#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s GLN 2 N 0.00 3.05 -0.09 3.17 -0.21 -1.26 -2.14 119.66 122.19 2otj s GLN 2 Ca 0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 2otj s GLN 2 Cb 0.00 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.23 2otj s GLN 2 CO 0.00 0.57 0.22 1.41 -2.12 0.00 0.00 175.29 175.37 2otj s MET 3 N -2.53 0.23 0.24 2.91 -2.45 0.11 -4.91 119.30 112.90 2otj s MET 3 Ca 0.31 0.35 -0.31 0.00 -1.25 0.00 0.00 55.69 54.80 2otj s MET 3 Cb -0.12 0.05 -0.11 0.00 1.25 0.00 0.00 34.83 35.90 2otj s MET 3 CO 0.24 -0.07 1.58 -1.25 1.05 0.00 0.00 175.02 176.58 2otj s PRO 4 N 0.42 4.17 0.35 4.11 0.04 -1.26 -0.86 135.00 141.98 2otj s PRO 4 Ca -0.03 2.48 0.07 0.00 0.04 0.00 0.00 61.00 63.56 2otj s PRO 4 Cb -0.04 -3.08 0.67 0.00 0.04 0.00 0.00 34.50 32.09 2otj s PRO 4 CO -0.02 -0.61 1.88 -0.09 0.04 0.00 0.00 177.00 178.20 2otj h ARG 5 N 5.74 0.39 -4.14 4.56 9.65 -1.83 -3.43 114.38 125.31 2otj h ARG 5 Ca -0.45 -0.09 -0.26 0.00 -1.10 0.00 0.00 59.98 58.08 2otj h ARG 5 Cb 1.21 -0.05 -0.25 0.00 -1.39 0.00 0.00 29.97 29.48 2otj h ARG 5 CO 0.85 0.48 -0.73 1.03 2.80 0.00 0.00 179.97 184.41 2otj s ARG 6 N -4.82 0.31 -0.07 0.20 0.52 -1.26 -0.75 118.95 113.08 2otj s ARG 6 Ca -0.07 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2otj s ARG 6 Cb 0.15 -0.18 0.11 0.00 0.52 0.00 0.00 34.95 35.56 2otj s ARG 6 CO 0.75 0.04 0.95 -0.59 0.02 0.00 0.00 175.30 176.47 2otj s PHE 7 N -0.61 -0.33 0.12 -0.53 -0.12 -0.62 -4.96 117.98 110.93 2otj s PHE 7 Ca -0.04 0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 56.85 2otj s PHE 7 Cb -0.05 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2otj s PHE 7 CO -0.00 -0.46 0.99 -0.80 -0.05 0.00 0.00 175.22 174.90 2otj s ASN 8 N -2.09 7.46 0.05 1.98 0.01 -1.26 -0.42 114.94 120.66 2otj s ASN 8 Ca 0.04 1.84 -0.28 0.00 -0.71 0.00 0.00 52.86 53.74 2otj s ASN 8 Cb -0.01 -2.59 0.09 0.00 0.41 0.00 0.00 41.25 39.15 2otj s ASN 8 CO -0.06 -0.10 1.06 0.28 -1.51 0.00 0.00 177.10 176.77 2otj s THR 9 N 0.01 0.00 0.21 1.60 -1.32 -0.78 -4.95 115.64 110.41 2otj s THR 9 Ca 0.48 -0.38 -0.31 0.00 -1.21 0.00 0.00 61.69 60.27 2otj s THR 9 Cb -0.24 -1.75 -0.10 0.00 -1.51 0.00 0.00 72.50 68.90 2otj s THR 9 CO 0.30 0.00 1.45 -0.47 -2.21 0.00 0.00 174.62 173.70 2otj s TYR 10 N -2.96 3.08 -0.32 9.09 5.04 -1.26 -1.65 117.35 128.38 2otj s TYR 10 Ca 0.11 0.94 -0.05 0.00 -2.44 0.00 0.00 57.07 55.63 2otj s TYR 10 Cb 0.00 -3.81 0.04 0.00 0.35 0.00 0.00 41.96 38.54 2otj s TYR 10 CO -0.02 -2.74 0.06 0.00 -1.34 0.00 0.00 175.55 171.52 2otj n PRO 12 N 4.77 0.10 -0.03 0.00 -0.04 -1.26 -0.72 135.00 137.82 2otj n PRO 12 Ca -0.13 0.55 -0.02 0.00 -0.04 0.00 0.00 63.50 63.85 2otj n PRO 12 Cb 0.45 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 2otj n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2otj h HIS 13 N 0.00 0.00 -0.02 0.54 3.86 -1.95 -3.37 115.15 114.21 2otj h HIS 13 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2otj