#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7z s GLN 2 N 0.00 4.03 -0.12 0.54 0.74 -1.26 -5.09 119.66 118.50 2b7z s GLN 2 Ca 0.00 0.45 -0.00 0.00 0.05 0.00 0.00 55.36 55.85 2b7z s GLN 2 Cb 0.00 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.87 2b7z s GLN 2 CO 0.00 0.58 -0.07 0.42 -0.55 0.00 0.00 175.29 175.68 2b7z s ILE 3 N -0.76 1.02 0.80 -2.34 1.01 -1.26 -5.13 121.20 114.54 2b7z s ILE 3 Ca 0.24 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 2b7z s ILE 3 Cb -0.17 -1.07 0.07 0.00 0.01 0.00 0.00 42.46 41.30 2b7z s ILE 3 CO 0.13 0.32 1.15 0.42 0.00 0.00 0.00 174.94 176.96 2b7z s THR 4 N 1.70 2.40 -0.23 2.92 -4.23 -1.26 -5.00 115.64 111.94 2b7z s THR 4 Ca 0.04 0.13 0.14 0.00 -1.18 0.00 0.00 61.69 60.82 2b7z s THR 4 Cb -0.13 -3.08 0.59 0.00 1.34 0.00 0.00 72.50 71.23 2b7z s THR 4 CO -0.08 -0.17 1.53 0.18 -0.54 0.00 0.00 174.62 175.54 2b7z n LEU 5 N -3.32 4.48 0.12 4.79 4.77 -1.26 -4.54 117.00 122.05 2b7z n LEU 5 Ca 0.07 -3.17 0.13 0.00 -0.03 0.00 0.00 56.01 53.02 2b7z n LEU 5 Cb 0.60 -0.61 0.45 0.00 -2.33 0.00 0.00 43.42 41.53 2b7z n LEU 5 CO 0.57 0.78 0.87 0.79 -1.33 0.00 0.00 177.39 179.08 2b7z n TRP 6 N -0.44 0.91 -4.35 -1.77 7.02 -1.26 -4.66 117.44 112.89 2b7z n TRP 6 Ca 0.27 0.31 -0.18 0.00 -1.02 0.00 0.00 57.50 56.89 2b7z n TRP 6 Cb 1.03 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.82 2b7z n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2b7z s GLN 7 N -3.22 1.41 0.09 -0.99 -1.52 -1.26 -5.12 119.66 109.05 2b7z s GLN 7 Ca 0.07 -1.74 -0.35 0.00 -1.95 0.00 0.00 55.36 51.38 2b7z s GLN 7 Cb 0.11 -0.57 -0.15 0.00 -0.22 0.00 0.00 33.01 32.18 2b7z s GLN 7 CO 0.50 -0.17 1.50 0.54 -0.25 0.00 0.00 175.29 177.41 2b7z n ARG 8 N -0.48 1.66 -2.30 2.91 1.74 -1.26 -4.86 116.66 114.07 2b7z n ARG 8 Ca -0.03 0.60 -0.38 0.00 -0.77 0.00 0.00 57.85 57.27 2b7z n ARG 8 Cb 0.65 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 2b7z n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2b7z n PRO 9 N 3.32 2.55 -3.35 5.56 -0.04 -1.26 -4.96 135.00 136.81 2b7z n PRO 9 Ca 0.18 -2.91 -0.34 0.00 -0.04 0.00 0.00 63.50 60.40 2b7z n PRO 9 Cb 0.24 -3.55 -0.06 0.00 -0.04 0.00 0.00 33.50 30.09 2b7z n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b7z s LEU 10 N 6.45 4.28 0.00 1.53 1.43 -1.26 -0.32 118.68 130.79 2b7z s LEU 10 Ca 0.59 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2b7z s LEU 10 Cb 0.03 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 2b7z s LEU 10 CO 0.09 0.03 0.02 0.68 0.23 0.00 0.00 176.35 177.41 2b7z s VAL 11 N -1.59 0.06 0.12 -1.59 -7.23 0.18 -4.92 120.40 105.42 2b7z s VAL 11 Ca 0.42 -0.50 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 2b7z s VAL 11 Cb -0.14 -0.