N -0.73 0.00 0.32 1.69 2.10 -0.77 -2.57 116.57 116.61 2oqp h LYS 53 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2oqp h LYS 53 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2oqp h LYS 53 CO 0.05 0.00 -0.16 0.00 -2.00 0.00 0.00 179.45 177.34 2oqp h ALA 54 N 1.92 -0.90 -3.98 0.07 0.00 0.37 -3.48 119.26 113.27 2oqp h ALA 54 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2oqp h ALA 54 Cb 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2oqp h ALA 54 CO 0.00 -0.86 -0.75 0.94 0.00 0.00 0.00 179.25 178.58 2oqp n GLN 55 N -3.42 -3.65 -2.39 0.00 7.27 -0.87 -4.91 117.38 109.41 2oqp n GLN 55 Ca -0.05 2.81 -0.41 0.00 0.07 0.00 0.00 57.00 59.41 2oqp n GLN 55 Cb 0.17 -3.55 -0.04 0.00 2.41 0.00 0.00 30.24 29.24 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 -0.43 4.47 -0.10 1.69 1.98 -1.26 -5.03 118.68 120.01 2oqp s LEU 56 Ca -0.02 2.26 0.00 0.00 -2.89 0.00 0.00 54.13 53.48 2oqp s LEU 56 Cb 0.00 -3.61 0.02 0.00 0.66 0.00 0.00 46.19 43.26 2oqp s LEU 56 CO 0.06 -0.32 -0.09 -0.75 -1.89 0.00 0.00 176.35 173.36 2oqp s LYS 57 N -0.59 1.56 0.52 1.98 2.47 -1.26 -4.93 119.74 119.48 2oqp s LYS 57 Ca 0.51 -0.30 -0.15 0.00 -1.56 0.00 0.00 55.97 54.47 2oqp s LYS 57 Cb -0.33 -1.52 -0.07 0.00 -1.46 0.00 0.00 37.83 34.46 2oqp s LYS 57 CO 0.38 -0.18 0.97 0.45 0.16 0.00 0.00 175.35 177.13 2oqp s SER 58 N 1.39 6.56 0.53 1.43 0.15 -1.25 -1.09 113.70 121.41 2oqp s SER 58 Ca -0.01 1.50 0.32 0.00 0.70 0.00 0.00 55.95 58.45 2oqp s SER 58 Cb -0.14 -2.48 1.72 0.00 -1.71 0.00 0.00 66.02 63.41 2oqp s SER 58 CO -0.05 -0.61 1.96 0.00 1.20 0.00 0.00 173.24 175.75 2oqp h ALA 59 N 0.78 1.08 -5.60 5.45 0.00 -1.61 -3.39 119.26 115.97 2oqp h ALA 59 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 2oqp h ALA 59 Cb 1.19 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.15 2oqp h ALA 59 CO 0.62 -0.08 -0.86 0.09 0.00 0.00 0.00 179.25 179.02 2oqp n ASN 60 N -2.68 -6.43 -1.30 0.00 4.13 -1.26 -4.94 115.26 102.78 2oqp n ASN 60 Ca -0.02 -0.76 -0.01 0.00 1.68 0.00 0.00 54.58 55.47 2oqp n ASN 60 Cb 0.14 -4.85 -0.02 0.00 -1.54 0.00 0.00 39.78 33.51 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2oqp n THR 61 N -3.38 0.02 -3.50 3.41 5.66 -1.26 -5.11 114.28 110.12 2oqp n THR 61 Ca -0.07 -0.56 -0.10 0.00 -3.05 0.00 0.00 64.05 60.27 2oqp n THR 61 Cb 0.61 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 70.14 2oqp n THR 61 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2oqp s GLY 62 N -1.55 -0.47 0.16 1.09 0.00 -1.26 -5.04 107.32 100.25 2oqp s GLY 62 Ca 0.18 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.81 2oqp s GLY 62 CO -0.09 0.43 1.72 -0.57 0.00 0.00 0.00 173.10 174.59 2oqp h ASN 63 N 2.12 -0.04 -1.58 1.64 -0.73 -2.04 0.13 115.58 115.08 2oqp h ASN 63 Ca -0.24 0.06 0.46 0.00 1.87 0.00 0.00 56.30 58.46 2oqp h ASN 63 Cb 1.24 0.10 -0.06 0.00 0.27 0.00 0.00 38.32 39.86 2oqp h ASN 63 CO 0.32 0.02 1.26 -0.55 -0.37 0.00 0.00 177.43 178.11 2oqp h ASN 64 N 0.16 0.00 -1.27 1.15 7.08 -1.99 0.61 115.58 121.32 2oqp h ASN 64 Ca 0.17 0.00 0.37 0.00 -3.08 0.00 0.00 56.30 53.76 2oqp h ASN 64 Cb 0.20 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.39 2oqp h ASN 64 CO -0.24 0.00 1.17 -0.08 -2.08 0.00 0.00 177.43 176.21 2oqp h GLU 65 N 0.00 0.00 0.13 4.14 4.22 -1.11 1.55 114.58 123.50 2oqp h GLU 65 Ca 0.75 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.95 2oqp h GLU 65 Cb 3.