#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 0.41 1.09 2.12 -0.44 -1.26 -5.13 119.66 116.45 2oqp s GLN 2 Ca 0.00 0.64 0.00 0.00 -2.50 0.00 0.00 55.36 53.50 2oqp s GLN 2 Cb 0.00 0.35 0.00 0.00 -1.64 0.00 0.00 33.01 31.72 2oqp s GLN 2 CO 0.00 -0.52 0.00 0.41 0.50 0.00 0.00 175.29 175.68 2oqp n GLY 3 N 5.41 1.50 2.04 2.59 0.00 -1.26 -4.94 105.19 110.53 2oqp n GLY 3 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2oqp n GLY 3 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2oqp n GLN 4 N 12.89 -1.06 -2.12 1.61 7.27 -1.26 -4.81 117.38 129.89 2oqp n GLN 4 Ca 0.00 1.22 -0.02 0.00 0.07 0.00 0.00 57.00 58.27 2oqp n GLN 4 Cb 0.00 -3.14 -0.01 0.00 2.41 0.00 0.00 30.24 29.50 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 -0.29 -3.22 -0.24 1.69 9.92 -1.26 -4.62 116.55 118.52 2oqp n ASP 5 Ca 0.04 0.75 0.04 0.00 -0.53 0.00 0.00 54.79 55.08 2oqp n ASP 5 Cb 0.15 -3.31 0.16 0.00 -0.64 0.00 0.00 41.12 37.49 2oqp n ASP 5 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2oqp h ARG 6 N 1.90 0.41 0.03 -1.24 2.43 -2.01 -1.37 114.38 114.53 2oqp h ARG 6 Ca -0.15 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2oqp h ARG 6 Cb 0.34 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2oqp h ARG 6 CO 0.03 0.27 -0.29 0.45 -1.51 0.00 0.00 179.97 178.92 2oqp h HIS 7 N 0.42 -0.78 -0.94 2.20 3.86 -1.99 -2.27 115.15 115.65 2oqp h HIS 7 Ca 0.38 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.77 2oqp h HIS 7 Cb 0.55 0.34 -0.16 0.00 1.06 0.00 0.00 27.41 29.20 2oqp h HIS 7 CO -0.17 -0.38 -0.37 1.98 0.86 0.00 0.00 177.93 179.84 2oqp h MET 8 N -0.45 -0.02 -0.75 2.45 1.85 -1.53 0.42 114.93 116.90 2oqp h MET 8 Ca 0.06 0.00 0.13 0.00 -0.61 0.00 0.00 59.70 59.27 2oqp h MET 8 Cb 0.52 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 32.42 2oqp h MET 8 CO -0.23 -0.01 -0.34 0.82 -0.40 0.00 0.00 176.91 176.75 2oqp h ILE 9 N -0.02 0.11 -0.92 1.77 2.04 -1.16 0.30 117.51 119.64 2oqp h ILE 9 Ca 0.34 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.29 2oqp h ILE 9 Cb 0.60 0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 2oqp h ILE 9 CO -0.95 0.00 -0.56 -0.09 0.00 0.00 0.00 178.15 176.55 2oqp h ARG 10 N -0.09 -0.02 -0.11 2.37 2.43 -0.05 0.83 114.38 119.74 2oqp h ARG 10 Ca 0.29 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 2oqp h ARG 10 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2oqp h ARG 10 CO -0.80 -0.01 -0.26 0.52 -1.51 0.00 0.00 179.97 177.90 2oqp h MET 11 N -0.02 -0.23 -0.63 0.20 2.86 -0.83 -0.22 114.93 116.06 2oqp h MET 11 Ca 0.15 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.93 2oqp h MET 11 Cb 0.40 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.00 2oqp h MET 11 CO -0.87 -0.16 -0.11 0.00 1.06 0.00 0.00 176.91 176.83 2oqp h ARG 12 N -0.24 0.03 -0.70 1.72 3.08 -0.72 0.14 114.38 117.69 2oqp h ARG 12 Ca 0.02 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.22 2oqp h ARG 12 Cb 0.31 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 2oqp h ARG 12 CO -0.24 0.02 -0.04 1.96 -1.07 0.00 0.00 179.97 180.60 2oqp h GLN 13 N 0.03 0.08 0.91 0.04 4.20 0.16 1.38 115.11 121.90 2oqp h GLN 13 Ca 0.31 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 2oqp h GLN 13 Cb 0.49 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.26 2oqp h GLN 13 CO -0.62 0.05 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.08 2oqp h LEU 14 N 0.08 -1.03 -0.75 1.46 3.38 0.96 0.90 115.31 120.30 2oqp h LEU 14 Ca 0.36 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.52 2oqp h LEU 14 Cb 0.61 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2oqp h LEU 14 CO -0.64 -0.74 0.28 0.40 0.09 0.00 0.00 178.44 177.83 2oqp h ILE 15 N -1.23 0.63 0.54 1.22 5.03 -0.00 0.20 117.51 123.90 2oqp h ILE 15 Ca -0.12 -0.14 -0.03 0.00 -0.12 0.00 0.00 64.86 64.45 2oqp h ILE 15 Cb 0.94 0.19 0.01 0.00 -3.03 0.00 0.00 36.82 34.92 2oqp h ILE 15 CO 0.21 0.07 -0.26 -0.78 -0.68 0.00 0.00 178.15 176.71 2oqp h ASP 16 N 0.41 -0.61 -0.90 1.72 3.58 0.21 -1.45 116.42 119.38 2oqp h ASP 16 Ca 0.42 -0.02 0.23 0.00 0.42 0.00 0.00 57.03 58.08 2oqp h ASP 16 Cb 0.65 0.16 -0.13 0.00 1.72 0.00 0.00 39.33 41.73 2oqp h ASP 16 CO -0.42 -0.37 0.36 0.40 -2.88 0.00 0.00 179.24 176.32 2oqp h ILE 17 N -0.82 0.41 0.18 2.25 2.04 0.20 0.46 117.51 122.23 2oqp h ILE 17 Ca -0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2oqp h ILE 17 Cb 0.59 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2oqp h ILE 17 