h HIS 13 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2otj h HIS 13 CO 0.00 0.00 0.02 0.00 0.86 0.00 0.00 177.93 178.81 2otj n ASN 15 N -4.04 -3.86 -3.62 0.00 2.85 0.10 -5.03 115.26 101.66 2otj n ASN 15 Ca -0.02 -0.30 -0.07 0.00 -0.11 0.00 0.00 54.58 54.08 2otj n ASN 15 Cb 0.11 -2.92 -0.06 0.00 1.24 0.00 0.00 39.78 38.16 2otj n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2otj s GLU 16 N -5.50 0.38 0.16 1.20 -1.05 -1.20 -5.00 118.70 107.69 2otj s GLU 16 Ca 0.25 0.23 -0.33 0.00 -0.15 0.00 0.00 54.97 54.97 2otj s GLU 16 Cb -0.11 0.18 -0.13 0.00 -0.44 0.00 0.00 34.13 33.64 2otj s GLU 16 CO 0.39 -0.09 1.68 0.72 0.95 0.00 0.00 175.26 178.91 2otj n HIS 17 N 1.24 2.49 -4.07 4.83 8.25 -1.26 -3.39 115.22 123.31 2otj n HIS 17 Ca -0.09 0.12 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 2otj n HIS 17 Cb 0.57 -2.62 -0.08 0.00 1.12 0.00 0.00 29.99 28.98 2otj n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2otj s GLN 18 N 1.42 1.19 0.17 -0.41 -1.52 -0.66 -4.90 119.66 114.96 2otj s GLN 18 Ca 0.79 -1.37 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 2otj s GLN 18 Cb -0.59 0.34 -0.08 0.00 -0.22 0.00 0.00 33.01 32.46 2otj s GLN 18 CO 0.37 -0.42 1.20 -2.00 -0.25 0.00 0.00 175.29 174.18 2otj s GLU 19 N -4.05 4.48 0.20 2.91 2.12 -1.26 -1.87 118.70 121.24 2otj s GLU 19 Ca 0.26 1.86 0.11 0.00 0.36 0.00 0.00 54.97 57.56 2otj s GLU 19 Cb 0.04 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2otj s GLU 19 CO 0.05 -0.11 -0.22 -1.01 -0.54 0.00 0.00 175.26 173.43 2otj s HIS 20 N 0.12 2.21 -0.11 5.30 3.76 0.44 0.63 115.29 127.63 2otj s HIS 20 Ca 0.54 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2otj s HIS 20 Cb -0.32 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2otj s HIS 20 CO 0.35 0.50 -0.19 -2.00 -0.85 0.00 0.00 174.74 172.55 2otj s GLU 21 N -2.81 3.19 -0.06 1.40 2.12 -0.08 -1.59 118.70 120.87 2otj s GLU 21 Ca 0.21 -0.80 -0.12 0.00 0.36 0.00 0.00 54.97 54.62 2otj s GLU 21 Cb -0.07 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 2otj s GLU 21 CO 0.10 0.19 0.30 0.08 -0.54 0.00 0.00 175.26 175.39 2otj s VAL 22 N 0.35 5.23 0.01 3.70 1.01 0.07 -1.47 120.40 129.30 2otj s VAL 22 Ca -0.15 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 2otj s VAL 22 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2otj s VAL 22 CO 0.07 0.57 0.12 -0.70 0.00 0.00 0.00 175.10 175.17 2otj s GLU 23 N -0.90 0.50 -0.07 2.72 2.12 -0.82 -4.91 118.70 117.35 2otj s GLU 23 Ca 0.20 -0.48 -0.27 0.00 0.36 0.00 0.00 54.97 54.78 2otj s GLU 23 Cb -0.15 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 2otj s GLU 23 CO 0.09 -0.12 0.86 0.15 -0.54 0.00 0.00 175.26 175.70 2otj s LYS 24 N -1.66 4.45 -0.22 4.30 1.02 -1.26 -0.43 119.74 125.93 2otj s LYS 24 Ca -0.13 1.