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.53 2b7z s VAL 11 CO 0.20 -0.28 0.67 -0.89 -0.31 0.00 0.00 175.10 174.50 2b7z s THR 12 N -0.83 4.56 0.02 5.32 2.01 -1.26 -0.88 115.64 124.58 2b7z s THR 12 Ca -0.09 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.39 2b7z s THR 12 Cb -0.06 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2b7z s THR 12 CO -0.00 0.53 -0.07 0.27 -0.69 0.00 0.00 174.62 174.67 2b7z s ILE 13 N -1.09 0.49 -0.20 1.82 -5.25 0.12 -2.23 121.20 114.86 2b7z s ILE 13 Ca 0.32 -0.68 -0.05 0.00 -0.99 0.00 0.00 60.65 59.25 2b7z s ILE 13 Cb -0.21 -0.49 -0.02 0.00 2.95 0.00 0.00 42.46 44.68 2b7z s ILE 13 CO 0.23 -0.15 -0.00 -0.75 -1.79 0.00 0.00 174.94 172.48 2b7z s LYS 14 N -0.90 3.62 -0.12 0.37 2.20 -0.28 -1.31 119.74 123.32 2b7z s LYS 14 Ca -0.04 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 2b7z s LYS 14 Cb -0.06 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.24 2b7z s LYS 14 CO 0.00 0.03 0.28 -1.50 -0.36 0.00 0.00 175.35 173.80 2b7z s ILE 15 N 0.96 -0.20 -1.30 5.43 2.07 -0.06 -0.24 121.20 127.86 2b7z s ILE 15 Ca 0.01 0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 2b7z s ILE 15 Cb -0.14 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.01 2b7z s ILE 15 CO 0.02 0.08 0.14 0.61 -1.91 0.00 0.00 174.94 173.87 2b7z n GLY 16 N 4.68 -0.27 2.34 1.50 0.00 -1.26 -1.76 105.19 110.42 2b7z n GLY 16 Ca -0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 2b7z n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7z n GLY 17 N -1.11 0.37 3.46 -0.02 0.00 -1.26 -4.98 105.19 101.65 2b7z n GLY 17 Ca -0.16 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2b7z n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b7z s GLN 18 N -0.83 1.68 -0.02 1.61 -0.21 -0.72 -5.14 119.66 116.04 2b7z s GLN 18 Ca 0.00 -1.22 -0.02 0.00 0.02 0.00 0.00 55.36 54.14 2b7z s GLN 18 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2b7z s GLN 18 CO 0.00 0.47 0.12 -0.51 -2.12 0.00 0.00 175.29 173.25 2b7z s LEU 19 N -2.08 4.10 0.18 2.90 1.43 -1.26 -0.88 118.68 123.07 2b7z s LEU 19 Ca 0.17 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.28 2b7z s LEU 19 Cb -0.10 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.82 2b7z s LEU 19 CO 0.09 0.28 0.64 -0.13 0.23 0.00 0.00 176.35 177.46 2b7z s ARG 20 N -1.72 1.39 -0.19 1.70 1.81 -0.43 -5.00 118.95 116.52 2b7z s ARG 20 Ca 0.23 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 53.59 2b7z s ARG 20 Cb -0.12 0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 34.93 2b7z s ARG 20 CO 0.14 -0.62 0.03 -1.21 -0.68 0.00 0.00 175.30 172.96 2b7z s GLU 21 N -3.77 3.81 0.09 3.54 2.02 -1.26 0.14 118.70 123.27 2b7z s GLU 21 Ca 0.04 -0.43 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2b7z s GLU 21 Cb -0.02 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2b7z s GLU 21 CO -0.08 0.17 -0.13 0.00 0.02 0.00 0.00 175.26 175.24 2b7z s ALA 22 N 0.62 2.83 -0.21 5.21 0.00 -0.06 -4.53 121.76 125.62 2b7z s ALA 22 Ca 0.01 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2b7z s ALA 22 Cb -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2b7z s ALA 22 CO 0.02 0.62 0.58 -1.17 0.00 0.00 0.00 175.76 175.80 2b7z s LEU 23 N -2.03 4.13 -0.28 0.00 0.20 -0.17 -0.64 118.68 119.89 2b7z s LEU 23 Ca 0.19 0.73 -0.28 0.00 0.69 0.00 0.00 54.13 55.46 2b7z s LEU 23 Cb -0.11 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.81 2b7z s LEU 23 CO 0.11 -0.25 2.11 -0.76 -0.29 0.00 0.00 176.35 177.27 2b7z s LEU 24 N 1.92 3.45 -0.45 -0.68 1.43 0.57 -1.72 118.68 123.20 2b7z s LEU 24 Ca 0.26 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2b7z s LEU 