CO 0.12 0.06 -0.11 0.58 0.00 0.00 0.00 178.15 178.80 2oqp h VAL 18 N 0.33 0.00 -1.14 1.67 2.07 -0.26 -0.80 116.25 118.12 2oqp h VAL 18 Ca 0.57 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.43 2oqp h VAL 18 Cb 1.13 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 2oqp h VAL 18 CO -0.57 0.00 0.72 0.44 0.02 0.00 0.00 177.57 178.18 2oqp h ASP 19 N -0.27 0.38 -0.08 0.57 5.19 -0.24 0.65 116.42 122.63 2oqp h ASP 19 Ca -0.02 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 2oqp h ASP 19 Cb 0.22 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 2oqp h ASP 19 CO 0.02 -0.04 -0.06 -0.61 -3.12 0.00 0.00 179.24 175.43 2oqp h GLN 20 N 0.27 -0.07 -0.21 3.56 5.75 0.47 1.18 115.11 126.07 2oqp h GLN 20 Ca 0.70 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 59.06 2oqp h GLN 20 Cb 1.92 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.48 2oqp h GLN 20 CO -0.38 -0.05 -0.47 1.37 -2.65 0.00 0.00 178.83 176.65 2oqp h LEU 21 N -0.07 0.58 -1.13 -2.39 8.10 0.15 -2.69 115.31 117.85 2oqp h LEU 21 Ca 0.06 -0.28 -0.08 0.00 0.11 0.00 0.00 57.88 57.69 2oqp h LEU 21 Cb 0.15 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.19 2oqp h LEU 21 CO -0.13 0.96 -0.21 0.11 -4.11 0.00 0.00 178.44 175.06 2oqp h LYS 22 N 0.43 0.35 0.00 0.17 1.79 0.51 -0.24 116.57 119.58 2oqp h LYS 22 Ca 0.03 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2oqp h LYS 22 Cb 0.98 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2oqp h LYS 22 CO 0.09 0.55 0.00 0.09 -1.08 0.00 0.00 179.45 179.10 2oqp n ASN 23 N -4.17 0.00 -0.03 0.86 4.13 0.40 -1.58 115.26 114.86 2oqp n ASN 23 Ca -0.00 -0.22 0.04 0.00 1.68 0.00 0.00 54.58 56.07 2oqp n ASN 23 Cb 0.35 -0.16 0.05 0.00 -1.54 0.00 0.00 39.78 38.48 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2oqp n TYR 24 N -1.16 0.00 -0.67 3.10 4.01 -0.13 -4.73 117.16 117.58 2oqp n TYR 24 Ca 0.11 -0.68 0.51 0.00 -0.16 0.00 0.00 57.90 57.68 2oqp n TYR 24 Cb 0.11 -0.09 0.81 0.00 -0.31 0.00 0.00 39.34 39.86 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2oqp h VAL 25 N 0.17 0.04 -0.70 -0.72 -1.51 -0.96 1.65 116.25 114.21 2oqp h VAL 25 Ca 0.00 -0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.67 2oqp h VAL 25 Cb 0.72 0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.89 2oqp h VAL 25 CO 0.00 0.00 0.82 -1.13 -1.23 0.00 0.00 177.57 176.03 2oqp h ASN 26 N 0.00 0.00 -1.74 4.19 -0.73 -1.85 0.61 115.58 116.07 2oqp h ASN 26 Ca 0.91 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 58.50 2oqp h ASN 26 Cb 3.62 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 41.79 2oqp h ASN 26 CO -0.04 0.00 -0.73 0.47 -0.37 0.00 0.00 177.43 176.76 2oqp n ASP 27 N -3.44 4.42 -4.23 1.15 9.92 0.56 -4.95 116.55 119.98 2oqp n ASP 27 Ca 0.15 -3.65 -0.30 0.00 -0.53 0.00 0.00 54.79 50.46 2oqp n ASP 27 Cb 1.06 -0.50 -0.16 0.00 -0.64 0.00 0.00 41.12 40.88 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 -3.48 2.03 -0.25 0.64 1.43 0.21 -2.97 118.68 116.29 2oqp s LEU 28 Ca 0.47 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 2oqp s LEU 28 Cb 0.37 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2oqp s LEU 28 CO -0.16 0.22 0.34 0.54 0.23 0.00 0.00 176.35 177.51 2oqp s VAL 29 N -0.09 5.22 -0.55 -1.59 0.11 -0.50 -4.24 120.40 118.76 2oqp s VAL 29 Ca -0.04 0.52 -0.28 0.00 -2.93 0.00 0.00 61.98 59.25 2oqp s VAL 29 Cb -0.13 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2oqp s VAL 29 CO 0.03 0.22 1.49 -2.16 -3.33 0.00 0.00 175.10 171.35 2oqp s PRO 30 N 1.69 3.24 0.20 1.54 0.04 -1.26 -4.66 135.00 135.79 2oqp s PRO 30 Ca 0.14 0.54 0.06 0.00 0.04 0.00 0.00 61.00 61.79 2oqp s PRO 30 Cb -0.15 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2oqp s PRO 30 CO 0.09 -2.01 -0.09 -1.21 0.04 0.00 0.00 177.00 173.81 2oqp s GLU 31 N 5.68 1.27 -0.72 4.56 0.41 -1.26 -5.03 118.70 123.60 2oqp s GLU 31 Ca 0.56 -1.59 -0.26 0.00 -0.41 0.00 0.00 54.97 53.28 2oqp s GLU 31 Cb -0.12 -0.87 -0.06 0.00 -1.78 0.00 0.00 34.13 31.30 2oqp s GLU 31 CO 0.25 0.08 2.09 -0.06 -0.49 0.00 0.00 175.26 177.13 2oqp s PHE 32 N -3.18 1.50 -0.12 1.61 0.08 -1.26 -4.54 117.98 112.08 2oqp s PHE 32 Ca 0.23 1.11 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 2oqp s PHE 32 Cb 0.02 -3.86 -0.03 0.00 -0.57 0.00 0.00 43.02 38.59 2oqp s PHE 32 CO 0.06 -2.01 -0.05 -0.51 -0.10 0.00 0.00 175.22 172.61 2oqp s LEU 33 N 11.11 3.25 -1.23 -0.37 1.02 -1.07 -4.91 118.68 126.47 2oqp s LEU 33 Ca 0.78 -0.06 -0.20 0.00 