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.73 2otj s LYS 24 Cb -0.06 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 2otj s LYS 24 CO 0.00 -0.10 2.23 0.28 -0.92 0.00 0.00 175.35 176.83 2otj n VAL 25 N 4.12 0.34 -2.93 3.17 0.31 -1.07 -4.90 118.33 117.37 2otj n VAL 25 Ca 0.04 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.52 2otj n VAL 25 Cb 0.50 -2.56 -0.06 0.00 -0.91 0.00 0.00 33.84 30.81 2otj n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otj s ARG 26 N 6.37 4.54 -0.05 5.55 0.52 -1.26 -5.00 118.95 129.62 2otj s ARG 26 Ca 1.01 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 57.10 2otj s ARG 26 Cb -0.34 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 2otj s ARG 26 CO 0.35 0.45 1.65 -1.12 0.02 0.00 0.00 175.30 176.65 2otj s SER 27 N -1.39 6.67 0.31 0.23 0.01 -1.26 -4.98 113.70 113.30 2otj s SER 27 Ca 0.42 2.24 -0.28 0.00 1.31 0.00 0.00 55.95 59.63 2otj s SER 27 Cb -0.21 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 2otj s SER 27 CO 0.25 -0.92 1.13 -0.83 0.41 0.00 0.00 173.24 173.28 2otj s GLY 28 N 3.27 3.00 0.55 3.44 0.00 -1.26 -4.99 107.32 111.33 2otj s GLY 28 Ca 0.73 0.93 -0.20 0.00 0.00 0.00 0.00 44.72 46.18 2otj s GLY 28 CO 0.29 1.51 1.18 -1.60 0.00 0.00 0.00 173.10 174.48 2otj s ARG 29 N -1.70 3.24 0.45 2.90 3.52 -1.26 -5.03 118.95 121.08 2otj s ARG 29 Ca 0.48 1.77 -0.07 0.00 -0.13 0.00 0.00 55.73 57.78 2otj s ARG 29 Cb -0.32 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.98 2otj s ARG 29 CO 0.41 -0.97 0.76 -0.65 -0.81 0.00 0.00 175.30 174.04 2otj s GLN 30 N -3.19 3.61 -0.01 5.12 -0.21 -1.26 -5.01 119.66 118.72 2otj s GLN 30 Ca 0.73 0.26 0.12 0.00 0.02 0.00 0.00 55.36 56.49 2otj s GLN 30 Cb -0.28 -2.40 -0.17 0.00 1.00 0.00 0.00 33.01 31.16 2otj s GLN 30 CO 0.32 -0.13 0.37 0.25 -2.12 0.00 0.00 175.29 173.98 2otj n THR 31 N -1.89 0.00 -2.49 -0.19 -2.24 -1.26 -5.00 114.28 101.21 2otj n THR 31 Ca 0.01 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 2otj n THR 31 Cb 0.55 0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2otj n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2otj n GLY 32 N 1.59 -0.50 0.00 3.38 0.00 -1.26 -4.86 105.19 103.54 2otj n GLY 32 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2otj n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2otj n MET 33 N -3.16 1.23 -1.74 1.61 2.81 -1.26 -4.84 117.12 111.77 2otj n MET 33 Ca -0.23 -0.96 -0.30 0.00 -1.81 0.00 0.00 57.70 54.40 2otj n MET 33 Cb 0.68 -0.89 0.08 0.00 -0.71 0.00 0.00 33.22 32.38 2otj n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2otj s LYS 34 N -0.50 2.22 0.35 0.03 3.01 -1.26 -4.90 119.74 118.69 2otj s LYS 34 Ca 0.00 0.43 0.08 0.00 -1.01 0.00 0.00 55.97 55.47 2otj s LYS 34 Cb 0.00 -1.95 0.80 0.00 -1.01 0.00 0.00 37.83 35.67 2otj s LYS 34 CO 0.00 -1.48 1.87 2.35 0.51 0.00 0.00 175.35 178.60 2otj h TRP 35 N -0.98 0.83 -0.68 3.18 7.01 -1.99 -2.06 115.95 121.26 2otj h TRP 35 Ca -0.47 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.54 2otj h TRP 35 Cb 1.28 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 2otj h TRP 35 CO 0.43 0.31 0.37 0.97 -2.79 0.00 0.00 178.44 