24 Cb -0.16 -3.43 0.13 0.00 0.03 0.00 0.00 46.19 42.76 2b7z s LEU 24 CO 0.10 -1.96 0.22 -0.62 0.23 0.00 0.00 176.35 174.31 2b7z s ASP 25 N 7.95 3.98 0.16 2.29 -1.08 -0.63 -4.77 116.67 124.58 2b7z s ASP 25 Ca 0.94 -2.64 0.17 0.00 -0.52 0.00 0.00 52.55 50.50 2b7z s ASP 25 Cb -0.29 -1.27 0.77 0.00 -1.46 0.00 0.00 42.92 40.68 2b7z s ASP 25 CO 0.34 -0.27 1.53 0.35 0.52 0.00 0.00 175.17 177.63 2b7z n THR 26 N 3.55 1.09 1.41 1.71 -2.24 -1.26 -1.44 114.28 117.09 2b7z n THR 26 Ca 0.06 0.37 0.14 0.00 -2.27 0.00 0.00 64.05 62.35 2b7z n THR 26 Cb 0.35 -1.27 0.50 0.00 -2.10 0.00 0.00 70.33 67.81 2b7z n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b7z n GLY 27 N -0.46 -0.45 3.52 3.38 0.00 -1.26 -4.83 105.19 105.09 2b7z n GLY 27 Ca 0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2b7z n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b7z s ALA 28 N -2.28 3.13 0.14 4.61 0.00 -0.52 -4.98 121.76 121.85 2b7z s ALA 28 Ca 0.31 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2b7z s ALA 28 Cb 0.20 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.51 2b7z s ALA 28 CO 0.43 0.08 1.32 -0.44 0.00 0.00 0.00 175.76 177.16 2b7z h ASP 29 N 6.96 0.41 -1.22 0.00 3.32 -1.88 -0.13 116.42 123.89 2b7z h ASP 29 Ca -0.34 -0.34 -0.59 0.00 0.02 0.00 0.00 57.03 55.78 2b7z h ASP 29 Cb 1.18 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 2b7z h ASP 29 CO 0.64 1.15 -0.46 -1.81 -1.72 0.00 0.00 179.24 177.04 2b7z s ASP 30 N -7.02 4.41 -0.14 6.45 1.01 -1.26 -2.69 116.67 117.42 2b7z s ASP 30 Ca -0.04 -1.20 -0.01 0.00 0.71 0.00 0.00 52.55 52.00 2b7z s ASP 30 Cb 0.09 -0.16 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 2b7z s ASP 30 CO 0.85 -0.70 -0.10 -0.89 0.21 0.00 0.00 175.17 174.55 2b7z s THR 31 N -2.68 3.34 0.02 -1.27 2.01 -1.26 -3.06 115.64 112.73 2b7z s THR 31 Ca 0.34 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2b7z s THR 31 Cb 0.03 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2b7z s THR 31 CO 0.19 0.51 -0.06 -0.51 -0.69 0.00 0.00 174.62 174.07 2b7z s ILE 32 N 0.34 0.41 0.06 1.82 2.07 -0.78 -0.62 121.20 124.50 2b7z s ILE 32 Ca -0.09 -0.61 0.08 0.00 -1.41 0.00 0.00 60.65 58.62 2b7z s ILE 32 Cb -0.15 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 2b7z s ILE 32 CO 0.05 -0.15 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.36 2b7z s PHE 33 N -0.73 1.82 0.00 3.50 0.40 -0.43 -1.57 117.98 120.96 2b7z s PHE 33 Ca -0.04 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2b7z s PHE 33 Cb -0.06 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.41 2b7z s PHE 33 CO 0.00 0.12 0.91 -1.91 0.70 0.00 0.00 175.22 175.04 2b7z n GLU 34 N 1.65 0.00 -3.54 0.44 0.00 -1.26 -1.98 120.64 115.95 2b7z n GLU 34 Ca -0.18 0.41 -0.22 0.00 0.00 0.00 0.00 57.16 57.17 2b7z n GLU 34 Cb 0.53 -1.41 -0.15 0.00 0.00 0.00 0.00 31.44 30.42 2b7z n GLU 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2b7z s GLU 35 N -2.63 0.14 -0.01 5.31 1.03 -1.26 -3.98 118.70 117.29 2b7z s GLU 35 Ca 0.00 -0.00 -0.06 0.00 0.03 0.00 0.00 54.97 54.93 2b7z s GLU 35 Cb 0.00 -1.44 0.00 0.00 -0.80 0.00 0.00 34.13 31.89 2b7z s GLU 35 CO 0.00 -0.72 0.13 0.96 -1.33 0.00 0.00 175.26 