0.02 0.00 0.00 54.13 54.67 2oqp s LEU 33 Cb -0.11 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 2oqp s LEU 33 CO 0.12 0.26 1.86 -0.81 0.02 0.00 0.00 176.35 177.81 2oqp n PRO 34 N 2.90 2.38 -2.95 1.29 -0.04 -1.26 -0.62 135.00 136.70 2oqp n PRO 34 Ca -0.18 -2.80 -0.42 0.00 -0.04 0.00 0.00 63.50 60.06 2oqp n PRO 34 Cb 0.53 -3.55 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 2oqp n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oqp s ALA 35 N 7.18 3.48 0.05 0.55 0.00 -1.11 -4.62 121.76 127.29 2oqp s ALA 35 Ca 0.60 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2oqp s ALA 35 Cb 0.03 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2oqp s ALA 35 CO 0.10 -1.35 1.17 -1.25 0.00 0.00 0.00 175.76 174.42 2oqp s PRO 36 N 3.03 4.45 -0.37 0.00 0.04 -1.26 -4.57 135.00 136.32 2oqp s PRO 36 Ca 0.32 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2oqp s PRO 36 Cb -0.14 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2oqp s PRO 36 CO 0.15 -0.23 0.22 -2.00 0.04 0.00 0.00 177.00 175.18 2oqp s GLU 37 N 1.09 3.00 -0.10 4.56 2.12 -1.26 -4.79 118.70 123.31 2oqp s GLU 37 Ca 0.58 -0.97 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 2oqp s GLU 37 Cb -0.28 -3.77 0.03 0.00 0.26 0.00 0.00 34.13 30.37 2oqp s GLU 37 CO 0.29 -0.64 0.15 -0.25 -0.54 0.00 0.00 175.26 174.26 2oqp n ASP 38 N 5.04 -3.42 -4.64 -1.70 8.00 -1.26 -5.00 116.55 113.57 2oqp n ASP 38 Ca -0.12 1.41 -0.32 0.00 0.71 0.00 0.00 54.79 56.47 2oqp n ASP 38 Cb 0.47 -4.57 -0.09 0.00 -0.02 0.00 0.00 41.12 36.90 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oqp s VAL 39 N -0.53 3.89 1.04 2.53 -7.23 -1.26 -5.09 120.40 113.75 2oqp s VAL 39 Ca -0.17 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2oqp s VAL 39 Cb 0.01 -2.73 0.14 0.00 0.56 0.00 0.00 36.38 34.36 2oqp s VAL 39 CO 0.46 0.36 0.61 1.21 -0.31 0.00 0.00 175.10 177.43 2oqp n GLU 40 N 1.39 -1.14 -0.28 4.82 2.13 -1.26 -4.54 120.64 121.75 2oqp n GLU 40 Ca -0.15 -0.29 0.12 0.00 0.66 0.00 0.00 57.16 57.50 2oqp n GLU 40 Cb 0.53 -2.00 0.37 0.00 0.27 0.00 0.00 31.44 30.60 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 -2.02 0.83 -0.75 6.31 2.02 -1.95 0.15 112.91 117.50 2oqp h THR 41 Ca -0.50 -0.25 -0.48 0.00 0.77 0.00 0.00 66.41 65.95 2oqp h THR 41 Cb 1.31 0.05 -0.28 0.00 -1.74 0.00 0.00 68.15 67.50 2oqp h THR 41 CO 0.40 0.13 0.15 0.59 0.37 0.00 0.00 175.52 177.16 2oqp n ASN 42 N -4.58 4.94 0.00 4.18 3.02 -1.26 -4.36 115.26 117.20 2oqp n ASN 42 Ca 0.18 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.97 2oqp n ASN 42 Cb 0.47 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -2.48 -0.01 0.03 0.00 1.02 -0.93 0.12 120.64 118.38 2oqp n GLU 44 Ca 0.00 0.92 -0.02 0.00 -0.02 0.00 0.00 57.16 58.04 2oqp n GLU 44 Cb 0.49 -2.00 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 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 -0.14 -0.36 -0.32 4.06 -1.87 -0.13 115.95 117.19 2oqp h TRP 45 Ca 0.74 -0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.79 2oqp h TRP 45 Cb 2.77 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 30.96 2oqp h TRP 45 CO -0.00 -0.09 0.55 0.66 -3.56 0.00 0.00 178.44 176.00 2oqp h SER 46 N -0.83 0.00 0.55 -3.49 4.64 0.74 1.23 113.55 116.38 2oqp h SER 46 Ca -0.02 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 2oqp h SER 46 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2oqp h SER 46 CO 0.03 0.00 -1.54 0.00 -0.87 0.00 0.00 176.83 174.45 2oqp h ALA 47 N 1.24 0.51 -0.92 5.18 0.00 0.87 -3.36 119.26 122.78 2oqp h ALA 47 Ca 0.17 -1.24 0.21 0.00 0.00 0.00 0.00 54.91 54.05 2oqp h ALA 47 Cb 1.27 0.32 -0.17 0.00 0.00 0.00 0.00 17.79 19.20 2oqp h ALA 47 CO -0.00 1.36 -0.10 0.35 0.00 0.00 0.00 179.25 180.86 2oqp h PHE 48 N 0.03 -0.27 -0.91 0.00 3.04 0.35 1.52 116.94 120.71 2oqp h PHE 48 Ca -0.23 0.07 0.15 0.00 3.98 0.00 0.00 57.97 61.94 2oqp h PHE 48 Cb 1.97 0.26 -0.07 0.00 2.56 0.00 0.00 35.95 40.67 2oqp h PHE 48 CO 0.03 -0.38 0.58 1.03 -2.02 0.00 0.00 178.31 177.55 2oqp h SER 49 N 0.02 0.68 -0.86 0.41 0.87 -1.69 0.47 113.55 113.44 2oqp h SER 49 Ca 0.49 0.04 0.19 0.00 -1.23 0.00 0.00 61.79 61.29 2oqp h SER 49 Cb 0.87 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 2oqp h SER 49 CO -0.89 0.34 0.58 0.00 -0.53 0.00 0.00 176.83 176.32 2oqp h PHE 51 N 0.38 0.00 0.00 0.00 -1.00 0.03 -0.47 116.94 115.87 2oqp h PHE 51 Ca 0.44 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.19 2oqp h PHE 51 Cb 1.13 