177.73 2otj h ILE 36 N 0.71 1.21 -0.69 2.65 6.09 -1.99 -0.87 117.51 124.63 2otj h ILE 36 Ca 0.45 -0.54 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2otj h ILE 36 Cb 0.69 0.33 -0.03 0.00 0.47 0.00 0.00 36.82 38.28 2otj h ILE 36 CO -0.21 0.23 0.41 0.44 -3.07 0.00 0.00 178.15 175.96 2otj h ASP 37 N 0.93 0.82 0.47 2.19 3.32 -1.71 -0.16 116.42 122.28 2otj h ASP 37 Ca 0.24 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 2otj h ASP 37 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2otj h ASP 37 CO -0.04 0.63 -0.66 0.03 -1.72 0.00 0.00 179.24 177.48 2otj h ARG 38 N 0.94 0.17 0.00 3.56 3.08 -1.28 -2.91 114.38 117.95 2otj h ARG 38 Ca 0.25 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 2otj h ARG 38 Cb -0.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2otj h ARG 38 CO -0.05 0.77 -0.84 0.37 -1.07 0.00 0.00 179.97 179.16 2otj h GLN 39 N 0.12 0.05 -0.49 0.04 4.15 -0.19 -1.91 115.11 116.88 2otj h GLN 39 Ca -0.01 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2otj h GLN 39 Cb 1.19 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2otj h GLN 39 CO 0.10 0.85 0.09 -0.09 -1.93 0.00 0.00 178.83 177.85 2otj h ARG 40 N 0.03 0.81 0.26 1.69 2.43 -0.98 0.09 114.38 118.71 2otj h ARG 40 Ca -0.02 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2otj h ARG 40 Cb 1.46 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2otj h ARG 40 CO 0.11 0.80 -0.12 1.49 -1.51 0.00 0.00 179.97 180.74 2otj h GLU 41 N 0.68 -0.34 -0.19 0.20 4.57 -1.50 -2.58 114.58 115.43 2otj h GLU 41 Ca 0.15 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 2otj h GLU 41 Cb 0.38 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2otj h GLU 41 CO 0.01 0.01 -0.24 0.00 -1.18 0.00 0.00 179.01 177.60 2otj h ARG 42 N -0.76 -0.27 -0.00 1.92 3.08 -1.30 -3.07 114.38 113.99 2otj h ARG 42 Ca -0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2otj h ARG 42 Cb 0.50 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2otj h ARG 42 CO 0.06 -0.18 -0.03 0.09 -1.07 0.00 0.00 179.97 178.84 2otj n ASN 43 N -5.37 0.05 -4.58 7.04 4.13 0.01 -4.80 115.26 111.73 2otj n ASN 43 Ca -0.02 0.20 -0.41 0.00 1.68 0.00 0.00 54.58 56.03 2otj n ASN 43 Cb 0.29 -0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 38.08 2otj n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2otj s SER 44 N -2.83 6.40 0.00 6.41 0.01 -0.97 -4.92 113.70 117.79 2otj s SER 44 Ca 0.19 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2otj s SER 44 Cb 0.19 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2otj s SER 44 CO 0.51 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2otj n GLY 45 N 4.62 5.53 3.73 3.44 0.00 -1.26 -4.96 105.19 116.28 2otj n GLY 45 Ca -0.03 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2otj n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2otj s ILE 46 N 1.65 3.00 0.00 -0.61 1.01 -1.26 -4.77 121.20 120.21 2otj s ILE 46 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2otj