174.31 2b7z s ILE 36 N 2.23 0.06 -0.40 1.83 -0.00 -1.26 -5.13 121.20 118.53 2b7z s ILE 36 Ca 0.05 -0.49 -0.21 0.00 -0.00 0.00 0.00 60.65 59.99 2b7z s ILE 36 Cb -0.16 -0.36 0.01 0.00 -0.00 0.00 0.00 42.46 41.96 2b7z s ILE 36 CO -0.14 -0.27 0.69 -0.44 -0.00 0.00 0.00 174.94 174.78 2b7z s SER 37 N -0.94 6.41 -0.06 4.36 0.01 -1.26 -5.04 113.70 117.18 2b7z s SER 37 Ca -0.10 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2b7z s SER 37 Cb -0.06 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2b7z s SER 37 CO 0.01 -0.74 -0.06 -0.76 0.41 0.00 0.00 173.24 172.10 2b7z s LEU 38 N 2.93 3.19 0.33 2.44 1.02 -1.26 -4.86 118.68 122.47 2b7z s LEU 38 Ca 0.26 -0.03 -0.20 0.00 0.02 0.00 0.00 54.13 54.18 2b7z s LEU 38 Cb -0.14 -1.72 -0.10 0.00 0.02 0.00 0.00 46.19 44.26 2b7z s LEU 38 CO 0.18 0.35 0.83 -2.16 0.02 0.00 0.00 176.35 175.58 2b7z s PRO 39 N -0.91 4.23 0.00 1.29 0.04 -1.26 -5.00 135.00 133.40 2b7z s PRO 39 Ca 0.13 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2b7z s PRO 39 Cb -0.11 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2b7z s PRO 39 CO 0.02 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2b7z n GLY 40 N -0.03 -1.95 3.79 0.56 0.00 -1.26 -5.00 105.19 101.31 2b7z n GLY 40 Ca 0.03 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 2b7z n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2b7z s ARG 41 N -0.15 0.76 -0.05 1.61 1.04 -1.26 -5.09 118.95 115.81 2b7z s ARG 41 Ca 0.00 0.10 -0.29 0.00 -1.04 0.00 0.00 55.73 54.50 2b7z s ARG 41 Cb 0.00 -1.81 0.10 0.00 -2.04 0.00 0.00 34.95 31.20 2b7z s ARG 41 CO 0.00 -2.42 0.86 1.67 -0.04 0.00 0.00 175.30 175.37 2b7z s TRP 42 N -3.37 -0.43 -0.08 5.89 1.48 -1.26 -4.78 118.94 116.39 2b7z s TRP 42 Ca 0.67 0.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.26 2b7z s TRP 42 Cb -0.12 0.48 -0.03 0.00 -1.16 0.00 0.00 33.47 32.65 2b7z s TRP 42 CO 0.53 -0.51 -0.07 0.15 -4.06 0.00 0.00 176.95 172.99 2b7z s LYS 43 N -2.10 2.89 0.67 3.25 3.01 -0.75 -4.84 119.74 121.89 2b7z s LYS 43 Ca -0.01 -0.55 -0.17 0.00 -1.01 0.00 0.00 55.97 54.23 2b7z s LYS 43 Cb -0.01 -2.63 0.00 0.00 -1.01 0.00 0.00 37.83 34.18 2b7z s LYS 43 CO -0.02 0.59 1.27 -2.14 0.51 0.00 0.00 175.35 175.56 2b7z s PRO 44 N -0.61 2.45 -0.15 -1.68 0.02 -1.26 -0.13 135.00 133.64 2b7z s PRO 44 Ca 0.09 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.90 2b7z s PRO 44 Cb -0.12 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.61 2b7z s PRO 44 CO 0.02 -1.65 0.49 0.21 -0.33 0.00 0.00 177.00 175.74 2b7z s LYS 45 N -3.51 0.64 -0.25 5.54 2.20 0.14 -4.76 119.74 119.73 2b7z s LYS 45 Ca 0.80 0.55 0.03 0.00 -0.36 0.00 0.00 55.97 56.98 2b7z s LYS 45 Cb -0.35 0.31 0.06 0.00 -1.51 0.00 0.00 37.83 36.33 2b7z s LYS 45 CO 0.41 -0.11 -0.11 0.42 -0.36 0.00 0.00 175.35 175.60 2b7z s ILE 46 N -0.07 2.12 0.05 5.43 1.01 -1.26 0.46 121.20 128.93 2b7z s ILE 46 Ca -0.03 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.07 2b7z s ILE 46 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2b7z s ILE 46 CO 0.02 0.01 0.17 0.27 0.00 0.00 0.00 174.94 175.41 2b7z s ILE 47 N 1.14 5.17 -0.11 2.92 -4.36 -0.62 -4.89 121.20 120.43 2b7z s ILE 47 Ca -0.08 -0.44 