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 2oqp h PHE 51 CO -0.00 0.22 -0.14 0.37 -1.61 0.00 0.00 178.31 177.14 2oqp h GLN 52 N 0.00 0.00 0.00 1.51 -0.00 0.15 -3.30 115.11 113.48 2oqp h GLN 52 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.25 2oqp h GLN 52 Cb 1.19 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.60 2oqp h GLN 52 CO 0.02 0.14 -2.42 0.36 0.00 0.00 0.00 178.83 176.94 2oqp n LYS 53 N -3.14 0.67 -0.41 1.69 2.85 0.93 -4.48 118.16 116.28 2oqp n LYS 53 Ca 0.03 0.08 -0.08 0.00 -1.05 0.00 0.00 58.31 57.29 2oqp n LYS 53 Cb 0.59 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 2oqp n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2oqp n ALA 54 N -3.00 -0.47 -2.34 0.58 0.00 -0.19 -4.91 120.51 110.18 2oqp n ALA 54 Ca -0.39 0.89 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 2oqp n ALA 54 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 20.28 2oqp n ALA 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2oqp n GLN 55 N -5.31 -2.72 -2.40 0.00 7.27 -1.25 -4.91 117.38 108.07 2oqp n GLN 55 Ca 0.05 2.27 -0.39 0.00 0.07 0.00 0.00 57.00 58.99 2oqp n GLN 55 Cb 0.30 -4.08 -0.03 0.00 2.41 0.00 0.00 30.24 28.84 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 -0.98 4.40 0.04 1.69 1.98 -1.26 -5.04 118.68 119.50 2oqp s LEU 56 Ca -0.05 2.31 0.02 0.00 -2.89 0.00 0.00 54.13 53.52 2oqp s LEU 56 Cb 0.00 -3.79 -0.02 0.00 0.66 0.00 0.00 46.19 43.04 2oqp s LEU 56 CO 0.56 -0.36 -0.07 -0.75 -1.89 0.00 0.00 176.35 173.85 2oqp s LYS 57 N -1.82 0.49 0.27 1.98 2.47 -1.26 -5.01 119.74 116.86 2oqp s LYS 57 Ca 0.50 -0.73 0.03 0.00 -1.56 0.00 0.00 55.97 54.20 2oqp s LYS 57 Cb -0.31 -0.22 -0.03 0.00 -1.46 0.00 0.00 37.83 35.80 2oqp s LYS 57 CO 0.40 0.03 0.42 -1.54 0.16 0.00 0.00 175.35 174.83 2oqp s SER 58 N -1.56 6.32 0.57 1.43 1.04 -1.26 -1.42 113.70 118.82 2oqp s SER 58 Ca -0.11 0.23 0.31 0.00 0.48 0.00 0.00 55.95 56.85 2oqp s SER 58 Cb -0.10 -1.93 1.67 0.00 0.10 0.00 0.00 66.02 65.76 2oqp s SER 58 CO 0.00 -0.14 1.93 0.00 0.98 0.00 0.00 173.24 176.01 2oqp h ALA 59 N 1.13 1.17 -5.77 5.32 0.00 -1.71 -3.39 119.26 116.01 2oqp h ALA 59 Ca -0.51 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 2oqp h ALA 59 Cb 1.22 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.16 2oqp h ALA 59 CO 0.62 -0.17 -0.74 0.09 0.00 0.00 0.00 179.25 179.05 2oqp n ASN 60 N -2.74 -3.83 -0.74 0.00 5.03 -1.26 -4.89 115.26 106.83 2oqp n ASN 60 Ca -0.02 -0.60 0.01 0.00 0.87 0.00 0.00 54.58 54.84 2oqp n ASN 60 Cb 0.23 -5.00 0.01 0.00 -1.02 0.00 0.00 39.78 34.01 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2oqp n THR 61 N -4.51 0.05 -4.10 3.41 5.66 -1.26 -5.10 114.28 108.44 2oqp n THR 61 Ca -0.16 -0.32 -0.14 0.00 -3.05 0.00 0.00 64.05 60.38 2oqp n THR 61 Cb 0.62 0.60 -0.05 0.00 -1.55 0.00 0.00 70.33 69.95 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 -1.30 1.40 0.13 1.09 0.00 -1.26 -5.05 107.32 102.33 2oqp s GLY 62 Ca 0.09 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.38 2oqp s GLY 62 CO -0.04 -1.01 1.30 -0.57 0.00 0.00 0.00 173.10 172.78 2oqp h ASN 63 N 2.18 0.14 0.00 1.64 -0.73 -2.02 -3.01 115.58 113.79 2oqp h ASN 63 Ca -0.28 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.75 2oqp h ASN 63 Cb 1.24 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.79 2oqp h ASN 63 CO 0.39 1.04 0.07 0.78 -0.37 0.00 0.00 177.43 179.34 2oqp h ASN 64 N 0.04 0.00 -1.58 1.15 2.35 -1.98 -2.44 115.58 113.13 2oqp h ASN 64 Ca -0.04 0.00 0.50 0.00 -0.55 0.00 0.00 56.30 56.21 2oqp h ASN 64 Cb 1.69 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.94 2oqp h ASN 64 CO 0.14 0.00 1.07 -0.08 -1.65 0.00 0.00 177.43 176.91 2oqp h GLU 65 N 0.00 0.02 0.00 0.81 4.22 -1.88 0.76 114.58 118.51 2oqp h GLU 65 Ca 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 2oqp h GLU 65 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2oqp h GLU 65 CO 0.00 0.01 -0.22 0.00 -2.18 0.00 0.00 179.01 176.62 2oqp h ARG 66 N 0.02 0.00 0.00 1.92 3.08 -1.71 -2.84 114.38 114.85 2oqp h ARG 66 Ca 0.89 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.94 2oqp h ARG 66 Cb 3.