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 32.52 2oqp h GLU 65 CO -0.01 0.00 -1.16 -0.09 -2.18 0.00 0.00 179.01 175.57 2oqp h ARG 66 N 0.00 0.27 0.00 1.92 9.65 0.03 -3.04 114.38 123.20 2oqp h ARG 66 Ca 0.60 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2oqp h ARG 66 Cb 2.95 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 31.70 2oqp h ARG 66 CO -0.01 1.22 0.00 1.51 2.80 0.00 0.00 179.97 185.49 2oqp n ILE 67 N -4.02 1.28 -0.10 1.20 0.13 0.50 -2.11 119.36 116.25 2oqp n ILE 67 Ca -0.20 0.32 -0.21 0.00 -1.10 0.00 0.00 62.75 61.56 2oqp n ILE 67 Cb 0.87 -1.17 -0.12 0.00 -0.84 0.00 0.00 39.64 38.38 2oqp n ILE 67 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2oqp h ILE 68 N 0.00 1.05 -0.82 9.51 5.03 -0.76 -3.33 117.51 128.19 2oqp h ILE 68 Ca 0.00 -2.21 0.23 0.00 -0.12 0.00 0.00 64.86 62.76 2oqp h ILE 68 Cb 0.14 2.41 -0.04 0.00 -3.03 0.00 0.00 36.82 36.30 2oqp h ILE 68 CO 0.00 0.37 0.58 -1.13 -0.68 0.00 0.00 178.15 177.29 2oqp h ASN 69 N -0.98 0.05 -0.02 1.72 -1.24 -1.30 1.09 115.58 114.89 2oqp h ASN 69 Ca -0.30 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.65 2oqp h ASN 69 Cb 1.27 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 2oqp h ASN 69 CO -0.17 0.02 -0.16 -0.37 -1.29 0.00 0.00 177.43 175.46 2oqp h VAL 70 N 0.05 1.22 0.04 2.57 -1.51 -1.63 -2.31 116.25 114.68 2oqp h VAL 70 Ca 0.39 -0.97 -0.23 0.00 -1.23 0.00 0.00 66.70 64.67 2oqp h VAL 70 Cb 1.49 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2oqp h VAL 70 CO -0.03 0.31 -1.02 0.28 -1.23 0.00 0.00 177.57 175.88 2oqp h SER 71 N 0.32 0.39 0.02 4.19 0.02 0.11 -3.30 113.55 115.31 2oqp h SER 71 Ca 0.06 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2oqp h SER 71 Cb 0.47 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2oqp h SER 71 CO 0.03 1.19 -0.29 0.40 -1.14 0.00 0.00 176.83 177.01 2oqp h ILE 72 N 0.14 0.35 0.00 3.27 2.04 -0.62 1.83 117.51 124.52 2oqp h ILE 72 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2oqp h ILE 72 Cb 1.68 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2oqp h ILE 72 CO 0.17 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.61 2oqp n LYS 73 N -5.40 0.00 0.30 2.37 5.02 -1.04 0.14 118.16 119.55 2oqp n LYS 73 Ca -0.05 0.90 -0.18 0.00 -2.02 0.00 0.00 58.31 56.96 2oqp n LYS 73 Cb 0.31 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 2oqp n LYS 73 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2oqp h LYS 74 N 0.00 -0.96 -1.19 1.97 1.79 -1.60 -0.75 116.57 115.84 2oqp h LYS 74 Ca 0.00 0.07 0.43 0.00 -2.18 0.00 0.00 60.65 58.97 2oqp h LYS 74 Cb 0.00 0.22 -0.14 0.00 -1.58 0.00 0.00 32.23 30.72 2oqp h LYS 74 CO 0.00 -0.64 0.73 -0.11 -1.08 0.00 0.00 179.45 