s ILE 46 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.96 2otj s ILE 46 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2otj n GLY 47 N 2.67 -1.66 3.76 6.18 0.00 -1.26 -4.89 105.19 109.99 2otj n GLY 47 Ca 0.08 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2otj n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2otj s ASN 48 N -4.00 6.50 -0.33 1.61 2.47 -1.26 -4.94 114.94 114.99 2otj s ASN 48 Ca 0.00 2.86 0.10 0.00 0.42 0.00 0.00 52.86 56.24 2otj s ASN 48 Cb 0.00 -2.64 0.72 0.00 -1.45 0.00 0.00 41.25 37.88 2otj s ASN 48 CO 0.00 -0.79 1.79 0.47 -3.72 0.00 0.00 177.10 174.85 2otj n ASP 49 N 1.54 4.59 0.00 -4.21 8.00 -1.26 -4.86 116.55 120.35 2otj n ASP 49 Ca 0.05 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.26 2otj n ASP 49 Cb 0.39 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2otj n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otj n GLY 50 N -0.32 3.56 0.39 0.44 0.00 -1.26 -2.10 105.19 105.91 2otj n GLY 50 Ca 0.42 -0.12 0.21 0.00 0.00 0.00 0.00 46.02 46.52 2otj n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2otj h LYS 51 N 0.00 0.04 0.00 1.61 2.10 -1.98 0.16 116.57 118.50 2otj h LYS 51 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2otj h LYS 51 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2otj h LYS 51 CO 0.00 0.03 0.00 1.19 -2.00 0.00 0.00 179.45 178.67 2otj n PHE 52 N -4.37 0.00 1.01 0.07 0.99 -0.89 -2.54 117.46 111.71 2otj n PHE 52 Ca 0.11 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.67 2otj n PHE 52 Cb 0.64 -0.14 -0.06 0.00 -1.00 0.00 0.00 39.48 38.92 2otj n PHE 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2otj n SER 53 N -1.14 1.26 -4.88 4.37 7.64 0.57 -4.89 113.62 116.54 2otj n SER 53 Ca 0.17 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.65 2otj n SER 53 Cb 0.15 0.81 0.05 0.00 -1.01 0.00 0.00 64.21 64.21 2otj n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2otj s LYS 54 N -2.85 2.85 -0.37 1.43 1.02 -1.05 -5.01 119.74 115.75 2otj s LYS 54 Ca 0.11 0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.58 2otj s LYS 54 Cb 0.17 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.57 2otj s LYS 54 CO 0.78 -1.04 0.13 0.14 -0.92 0.00 0.00 175.35 174.43 2otj s VAL 55 N -3.36 1.60 0.50 3.17 -7.23 -1.26 -5.09 120.40 108.73 2otj s VAL 55 Ca 0.58 -2.14 -0.23 0.00 -1.81 0.00 0.00 61.98 58.39 2otj s VAL 55 Cb -0.11 -2.17 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 2otj s VAL 55 CO 0.52 -0.71 1.19 -2.65 -0.31 0.00 0.00 175.10 173.13 2otj n PRO 56 N 4.20 1.54 -3.63 4.82 -0.02 -1.26 -4.99 135.00 135.67 2otj n PRO 56 Ca 0.03 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 2otj n PRO 56 Cb 0.39 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 2otj n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2otj s GLY 57 N -0.83 -0.24 0.00 -1.23 0.00 -1.26 -5.18 107.32 98.58 2otj s GLY 57 Ca 0.68 1.79 0.00 0.00 0.00 0.00 0.00 44.72 47.19 2otj s GLY 