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.16 2oqp h ARG 66 CO -0.30 0.75 0.09 1.51 -1.07 0.00 0.00 179.97 180.95 2oqp n ILE 67 N -4.62 1.33 -0.10 2.04 0.13 0.16 0.26 119.36 118.56 2oqp n ILE 67 Ca -0.11 0.61 -0.20 0.00 -1.10 0.00 0.00 62.75 61.95 2oqp n ILE 67 Cb 0.40 -1.61 -0.11 0.00 -0.84 0.00 0.00 39.64 37.48 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 1.03 -0.34 9.51 5.03 0.22 -3.36 117.51 129.61 2oqp h ILE 68 Ca 0.00 -2.17 -0.04 0.00 -0.12 0.00 0.00 64.86 62.53 2oqp h ILE 68 Cb 0.18 2.34 -0.01 0.00 -3.03 0.00 0.00 36.82 36.30 2oqp h ILE 68 CO 0.00 0.35 0.04 -1.13 -0.68 0.00 0.00 178.15 176.73 2oqp h ASN 69 N -1.00 0.54 -0.94 1.72 -1.24 -0.76 -2.50 115.58 111.40 2oqp h ASN 69 Ca -0.28 -0.27 0.31 0.00 0.71 0.00 0.00 56.30 56.76 2oqp h ASN 69 Cb 1.23 -0.15 -0.17 0.00 0.73 0.00 0.00 38.32 39.96 2oqp h ASN 69 CO -0.17 0.68 0.19 1.33 -1.29 0.00 0.00 177.43 178.17 2oqp n VAL 70 N -4.58 -0.40 -0.04 2.57 0.24 0.14 0.17 118.33 116.44 2oqp n VAL 70 Ca -0.02 2.02 -0.15 0.00 -2.04 0.00 0.00 64.34 64.16 2oqp n VAL 70 Cb 0.23 -3.06 -0.09 0.00 -1.47 0.00 0.00 33.84 29.46 2oqp n VAL 70 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2oqp h SER 71 N 0.00 0.42 -0.99 -1.34 0.02 -1.63 -3.29 113.55 106.74 2oqp h SER 71 Ca 0.65 -0.61 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2oqp h SER 71 Cb 1.50 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 63.80 2oqp h SER 71 CO -0.83 0.96 -0.57 -0.38 -1.14 0.00 0.00 176.83 174.87 2oqp n ILE 72 N -4.43 -0.66 -0.29 3.27 5.41 0.44 0.21 119.36 123.30 2oqp n ILE 72 Ca -0.08 2.40 0.27 0.00 1.00 0.00 0.00 62.75 66.33 2oqp n ILE 72 Cb 0.48 -2.97 0.49 0.00 -0.71 0.00 0.00 39.64 36.93 2oqp n ILE 72 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2oqp n LYS 73 N -5.25 -0.06 -0.06 0.38 5.02 -0.54 0.17 118.16 117.82 2oqp n LYS 73 Ca 0.03 1.24 -0.02 0.00 -2.02 0.00 0.00 58.31 57.53 2oqp n LYS 73 Cb 0.27 -2.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.07 2oqp n LYS 73 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2oqp h LYS 74 N 0.00 0.00 -1.77 1.97 1.63 0.22 -3.34 116.57 115.28 2oqp h LYS 74 Ca 0.73 0.00 0.53 0.00 -0.85 0.00 0.00 60.65 61.06 2oqp h LYS 74 Cb 1.90 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 33.43 2oqp h LYS 74 CO -0.71 0.00 1.25 -0.11 -3.45 0.00 0.00 179.45 176.43 2oqp n LEU 75 N -4.50 0.05 -2.36 5.20 7.94 0.54 -0.03 117.00 123.83 2oqp n LEU 75 Ca -0.04 1.06 -0.20 0.00 -1.11 0.00 0.00 56.01 55.72 2oqp n LEU 75 Cb 0.14 -0.52 -0.12 0.00 0.53 0.00 0.00 43.42 43.44 2oqp n LEU 75 CO 0.06 -1.08 1.99 0.29 -1.11 0.00 0.00 177.39 177.53 2oqp n LYS 76 N -4.05 2.47 -3.62 1.96 5.02 0.45 -4.88 118.16 115.51 2oqp n LYS 76 Ca 0.42 -1.48 -0.36 0.00 -2.02 0.00 0.00 58.31 54.87 2oqp n LYS 76 Cb 1.85 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.59 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2oqp s ARG 77 N 0.83 4.12 0.49 1.97 6.06 0.95 -4.98 118.95 128.40 2oqp s ARG 77 Ca 0.66 0.02 -0.18 0.00 -2.50 0.00 0.00 55.73 53.73 2oqp s ARG 77 Cb 0.30 -3.38 -0.08 0.00 0.06 0.00 0.00 34.95 31.84 2oqp s ARG 77 CO -0.04 0.35 0.99 -1.59 -2.50 0.00 0.00 175.30 172.51 2oqp s LYS 78 N 0.14 3.92 -0.34 5.12 0.00 -1.26 -4.85 119.74 122.47 2oqp s LYS 78 Ca 0.15 1.11 -0.29 0.00 0.00 0.00 0.00 55.97 56.94 2oqp s LYS 78 Cb -0.13 -2.13 0.00 0.00 0.00 0.00 0.00 37.83 35.58 2oqp s LYS 78 CO 0.03 -0.30 1.37 -1.25 0.00 0.00 0.00 175.35 175.20 2oqp s PRO 79 N -3.66 3.78 0.90 1.78 0.04 -1.26 -5.01 135.00 131.58 2oqp s PRO 79 Ca 0.62 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2oqp s PRO 79 Cb -0.12 -3.95 0.13 0.00 0.04 0.00 0.00 34.50 30.61 2oqp s PRO 79 CO 0.24 -1.30 1.13 -1.25 0.04 0.00 0.00 177.00 175.87 2oqp s PRO 80 N 4.50 1.19 1.17 0.56 0.04 -1.26 -1.98 135.00 139.23 2oqp s PRO 80 Ca 0.59 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2oqp s PRO 80 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2oqp s PRO 80 CO 0.27 -2.16 0.00 0.43 0.04 0.00 0.00 177.00 175.58 2oqp n SER 81 N -3.75 0.00 0.06 6.66 7.64 -1.26 -2.95 113.62 120.02 2oqp n SER 81 Ca 0.07 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.91 2oqp n SER 81 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 2oqp n SER 81 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2oqp h THR 82 N 0.00 0.00 0.00 0.44 2.02 -2.00 -3.43 112.91 109.94 2oqp h THR 82 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2oqp h THR 82 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2oqp h THR 82 CO 0.00 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.48 2oqp n ASN 83 N -2.84 0.00 -1.01 4.18 4.13 -0.84 -4.88 115.26 114.01 2oqp n ASN 83 Ca -0.02 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.26 2oqp n ASN 83 Cb 0.09 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.32 