178.36 2oqp n LEU 75 N -5.56 0.24 -2.68 2.94 7.94 0.62 -0.37 117.00 120.13 2oqp n LEU 75 Ca -0.12 1.39 -0.23 0.00 -1.11 0.00 0.00 56.01 55.94 2oqp n LEU 75 Cb 0.46 -0.68 -0.09 0.00 0.53 0.00 0.00 43.42 43.64 2oqp n LEU 75 CO 0.28 -1.53 2.36 0.29 -1.11 0.00 0.00 177.39 177.68 2oqp n LYS 76 N -4.77 2.59 -1.72 1.96 5.02 0.38 -4.86 118.16 116.77 2oqp n LYS 76 Ca 0.37 -1.48 -0.30 0.00 -2.02 0.00 0.00 58.31 54.88 2oqp n LYS 76 Cb 1.40 -2.34 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 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 1.85 2.58 0.11 1.97 6.06 0.50 -4.97 118.95 127.06 2oqp s ARG 77 Ca 0.62 0.59 0.06 0.00 -2.50 0.00 0.00 55.73 54.50 2oqp s ARG 77 Cb 0.22 -1.98 -0.04 0.00 0.06 0.00 0.00 34.95 33.21 2oqp s ARG 77 CO -0.03 -1.26 -0.06 0.15 -2.50 0.00 0.00 175.30 171.61 2oqp s LYS 78 N -5.24 2.29 0.99 5.12 -0.14 -1.26 -4.81 119.74 116.70 2oqp s LYS 78 Ca 0.59 -0.98 -0.15 0.00 -1.36 0.00 0.00 55.97 54.07 2oqp s LYS 78 Cb -0.13 -2.38 0.19 0.00 -1.68 0.00 0.00 37.83 33.83 2oqp s LYS 78 CO 0.53 0.51 1.18 -1.25 -0.76 0.00 0.00 175.35 175.56 2oqp s PRO 79 N -2.36 0.46 -0.08 -1.68 0.04 -1.26 -4.88 135.00 125.24 2oqp s PRO 79 Ca 0.24 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 2oqp s PRO 79 Cb -0.11 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.45 2oqp s PRO 79 CO 0.16 -2.61 2.83 -0.35 0.04 0.00 0.00 177.00 177.06 2oqp n PRO 80 N -4.00 1.59 0.00 0.56 -0.04 -1.26 -4.75 135.00 127.10 2oqp n PRO 80 Ca 0.10 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 2oqp n PRO 80 Cb 0.59 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2oqp n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oqp n SER 81 N 2.71 0.00 -0.27 3.54 2.88 -1.26 -4.43 113.62 116.79 2oqp n SER 81 Ca 0.34 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2oqp n SER 81 Cb 0.66 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.36 -1.22 2.46 5.66 -1.26 -4.80 114.28 114.76 2oqp n THR 82 Ca 0.00 1.64 0.02 0.00 -3.05 0.00 0.00 64.05 62.66 2oqp n THR 82 Cb 0.00 -2.18 -0.00 0.00 -1.55 0.00 0.00 70.33 66.60 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 -5.04 -2.01 0.00 1.09 6.94 -1.26 -5.01 115.26 109.97 2oqp n ASN 83 Ca 0.07 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2oqp n ASN 83 Cb 0.29 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2oqp n ALA 84 N -0.27 0.00 0.00 -2.53 0.00 -1.26 -4.78 120.51 111.66 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.56 0.70 2.19 0.00 0.00 -1.26 -4.68 105.19 101.57 2oqp n GLY 85 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2oqp n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2oqp n ARG 86 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.03 116.66 114.98 2oqp n ARG 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2oqp n ARG 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -3.33 0.00 -3.81 -0.14 1.74 -1.26 -5.15 116.66 104.70 2oqp n ARG 87 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 2oqp n ARG 87 Cb 0.00 -0.13 0.01 0.00 -1.02 0.00 0.00 32.46 