57 CO 0.53 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.83 2otj n GLY 58 N -0.05 4.38 3.11 0.20 0.00 -1.26 -5.13 105.19 106.44 2otj n GLY 58 Ca 0.04 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 2otj n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otj s ASP 59 N 0.00 -0.26 0.38 1.61 1.01 -1.26 -5.14 116.67 113.01 2otj s ASP 59 Ca 0.00 0.63 -0.25 0.00 0.71 0.00 0.00 52.55 53.65 2otj s ASP 59 Cb 0.00 0.55 -0.09 0.00 1.01 0.00 0.00 42.92 44.39 2otj s ASP 59 CO 0.00 -0.18 1.04 -0.75 0.21 0.00 0.00 175.17 175.49 2otj s LYS 60 N 1.45 4.27 0.48 8.23 2.47 -1.26 -4.92 119.74 130.45 2otj s LYS 60 Ca -0.08 1.52 0.28 0.00 -1.56 0.00 0.00 55.97 56.13 2otj s LYS 60 Cb -0.10 -2.64 1.35 0.00 -1.46 0.00 0.00 37.83 34.98 2otj s LYS 60 CO -0.10 -0.05 1.79 -1.00 0.16 0.00 0.00 175.35 176.15 2otj h PRO 61 N 2.72 0.17 -4.11 4.03 0.13 -2.05 -3.40 132.00 129.49 2otj h PRO 61 Ca -0.48 -0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.39 2otj h PRO 61 Cb 1.21 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 2otj h PRO 61 CO 0.63 0.11 -0.73 0.99 -0.23 0.00 0.00 178.00 178.78 2otj s THR 62 N -5.20 0.24 0.13 1.56 2.01 -1.26 -5.04 115.64 108.09 2otj s THR 62 Ca -0.07 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.50 2otj s THR 62 Cb 0.24 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 2otj s THR 62 CO 0.80 -0.16 0.09 -0.54 -0.69 0.00 0.00 174.62 174.13 2otj s LYS 63 N -0.67 2.80 0.77 4.92 -0.14 -1.26 -4.91 119.74 121.25 2otj s LYS 63 Ca -0.05 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 53.61 2otj s LYS 63 Cb -0.05 -2.63 0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2otj s LYS 63 CO -0.00 0.51 1.09 0.15 -0.76 0.00 0.00 175.35 176.34 2otj s LYS 64 N -2.80 2.33 -0.03 1.68 1.02 -1.26 -1.92 119.74 118.76 2otj s LYS 64 Ca 0.30 0.64 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 2otj s LYS 64 Cb -0.11 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2otj s LYS 64 CO 0.22 -1.45 1.34 0.99 -0.92 0.00 0.00 175.35 175.53 2otj s THR 65 N -3.18 3.90 -0.56 2.17 2.01 -0.56 -4.82 115.64 114.60 2otj s THR 65 Ca 0.60 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.85 2otj s THR 65 Cb -0.14 -3.80 0.14 0.00 0.01 0.00 0.00 72.50 68.71 2otj s THR 65 CO 0.54 -0.01 0.34 -0.62 -0.69 0.00 0.00 174.62 174.18 2otj s ASP 66 N 1.81 4.81 0.28 3.53 2.15 -1.26 -3.88 116.67 124.11 2otj s ASP 66 Ca 0.61 -2.88 0.08 0.00 0.43 0.00 0.00 52.55 50.79 2otj s ASP 66 Cb -0.29 -1.75 -0.06 0.00 -0.30 0.00 0.00 42.92 40.52 2otj s ASP 66 CO 0.25 -0.31 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.08 2otj s LEU 67 N -0.10 2.55 -0.12 -1.34 1.43 -1.26 -2.61 118.68 117.22 2otj s LEU 67 Ca 0.17 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 2otj s LEU 67 Cb -0.23 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.25 2otj s LEU 67 CO -0.02 -0.25 -0.20 -0.54 0.23 0.00 0.00 176.35 175.56 2otj s LYS 68 N -3.67 2.77 -0.42 1.70 1.02 0.42 -4.59 119.74 116.97 2otj s LYS 68 Ca 0.29 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.42 2otj s LYS 68 Cb 0.02 -2.22 0.08 0.00 -0.52 0.00 0.00 37.83 35.20 2otj s LYS 68 CO 0.12 0.03 0.26 0.71 -0.92 0.00 0.00 175.35 175.56 2otj s TYR 69 N 0.71 3.35 -0.22 3.18 1.51 -0.81 -1.94 117.35 123.14 2otj s TYR 69 Ca -0.11 -1.60 -0.15 0.00 -1.01 0.00 0.00 57.07 54.21 2otj s TYR 69 Cb -0.16 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 2otj s TYR 69 CO 0.02 -0.86 0.35 1.03 -1.11 0.00 0.00 175.55 174.97 2otj s ARG 70 N 1.41 4.13 0.20 -0.62 0.52 -0.55 -0.38 118.95 123.66 2otj s ARG 70 Ca 0.03 0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 55.02 2otj s ARG 70 Cb -0.23 -3.55 -0.10 0.00 0.52 0.00 0.00 34.95 31.59 2otj s ARG 70 CO 0.02 -0.04 1.48 0.00 0.02 0.00 0.00 175.30 176.77 2otj h GLY 72 N 5.93 0.00 0.00 0.00 0.00 -0.14 -2.73 103.07 106.13 2otj h GLY 72 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2otj h GLY 72 CO 0.84 0.00 -1.07 -2.21 0.00 0.00 0.00 176.54 174.10 2otj n GLU 73 N -3.65 0.41 0.07 4.80 2.13 -1.26 -4.61 120.64 118.52 2otj n GLU 73 Ca -0.01 0.17 0.11 0.00 0.66 0.00 0.00 57.16 58.09 2otj n GLU 73 Cb 0.38 -1.22 0.44 0.00 0.27 0.00 0.00 31.44 31.31 2otj n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2otj n GLY 75 N 0.49 0.74 3.82 0.00 0.00 -1.03 -5.02 105.19 104.19 2otj n GLY 75 Ca 0.04 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2otj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otj s LYS 76 N -2.04 3.30 0.47 1.61 1.02 -1.26 -4.71 119.74 118.12 2otj s LYS 76 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.79 2otj s LYS 76 Cb 0.00 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2otj s LYS 76 CO 0.00 0.76 0.68 0.00 -0.92 0.00 0.00 175.35 175.87 2otj s ALA 77 N -0.99 3.82 0.06 5.17 0.00 -1.26 -1.32 121.76 127.24 2otj s ALA 77 Ca 0.14 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 2otj s ALA 77 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.92 2otj s ALA 77 CO 0.03 -0.44 0.26 -3.38 0.00 0.00 0.00 175.76 172.24 2otj s HIS 78 N -2.58 -0.02 0.17 0.00 -3.43 0.49 -4.95 115.29 104.97 2otj s HIS 78 Ca 0.50 -0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.58 2otj s HIS 78 Cb -0.10 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 2otj s HIS 78 CO 0.38 -0.52 0.17 -0.51 -2.00 0.00 0.00 174.74 172.26 2otj s LEU 79 N -2.35 3.91 0.04 5.38 1.43 -1.26 -1.93 118.68 123.91 2otj s LEU 79 Ca -0.02 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2otj s LEU 79 Cb 0.01 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2otj s LEU 79 CO -0.06 0.05 -0.03 -0.13 0.23 0.00 0.00 176.35 176.41 2otj s ARG 80 N -3.21 0.55 0.32 1.70 0.52 -1.26 -5.04 118.95 112.53 2otj s ARG 80 Ca 0.32 -1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.15 2otj s ARG 80 Cb -0.10 0.18 -0.11 0.00 0.52 0.00 0.00 34.95 35.44 2otj s ARG 80 CO 0.25 -0.10 1.55 -2.00 0.02 0.00 0.00 175.30 175.02 2otj s GLU 81 N -3.38 4.12 0.58 3.54 2.12 -1.26 -4.84 118.70 119.57 2otj s GLU 81 Ca 0.02 2.56 0.01 0.00 0.36 0.00 0.00 54.97 57.92 2otj s GLU 81 Cb 0.04 -3.01 0.04 0.00 0.26 0.00 0.00 34.13 31.47 2otj s GLU 81 CO -0.08 -0.59 0.81 0.20 -0.54 0.00 0.00 175.26 175.06 2otj s GLY 82 N 0.26 1.81 -0.00 -1.50 0.00 -1.25 -4.98 107.32 101.66 2otj s GLY 82 Ca 0.59 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2otj s GLY 82 CO 0.53 -1.01 -0.09 0.66 0.00 0.00 0.00 173.10 173.18 2otj s TRP 83 N -2.83 0.82 -0.10 1.90 -2.14 -1.26 -4.64 118.94 110.69 2otj s TRP 83 Ca 0.58 -0.18 -0.36 0.00 2.66 0.00 0.00 56.10 58.80 2otj s TRP 83 Cb -0.10 -0.52 -0.14 0.00 -3.10 0.00 0.00 33.47 29.61 2otj s TRP 83 CO 0.39 -0.01 1.72 0.54 -2.66 0.00 0.00 176.95 176.93 2otj n ARG 84 N 2.75 1.69 -3.67 3.25 1.74 -1.26 -1.50 116.66 119.66 2otj n ARG 84 Ca -0.14 0.62 -0.13 0.00 -0.77 0.00 0.00 57.85 57.43 2otj n ARG 84 Cb 0.57 -2.37 -0.13 0.00 -1.02 0.00 0.00 32.46 29.51 2otj n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otj s ALA 85 N 2.97 -0.63 0.44 7.54 0.00 -0.81 -4.92 121.76 126.36 2otj s ALA 85 Ca 0.92 1.01 0.12 0.00 0.00 0.00 0.00 51.96 54.01 2otj s ALA 85 Cb -0.85 -1.01 0.99 0.00 0.00 0.00 0.00 23.12 22.24 2otj s ALA 85 CO 0.54 -0.61 2.03 0.78 0.00 0.00 0.00 175.76 178.50 2otj h GLY 86 N 8.15 0.18 -4.68 0.00 0.00 -1.93 -3.38 103.07 101.40 2otj h GLY 86 Ca -0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2otj h GLY 86 CO 0.16 0.08 0.04 -1.60 0.00 0.00 0.00 176.54 175.22 2otj s ARG 87 N -4.95 0.83 -0.19 4.80 3.52 -1.26 -4.95 118.95 116.75 2otj s ARG 87 Ca -0.05 0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 56.11 2otj s ARG 87 Cb 0.16 0.40 0.05 0.00 -1.56 0.00 0.00 34.95 34.00 2otj s ARG 87 CO 0.71 -0.17 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.84 2otj s LEU 88 N -0.30 1.62 -0.08 -0.88 2.96 -1.26 -0.59 118.68 120.16 2otj s LEU 88 Ca -0.05 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.07 2otj s LEU 88 Cb -0.03 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 2otj s LEU 88 CO 0.04 -0.24 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.09 2otj s GLU 89 N 1.68 2.82 0.19 1.98 2.02 -0.91 -5.00 118.70 121.49 2otj s GLU 89 Ca -0.01 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 2otj s GLU 89 Cb -0.17 -2.49 -0.07 0.00 0.10 0.00 0.00 34.13 31.50 2otj s GLU 89 CO -0.07 0.50 0.53 -0.06 0.02 0.00 0.00 175.26 176.18 2otj s PHE 90 N -0.39 3.49 -0.43 1.61 0.40 -1.25 0.06 117.98 121.46 2otj s PHE 90 Ca 0.04 0.91 -0.15 0.00 -0.60 0.00 0.00 56.93 57.13 2otj s PHE 90 Cb -0.12 -2.27 0.04 0.00 0.51 0.00 0.00 43.02 41.17 2otj s PHE 90 CO 0.02 0.34 0.35 -0.65 0.70 0.00 0.00 175.22 175.98 2otj s GLN 91 N -2.51 2.99 0.00 0.44 -0.21 -0.04 -4.85 119.66 115.48 2otj s GLN 91 Ca 0.43 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2otj s GLN 91 Cb -0.12 -4.04 0.00 0.00 1.00 0.00 0.00 33.01 29.85 2otj s GLN 91 CO 0.20 -0.87 0.00 0.39 -2.12 0.00 0.00 175.29 172.90