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oqp n ALA 84 N 0.00 -0.39 0.00 5.41 0.00 -1.26 -4.78 120.51 119.49 2oqp n ALA 84 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2oqp n ALA 84 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.44 1.25 0.29 0.00 0.00 -1.26 -4.51 105.19 100.52 2oqp n GLY 85 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2oqp n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2oqp h ARG 86 N 0.00 0.11 0.00 1.61 2.47 -1.96 -3.39 114.38 113.22 2oqp h ARG 86 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2oqp h ARG 86 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2oqp h ARG 86 CO 0.00 0.07 0.00 -2.13 0.56 0.00 0.00 179.97 178.47 2oqp n ARG 87 N -5.34 0.00 0.00 0.04 0.63 -1.26 -5.10 116.66 105.63 2oqp n ARG 87 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2oqp n ARG 87 Cb 0.54 -0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.30 2oqp n ARG 87 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2oqp n GLN 88 N -3.26 0.00 -1.44 -0.14 6.02 -1.26 -5.01 117.38 112.29 2oqp n GLN 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2oqp n GLN 88 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2oqp n GLN 88 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2oqp n LYS 89 N -2.98 0.00 -3.46 -1.09 3.00 -1.26 -3.69 118.16 108.68 2oqp n LYS 89 Ca 0.00 0.02 -0.25 0.00 -0.00 0.00 0.00 58.31 58.07 2oqp n LYS 89 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 35.03 32.45 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2oqp n HIS 90 N -3.19 -2.01 -1.18 5.64 -0.00 -1.26 -4.67 115.22 108.55 2oqp n HIS 90 Ca 0.00 0.63 -0.47 0.00 -0.00 0.00 0.00 57.72 57.88 2oqp n HIS 90 Cb 0.35 -3.68 -0.12 0.00 -0.00 0.00 0.00 29.99 26.55 2oqp n HIS 90 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2oqp n ARG 91 N -4.12 0.00 -1.63 1.57 1.85 -1.24 -4.63 116.66 108.45 2oqp n ARG 91 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.68 2oqp n ARG 91 Cb 0.56 -1.32 -0.11 0.00 -1.05 0.00 0.00 32.46 30.54 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2oqp s LEU 92 N 6.24 2.47 -0.11 2.89 1.02 -1.26 -4.09 118.68 125.83 2oqp s LEU 92 Ca 1.11 -0.88 -0.06 0.00 0.02 0.00 0.00 54.13 54.32 2oqp s LEU 92 Cb -1.24 -2.59 0.02 0.00 0.02 0.00 0.00 46.19 42.40 2oqp s LEU 92 CO 0.53 -4.55 0.11 0.41 0.02 0.00 0.00 176.35 172.86 2oqp n THR 93 N 8.93 -7.34 -3.65 5.49 -1.04 -1.26 -4.75 114.28 110.66 2oqp n THR 93 Ca 0.42 1.44 -0.04 0.00 -2.04 0.00 0.00 64.05 63.83 2oqp n THR 93 Cb 0.46 -4.74 -0.07 0.00 -1.82 0.00 0.00 70.33 64.17 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oqp s PRO 95 N 0.21 2.04 1.05 0.00 0.04 -1.26 -4.98 135.00 132.10 2oqp s PRO 95 Ca 0.04 0.62 -0.13 0.00 0.04 0.00 0.00 61.00 61.58 2oqp s PRO 95 Cb -0.05 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 32.80 2oqp s PRO 95 CO -0.12 -1.65 1.08 -1.12 0.04 0.00 0.00 177.00 175.22 2oqp s SER 96 N -3.91 2.11 -0.41 6.66 0.01 -1.26 -4.96 113.70 111.93 2oqp s SER 96 Ca 0.61 1.26 -0.13 0.00 1.31 0.00 0.00 55.95 58.99 2oqp s SER 96 Cb -0.14 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.17 2oqp s SER 96 CO 0.54 -3.46 0.29 0.00 0.41 0.00 0.00 173.24 171.02 2oqp n ASP 98 N 5.10 0.00 -4.26 0.00 5.75 -1.26 -4.94 116.55 116.94 2oqp n ASP 98 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.27 2oqp n ASP 98 Cb 0.46 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.44 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2oqp s SER 99 N 0.00 5.54 0.00 -1.12 0.15 -1.26 -4.84 113.70 112.17 2oqp s SER 99 Ca 0.00 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2oqp s SER 99 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2oqp s SER 99 CO 0.00 -0.49 0.00 -1.22 1.20 0.00 0.00 173.24 172.73 2oqp n TYR 100 N 4.87 0.00 -3.65 3.44 4.01 -1.26 -4.98 117.16 119.59 2oqp n TYR 100 Ca -0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.62 2oqp n TYR 100 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 2oqp n TYR 100 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2oqp s GLU 101 N 0.00 0.01 0.24 -0.72 2.12 -1.26 -5.08 118.70 114.00 2oqp s GLU 101 Ca 0.00 -0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2oqp s GLU 101 Cb 0.00 0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 2oqp s GLU 101 CO 0.00 -0.00 0.38 0.15 -0.54 0.00 0.00 175.26 175.25 2oqp s LYS 102 N -1.88 3.45 0.20 4.30 3.01 -1.26 -2.76 119.74 124.81 