31.32 2oqp n ARG 87 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2oqp s GLN 88 N -0.72 0.64 -0.28 5.56 -2.07 -1.26 -5.13 119.66 116.41 2oqp s GLN 88 Ca 0.00 -0.39 -0.04 0.00 -1.82 0.00 0.00 55.36 53.11 2oqp s GLN 88 Cb 0.00 0.20 0.09 0.00 -1.09 0.00 0.00 33.01 32.21 2oqp s GLN 88 CO 0.00 -0.30 0.12 0.21 -1.32 0.00 0.00 175.29 174.00 2oqp s LYS 89 N -2.32 0.20 0.12 9.60 2.36 -1.26 -4.92 119.74 123.53 2oqp s LYS 89 Ca 0.21 -0.50 -0.31 0.00 -2.55 0.00 0.00 55.97 52.81 2oqp s LYS 89 Cb 0.01 -1.29 -0.11 0.00 -1.05 0.00 0.00 37.83 35.39 2oqp s LYS 89 CO -0.00 -0.97 1.51 1.25 1.55 0.00 0.00 175.35 178.69 2oqp h HIS 90 N 8.39 -1.59 -0.24 4.03 -0.00 -2.00 -2.14 115.15 121.60 2oqp h HIS 90 Ca -0.19 0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.27 2oqp h HIS 90 Cb 1.03 0.74 -0.03 0.00 -0.00 0.00 0.00 27.41 29.14 2oqp h HIS 90 CO 0.28 -0.47 -0.14 0.54 -0.00 0.00 0.00 177.93 178.13 2oqp n ARG 91 N -5.22 -0.11 -3.72 5.26 1.74 -1.26 -4.27 116.66 109.09 2oqp n ARG 91 Ca -0.04 0.71 -0.16 0.00 -0.77 0.00 0.00 57.85 57.58 2oqp n ARG 91 Cb 0.33 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.56 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 -6.96 0.49 0.00 0.55 1.02 -0.82 -5.07 118.68 107.89 2oqp s LEU 92 Ca -0.03 0.17 -0.00 0.00 0.02 0.00 0.00 54.13 54.29 2oqp s LEU 92 Cb 0.03 0.08 -0.00 0.00 0.02 0.00 0.00 46.19 46.32 2oqp s LEU 92 CO 0.15 -0.19 1.00 0.74 0.02 0.00 0.00 176.35 178.07 2oqp h THR 93 N 6.30 0.00 -3.05 5.49 2.02 -1.71 -3.39 112.91 118.57 2oqp h THR 93 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2oqp h THR 93 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2oqp h THR 93 CO 0.31 0.00 -0.74 0.00 0.37 0.00 0.00 175.52 175.45 2oqp s PRO 95 N -4.01 3.73 0.23 0.00 0.04 -1.26 -5.00 135.00 128.73 2oqp s PRO 95 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2oqp s PRO 95 Cb 0.00 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2oqp s PRO 95 CO 0.00 -0.48 0.28 0.43 0.04 0.00 0.00 177.00 177.27 2oqp n SER 96 N -1.14 1.00 -4.38 6.66 7.64 -1.26 -4.93 113.62 117.21 2oqp n SER 96 Ca 0.09 -1.63 -0.45 0.00 1.01 0.00 0.00 58.87 57.89 2oqp n SER 96 Cb 0.53 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ASP 98 N 4.10 -0.60 0.29 0.00 2.03 -1.26 -4.88 116.55 116.23 2oqp n ASP 98 Ca 0.24 0.29 -0.17 0.00 0.52 0.00 0.00 54.79 55.68 2oqp n ASP 98 Cb 0.43 0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 41.46 2oqp n ASP 98 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2oqp h SER 99 N 0.00 -0.73 -1.00 1.67 0.87 -2.01 -2.39 113.55 109.96 2oqp h SER 99 Ca 0.00 0.04 0.38 0.00 -1.23 0.00 0.00 61.79 60.98 2oqp h SER 99 Cb 0.00 0.21 -0.18 0.00 -0.44 0.00 0.00 62.40 61.99 2oqp h SER 99 CO 0.00 -0.48 0.45 1.88 -0.53 0.00 0.00 176.83 178.15 2oqp h TYR 100 N -0.76 0.68 -4.73 2.24 0.05 -1.90 -3.45 116.97 109.09 2oqp h TYR 100 Ca -0.06 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2oqp h TYR 100 Cb 0.61 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2oqp h TYR 100 CO -0.08 -0.44 -0.27 -1.91 -1.05 0.00 0.00 178.16 174.41 2oqp n GLU 101 N -5.28 -1.56 0.00 4.88 2.13 -0.90 -4.81 120.64 115.10 2oqp n GLU 101 Ca 0.35 1.59 0.00 0.00 0.66 0.00 0.00 57.16 59.75 2oqp n GLU 101 Cb 1.16 -4.66 0.00 0.00 0.27 0.00 0.00 31.44 28.21 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2oqp n LYS 102 N -0.70 0.00 0.00 5.31 4.01 -1.26 -5.00 118.16 120.52 2oqp n LYS 102 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2oqp n LYS 102 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 2oqp n LYS 102 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2oqp n LYS 103 N -0.12 -0.84 -1.52 1.97 5.02 -0.49 -4.59 118.16 117.59 2oqp n LYS 103 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2oqp n LYS 103 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.19 2oqp n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2oqp s PRO 104 N -2.00 0.31 -0.07 1.97 0.04 -1.26 -3.24 135.00 130.75 2oqp s PRO 104 Ca 0.00 -0.02 -0.19 0.00 0.04 0.00 0.00 61.00 60.83 2oqp s PRO 104 Cb 0.00 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 2oqp s PRO 104 CO 0.00 -2.70 0.72 -1.00 0.04 0.00 0.00 177.00 174.07 2oqp h PRO 105 N -1.85 -0.16 -0.99 0.56 0.13 -1.87 -0.62 132.00 127.20 2oqp h PRO 105 Ca -0.47 0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.04 2oqp h PRO 105 Cb 1.29 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 2oqp h PRO 105 CO 0.47 0.29 0.40 1.57 -0.23 0.00 0.00 178.00 180.50 2oqp h LYS 106 N -0.91 0.04 0.14 0.86 2.10 -1.97 0.62 116.57 117.44 2oqp h LYS 106 Ca -0.02 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2oqp h LYS 106 Cb 0.52 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2oqp h LYS 106 CO 0.03 0.03 -0.07 0.93 -2.00 0.00 0.00 179.45 178.37 2oqp h GLU 107 N 0.04 -0.18 -1.29 0.07 5.08 -1.96 -0.69 114.58 115.66 2oqp h GLU 107 Ca 0.76 0.01 0.40 0.00 -1.00 0.00 0.00 59.36 59.53 2oqp h GLU 107 Cb 1.89 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 31.07 2oqp h GLU 107 CO -0.79 0.11 0.85 0.35 -1.00 0.00 0.00 179.01 178.53 2oqp h PHE 108 N -1.00 0.46 0.13 4.33 3.57 0.83 0.72 116.94 125.98 2oqp h PHE 108 Ca -0.02 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2oqp h PHE 108 Cb 0.37 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.00 2oqp h PHE 108 CO 0.06 -0.11 -0.98 -0.07 -2.23 0.00 0.00 178.31 174.98 2oqp h LEU 109 N 0.14 0.43 -2.17 0.59 -0.00 0.04 -1.56 115.31 112.78 2oqp h LEU 109 Ca 0.75 -0.92 0.06 0.00 -0.00 0.00 0.00 57.88 57.77 2oqp h LEU 109 Cb 2.38 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 42.90 2oqp h LEU 109 CO -0.32 1.45 0.19 -0.33 -0.00 0.00 0.00 178.44 179.43 2oqp h GLU 110 N -0.37 0.00 0.04 1.13 5.08 0.18 -0.81 114.58 119.82 2oqp h GLU 110 Ca -0.19 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.95 2oqp h GLU 110 Cb 1.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 2oqp h GLU 110 CO 0.12 0.00 -1.17 0.00 -1.00 0.00 0.00 179.01 176.96 2oqp h ARG 111 N 0.00 0.09 0.09 2.33 -0.00 -0.06 -3.26 114.38 113.56 2oqp h ARG 111 Ca 0.09 -0.15 0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2oqp h ARG 111 Cb 0.47 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.46 2oqp h ARG 111 CO -0.00 1.07 -0.36 0.35 0.00 0.00 0.00 179.97 181.03 2oqp h PHE 112 N -0.72 -1.04 -0.76 3.04 3.04 -0.59 1.18 116.94 121.10 2oqp h PHE 112 Ca -0.29 0.03 0.17 0.00 3.98 0.00 0.00 57.97 61.86 2oqp h PHE 112 Cb 1.45 0.44 -0.13 0.00 2.56 0.00 0.00 35.95 40.27 2oqp h PHE 112 CO 0.13 -0.41 0.07 -0.22 -2.02 0.00 0.00 178.31 175.87 2oqp h LYS 113 N -0.51 0.15 0.71 1.11 3.11 -1.38 -0.67 116.57 119.09 2oqp h LYS 113 Ca -0.01 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 2oqp h LYS 113 Cb 0.52 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2oqp h LYS 113 CO -0.19 0.10 -0.34 0.77 -2.81 0.00 0.00 179.45 176.98 2oqp h SER 114 N 0.15 -0.81 -1.24 4.20 0.02 -1.36 -1.11 113.55 113.40 2oqp h SER 114 Ca 0.43 0.03 0.43 0.00 -0.84 0.00 0.00 61.79 61.83 2oqp h SER 114 Cb 0.76 0.21 -0.12 0.00 0.14 0.00 0.00 62.40 63.39 2oqp h SER 114 CO -0.62 -0.57 0.80 -0.11 -1.14 0.00 0.00 176.83 175.20 2oqp n LEU 115 N -4.66 0.18 0.17 5.07 0.00 0.40 0.28 117.00 118.43 2oqp n LEU 115 Ca -0.12 1.21 -0.07 0.00 0.00 0.00 0.00 56.01 57.03 2oqp n LEU 115 Cb 0.38 -0.60 -0.04 0.00 0.00 0.00 0.00 43.42 43.17 2oqp n LEU 115 CO 0.29 -1.32 0.26 -0.07 0.00 0.00 0.00 177.39 176.55 2oqp h LEU 116 N 0.00 -0.41 0.00 -1.96 3.38 -0.60 -0.87 115.31 114.85 2oqp h LEU 116 Ca 0.78 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.76 2oqp h LEU 116 Cb 2.54 0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.40 2oqp h LEU 116 CO -0.40 -0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.02 2oqp n GLN 117 N -4.30 0.19 0.00 1.13 10.64 0.22 0.52 117.38 125.79 2oqp n GLN 117 Ca -0.06 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2oqp n GLN 117 Cb 0.19 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2oqp n LYS 118 N -1.21 0.00 -0.03 2.61 4.81 0.79 -4.48 118.16 120.65 2oqp n LYS 118 Ca 0.05 0.20 -0.01 0.00 -0.87 0.00 0.00 58.31 57.68 2oqp n LYS 118 Cb 0.07 -0.64 -0.00 0.00 0.02 0.00 0.00 35.03 34.47 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 -0.73 1.64 4.05 -1.15 -3.34 114.93 115.41 2oqp h MET 119 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2oqp h MET 119 Cb 0.00 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.70 2oqp h MET 119 CO 0.00 0.00 -0.36 -0.89 0.23 0.00 0.00 176.91 175.89 2oqp n ILE 120 N -3.18 -0.44 -0.32 1.77 -0.00 -0.66 0.21 119.36 116.75 2oqp n ILE 120 Ca -0.02 1.73 0.00 0.00 -0.00 0.00 0.00 62.75 64.46 2oqp n ILE 120 Cb 0.08 -2.21 0.07 0.00 -0.00 0.00 0.00 39.64 37.58 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 -0.80 -0.85 1.39 2.76 -0.13 0.74 115.15 118.27 2oqp h HIS 121 Ca 0.19 0.09 0.29 0.00 -2.20 0.00 0.00 60.37 58.73 2oqp h HIS 121 Cb 0.37 0.48 -0.16 0.00 1.55 0.00 0.00 27.41 29.65 2oqp h HIS 121 CO -0.69 -0.39 0.21 1.04 -1.30 0.00 0.00 177.93 176.80 2oqp n GLN 122 N -5.51 -0.06 -0.39 5.26 1.13 0.58 0.80 117.38 119.19 2oqp n GLN 122 Ca 0.10 1.22 -0.05 0.00 -1.94 0.00 0.00 57.00 56.34 