2oqp s LYS 102 Ca 0.12 -0.64 -0.23 0.00 -1.01 0.00 0.00 55.97 54.21 2oqp s LYS 102 Cb -0.01 -2.86 0.05 0.00 -1.01 0.00 0.00 37.83 34.00 2oqp s LYS 102 CO -0.03 0.39 0.83 0.15 0.51 0.00 0.00 175.35 177.21 2oqp s LYS 103 N -3.89 1.44 0.99 1.68 1.02 0.21 -4.80 119.74 116.39 2oqp s LYS 103 Ca 0.35 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 2oqp s LYS 103 Cb -0.10 0.50 0.19 0.00 -0.52 0.00 0.00 37.83 37.91 2oqp s LYS 103 CO 0.30 -0.66 1.18 -1.25 -0.92 0.00 0.00 175.35 174.00 2oqp s PRO 104 N -3.57 0.47 0.10 -1.68 0.04 -1.26 -2.61 135.00 126.47 2oqp s PRO 104 Ca 0.11 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.06 2oqp s PRO 104 Cb -0.03 -1.78 -0.17 0.00 0.04 0.00 0.00 34.50 32.55 2oqp s PRO 104 CO 0.03 -2.60 1.25 -1.00 0.04 0.00 0.00 177.00 174.72 2oqp h PRO 105 N -1.79 0.68 -0.30 0.56 0.13 -1.83 -1.20 132.00 128.25 2oqp h PRO 105 Ca -0.48 -0.66 0.07 0.00 -0.87 0.00 0.00 66.00 64.06 2oqp h PRO 105 Cb 1.30 0.17 -0.08 0.00 0.13 0.00 0.00 31.00 32.52 2oqp h PRO 105 CO 0.50 1.26 -0.33 -0.22 -0.23 0.00 0.00 178.00 178.98 2oqp h LYS 106 N 0.41 -0.30 0.40 0.86 3.11 -1.95 0.22 116.57 119.33 2oqp h LYS 106 Ca -0.10 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 2oqp h LYS 106 Cb 1.57 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 2oqp h LYS 106 CO 0.18 -0.20 -0.19 0.93 -2.81 0.00 0.00 179.45 177.36 2oqp h GLU 107 N -0.31 -0.52 -1.53 1.90 5.08 -1.96 -1.05 114.58 116.19 2oqp h GLU 107 Ca 0.14 0.04 0.51 0.00 -1.00 0.00 0.00 59.36 59.04 2oqp h GLU 107 Cb 0.54 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 2oqp h GLU 107 CO -0.47 -0.22 1.02 0.34 -1.00 0.00 0.00 179.01 178.68 2oqp n PHE 108 N -5.16 0.54 0.00 4.33 7.35 -0.46 0.16 117.46 124.23 2oqp n PHE 108 Ca -0.09 0.55 -0.19 0.00 -0.76 0.00 0.00 57.45 56.96 2oqp n PHE 108 Cb 0.28 -1.00 -0.14 0.00 0.35 0.00 0.00 39.48 38.97 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 0.30 -2.47 -2.13 -0.00 -0.49 -1.06 115.31 109.46 2oqp h LEU 109 Ca 0.90 -0.93 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 2oqp h LEU 109 Cb 3.09 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 43.65 2oqp h LEU 109 CO -0.36 1.31 0.12 -0.08 -0.00 0.00 0.00 178.44 179.43 2oqp h GLU 110 N -0.58 0.00 0.02 1.13 4.81 0.29 -1.23 114.58 119.03 2oqp h GLU 110 Ca -0.13 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.83 2oqp h GLU 110 Cb 1.46 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 2oqp h GLU 110 CO 0.08 0.00 -1.48 -2.13 -0.73 0.00 0.00 179.01 174.75 2oqp n ARG 111 N -3.48 0.60 0.05 1.92 3.00 0.18 -3.88 116.66 115.06 2oqp n ARG 111 Ca -0.01 0.50 -0.15 0.00 -0.00 0.00 0.00 57.85 58.19 2oqp n ARG 111 Cb 0.21 -1.73 -0.09 0.00 0.00 0.00 0.00 32.46 30.85 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2oqp h PHE 112 N -0.79 -1.49 -0.78 -0.14 3.04 -0.53 0.38 116.94 116.63 2oqp h PHE 112 Ca -0.38 0.05 0.18 0.00 3.98 0.00 0.00 57.97 61.80 2oqp h PHE 112 Cb 1.47 0.65 -0.14 0.00 2.56 0.00 0.00 35.95 40.49 2oqp h PHE 112 CO 0.08 -0.56 0.00 -0.22 -2.02 0.00 0.00 178.31 175.60 2oqp h LYS 113 N -0.64 0.09 0.89 1.11 3.11 -1.46 -0.24 116.57 119.42 2oqp h LYS 113 Ca 0.02 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 2oqp h LYS 113 Cb 0.71 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.92 2oqp h LYS 113 CO -0.36 0.06 -0.45 1.03 -2.81 0.00 0.00 179.45 176.92 2oqp h SER 114 N 0.09 -1.09 -1.05 4.20 0.87 -1.29 -1.53 113.55 113.75 2oqp h SER 114 Ca 0.43 0.04 0.42 0.00 -1.23 0.00 0.00 61.79 61.45 2oqp h SER 114 Cb 0.77 0.29 -0.17 0.00 -0.44 0.00 0.00 62.40 62.85 2oqp h SER 114 CO -0.69 -0.75 0.60 -0.11 -0.53 0.00 0.00 176.83 175.34 2oqp n LEU 115 N -5.62 0.31 0.35 2.23 0.00 0.12 0.32 117.00 114.71 2oqp n LEU 115 Ca -0.16 1.56 -0.14 0.00 0.00 0.00 0.00 56.01 57.27 2oqp n LEU 115 Cb 0.49 -0.76 -0.07 0.00 0.00 0.00 0.00 43.42 43.08 2oqp n LEU 115 CO 0.39 -1.74 0.38 -0.07 0.00 0.00 0.00 177.39 176.35 2oqp h LEU 116 N 0.00 -0.78 0.00 -1.96 3.38 -0.51 -1.01 115.31 114.43 2oqp h LEU 116 Ca 0.83 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.83 2oqp h LEU 116 Cb 2.31 0.20 0.00 0.00 0.09 0.00 0.00 40.66 43.26 2oqp h LEU 116 CO -0.69 -0.42 0.00 0.00 0.09 0.00 0.00 178.44 177.42 2oqp n GLN 117 N -5.23 0.31 0.00 1.13 -0.00 0.20 0.48 117.38 114.28 2oqp n GLN 117 Ca -0.11 0.09 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 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 1.17 0.00 0.00 0.00 177.06 178.23 