2oqp n GLN 122 Cb 0.41 -2.05 -0.02 0.00 0.11 0.00 0.00 30.24 28.70 2oqp n GLN 122 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2oqp h HIS 123 N 0.00 -1.41 -0.33 1.08 2.76 0.56 1.10 115.15 118.92 2oqp h HIS 123 Ca 0.61 0.11 0.07 0.00 -2.20 0.00 0.00 60.37 58.96 2oqp h HIS 123 Cb 1.44 0.75 -0.08 0.00 1.55 0.00 0.00 27.41 31.07 2oqp h HIS 123 CO -0.24 -0.39 -0.21 -0.07 -1.30 0.00 0.00 177.93 175.72 2oqp h LEU 124 N -0.01 -0.69 0.38 0.26 4.07 0.27 -2.73 115.31 116.86 2oqp h LEU 124 Ca 0.27 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.36 2oqp h LEU 124 Cb 0.52 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.61 2oqp h LEU 124 CO -0.96 -0.24 -0.25 0.28 -1.08 0.00 0.00 178.44 176.19 2oqp h SER 125 N -0.17 -0.63 -3.08 -0.43 0.02 0.26 -3.37 113.55 106.16 2oqp h SER 125 Ca 0.17 0.04 -0.73 0.00 -0.84 0.00 0.00 61.79 60.43 2oqp h SER 125 Cb 0.43 0.19 -0.22 0.00 0.14 0.00 0.00 62.40 62.94 2oqp h SER 125 CO -0.43 -0.37 -0.09 -0.44 -1.14 0.00 0.00 176.83 174.36 2oqp s SER 126 N -3.14 6.18 0.00 3.07 0.01 0.32 -4.82 113.70 115.33 2oqp s SER 126 Ca -0.09 -1.48 0.09 0.00 1.31 0.00 0.00 55.95 55.78 2oqp s SER 126 Cb 0.02 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 64.10 2oqp s SER 126 CO 0.30 -0.92 0.87 -1.14 0.41 0.00 0.00 173.24 172.76 2oqp n ARG 127 N 5.74 0.74 -1.06 12.44 0.63 -1.11 -4.32 116.66 129.73 2oqp n ARG 127 Ca -0.11 -1.21 -0.25 0.00 -0.92 0.00 0.00 57.85 55.36 2oqp n ARG 127 Cb 0.42 -1.19 -0.08 0.00 0.45 0.00 0.00 32.46 32.06 2oqp n ARG 127 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2oqp n THR 128 N 0.49 3.38 0.00 5.15 -2.24 -1.26 -4.28 114.28 115.52 2oqp n THR 128 Ca 0.06 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 2oqp n THR 128 Cb 0.26 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 2oqp n THR 128 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2oqp n HIS 129 N 3.21 0.00 0.00 4.78 8.25 -1.26 -5.11 115.22 125.09 2oqp n HIS 129 Ca 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2oqp n HIS 129 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oqp n GLY 130 N 2.93 -0.52 2.03 -1.41 0.00 -1.26 -5.11 105.19 101.85 2oqp n GLY 130 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -8.36 -4.29 1.61 3.41 -1.26 -4.97 113.62 99.76 2oqp n SER 131 Ca 0.00 1.43 -0.35 0.00 -0.26 0.00 0.00 58.87 59.68 2oqp n SER 131 Cb 0.00 -4.61 -0.14 0.00 -0.26 0.00 0.00 64.21 59.20 2oqp n SER 131 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2oqp s GLU 132 N -0.87 3.19 -0.36 4.33 2.02 -1.26 -5.07 118.70 120.68 2oqp s GLU 132 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 2oqp s GLU 132 Cb 0.00 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.18 2oqp s GLU 132 CO 0.00 -0.29 1.11 -0.51 0.02 0.00 0.00 175.26 175.59 2oqp s ASP 133 N 1.44 6.83 0.00 -0.19 1.11 -1.26 -5.23 116.67 119.37 2oqp s ASP 133 Ca 0.04 0.90 0.24 0.00 0.18 0.00 0.00 52.55 53.91 2oqp s ASP 133 Cb -0.15 -2.55 0.22 0.00 1.07 0.00 0.00 42.92 41.51 2oqp s ASP 133 CO -0.03 -1.00 1.28 -0.24 1.18 0.00 0.00 175.17 176.36