2oqp n LYS 118 N -1.19 0.00 -0.05 2.61 4.81 0.94 -4.43 118.16 120.86 2oqp n LYS 118 Ca 0.09 0.30 -0.04 0.00 -0.87 0.00 0.00 58.31 57.79 2oqp n LYS 118 Cb 0.10 -0.78 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 2oqp n LYS 118 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2oqp n MET 119 N -1.87 0.29 -0.30 1.64 0.00 -0.41 -3.53 117.12 112.94 2oqp n MET 119 Ca 0.00 0.31 0.29 0.00 0.00 0.00 0.00 57.70 58.29 2oqp n MET 119 Cb 0.00 -1.22 0.52 0.00 0.00 0.00 0.00 33.22 32.52 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2oqp n ILE 120 N -3.67 -0.33 0.00 1.12 -0.00 -0.77 0.22 119.36 115.93 2oqp n ILE 120 Ca -0.06 1.69 0.00 0.00 -0.00 0.00 0.00 62.75 64.38 2oqp n ILE 120 Cb 0.22 -2.75 0.00 0.00 -0.00 0.00 0.00 39.64 37.10 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 -4.82 0.00 -0.33 1.39 -0.00 0.18 -3.37 115.22 108.26 2oqp n HIS 121 Ca 0.33 0.00 0.23 0.00 -0.00 0.00 0.00 57.72 58.28 2oqp n HIS 121 Cb 1.14 -0.39 0.51 0.00 -0.00 0.00 0.00 29.99 31.25 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 2oqp h GLN 122 N 0.00 0.37 -0.97 1.57 3.07 -0.88 0.19 115.11 118.47 2oqp h GLN 122 Ca 0.00 -0.02 0.34 0.00 0.09 0.00 0.00 58.65 59.06 2oqp h GLN 122 Cb 0.00 -0.08 -0.18 0.00 0.08 0.00 0.00 27.48 27.30 2oqp h GLN 122 CO 0.00 0.25 0.30 1.58 0.09 0.00 0.00 178.83 181.05 2oqp n HIS 123 N -4.65 0.90 -0.12 0.06 -0.00 0.59 -1.81 115.22 110.19 2oqp n HIS 123 Ca 0.26 1.15 -0.25 0.00 0.46 0.00 0.00 57.72 59.35 2oqp n HIS 123 Cb 0.90 -1.40 -0.09 0.00 -0.12 0.00 0.00 29.99 29.28 2oqp n HIS 123 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2oqp n LEU 124 N -5.30 1.93 -4.60 0.27 4.77 0.46 -4.85 117.00 109.68 2oqp n LEU 124 Ca 0.31 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 56.22 2oqp n LEU 124 Cb 1.03 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2oqp n LEU 124 CO -0.03 0.37 1.31 -0.55 -1.33 0.00 0.00 177.39 177.17 2oqp s SER 125 N -7.12 6.24 0.81 -1.43 0.15 -0.03 -4.96 113.70 107.37 2oqp s SER 125 Ca -0.35 1.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.15 2oqp s SER 125 Cb 0.11 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2oqp s SER 125 CO 0.49 -1.48 0.17 -0.24 1.20 0.00 0.00 173.24 173.38 2oqp n SER 126 N 9.10 -2.64 -4.36 5.45 2.88 -1.25 -4.18 113.62 118.62 2oqp n SER 126 Ca 0.18 0.45 -0.39 0.00 -1.33 0.00 0.00 58.87 57.78 2oqp n SER 126 Cb 0.47 -1.09 -0.12 0.00 -0.75 0.00 0.00 64.21 62.73 2oqp n SER 126 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2oqp s ARG 127 N -2.66 2.90 -0.10 -1.46 3.52 -1.26 -4.97 118.95 114.92 2oqp s ARG 127 Ca 0.57 -1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.12 2oqp s ARG 127 Cb -0.30 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.49 2oqp s ARG 127 CO 0.66 -0.61 -0.08 1.15 -0.81 0.00 0.00 175.30 175.62 2oqp h THR 128 N 5.91 0.00 -2.58 4.11 2.02 -2.02 -3.50 112.91 116.85 2oqp h THR 128 Ca -0.27 -0.85 0.08 0.00 0.77 0.00 0.00 66.41 66.14 2oqp h THR 128 Cb 1.11 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.40 2oqp h THR 128 CO 0.64 0.00 0.38 -2.28 0.37 0.00 0.00 175.52 174.62 2oqp s HIS 129 N -1.76 -0.36 0.00 3.16 2.46 -1.26 -5.18 115.29 112.35 2oqp s HIS 129 Ca -0.06 0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.61 2oqp s HIS 129 Cb 0.01 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.04 2oqp s HIS 129 CO 0.09 -0.75 0.00 0.41 -2.47 0.00 0.00 174.74 172.02 2oqp n GLY 130 N -0.34 4.08 3.63 1.59 0.00 -1.26 -5.18 105.19 107.71 2oqp n GLY 130 Ca -0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 2oqp n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oqp s SER 131 N 0.00 -0.48 0.17 1.61 1.04 -1.26 -5.12 113.70 109.66 2oqp s SER 131 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2oqp s SER 131 Cb 0.00 0.92 0.00 0.00 0.10 0.00 0.00 66.02 67.04 2oqp s SER 131 CO 0.00 -0.17 0.00 -0.62 0.98 0.00 0.00 173.24 173.43 2oqp n GLU 132 N 2.20 -3.95 -4.00 4.02 1.02 -1.26 -4.97 120.64 113.70 2oqp n GLU 132 Ca -0.13 2.93 -0.33 0.00 -0.02 0.00 0.00 57.16 59.61 2oqp n GLU 132 Cb 0.56 -3.02 -0.14 0.00 -0.02 0.00 0.00 31.44 28.81 2oqp n GLU 132 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2oqp s ASP 133 N -0.55 4.69 0.00 1.62 2.15 -1.26 -5.32 116.67 117.99 2oqp s ASP 133 Ca 0.00 -1.59 0.28 0.00 0.43 0.00 0.00 52.55 51.68 2oqp s ASP 133 Cb 0.00 -1.63 1.69 0.00 -0.30 0.00 0.00 42.92 42.68 2oqp s ASP 133 CO 0.00 -0.28 2.03 -0.24 -0.17 0.00 0.00 175.17 176.51