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 2b7z s ILE 47 Cb -0.19 -3.49 -0.03 0.00 1.25 0.00 0.00 42.46 40.00 2b7z s ILE 47 CO -0.06 0.18 -0.06 -0.83 0.24 0.00 0.00 174.94 174.41 2b7z s GLY 48 N -2.35 1.70 0.07 6.27 0.00 -1.26 -1.25 107.32 110.50 2b7z s GLY 48 Ca 0.32 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.20 2b7z s GLY 48 CO 0.24 -0.34 0.05 0.61 0.00 0.00 0.00 173.10 173.65 2b7z n GLY 49 N 2.94 3.86 3.70 0.20 0.00 -0.54 -5.01 105.19 110.34 2b7z n GLY 49 Ca -0.18 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2b7z n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2b7z s ILE 50 N -2.11 3.80 0.00 -0.61 2.07 -1.26 -2.74 121.20 120.35 2b7z s ILE 50 Ca 0.06 1.23 0.00 0.00 -1.41 0.00 0.00 60.65 60.54 2b7z s ILE 50 Cb 0.00 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.80 2b7z s ILE 50 CO 0.05 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2b7z n GLY 51 N 3.46 0.26 0.00 1.50 0.00 -1.26 -5.00 105.19 104.15 2b7z n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2b7z n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7z n GLY 52 N -1.87 0.97 3.75 -0.02 0.00 -1.11 -5.11 105.19 101.79 2b7z n GLY 52 Ca 0.00 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 2b7z n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b7z s PHE 53 N -1.17 3.08 0.03 1.61 0.40 -1.26 -1.47 117.98 119.19 2b7z s PHE 53 Ca 0.00 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 2b7z s PHE 53 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2b7z s PHE 53 CO 0.00 0.51 -0.06 0.96 0.70 0.00 0.00 175.22 177.33 2b7z s ILE 54 N -1.55 0.42 -0.09 0.64 -4.36 -0.38 -4.99 121.20 110.90 2b7z s ILE 54 Ca 0.29 -0.93 -0.20 0.00 -0.26 0.00 0.00 60.65 59.54 2b7z s ILE 54 Cb -0.11 -0.50 -0.04 0.00 1.25 0.00 0.00 42.46 43.06 2b7z s ILE 54 CO 0.21 -0.35 0.56 -0.54 0.24 0.00 0.00 174.94 175.07 2b7z s LYS 55 N -1.37 4.37 0.11 0.37 -0.14 -1.26 -1.59 119.74 120.22 2b7z s LYS 55 Ca -0.10 0.62 -0.05 0.00 -1.36 0.00 0.00 55.97 55.09 2b7z s LYS 55 Cb -0.09 -3.43 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2b7z s LYS 55 CO 0.00 0.15 0.11 0.14 -0.76 0.00 0.00 175.35 175.00 2b7z s VAL 56 N 0.59 0.13 -0.02 3.17 -7.23 0.17 -4.49 120.40 112.73 2b7z s VAL 56 Ca 0.30 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 2b7z s VAL 56 Cb -0.16 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2b7z s VAL 56 CO 0.14 -0.61 0.14 0.00 -0.31 0.00 0.00 175.10 174.45 2b7z s ARG 57 N -3.95 3.30 -0.18 4.82 3.03 -0.92 0.25 118.95 125.29 2b7z s ARG 57 Ca 0.14 -0.36 -0.05 0.00 2.03 0.00 0.00 55.73 57.49 2b7z s ARG 57 Cb 0.06 -3.02 -0.03 0.00 -1.03 0.00 0.00 34.95 30.93 2b7z s ARG 57 CO -0.05 0.68 0.01 -1.14 -1.13 0.00 0.00 175.30 173.67 2b7z s GLN 58 N -1.74 3.72 -0.15 3.89 0.74 0.82 -2.14 119.66 124.81 2b7z s GLN 58 Ca 0.24 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2b7z s GLN 58 Cb -0.12 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 30.91 2b7z s GLN 58 CO 0.15 0.14 -0.16 0.71 -0.55 0.00 0.00 175.29 175.58 2b7z s TYR 59 N 0.68 2.76 0.34 1.67 2.02 -0.65 -1.80 117.35 122.37 2b7z s TYR 59 Ca 0.00 -0.99 0.07 0.00 -0.37 0.00 0.00 57.07 55.78 2b7z s TYR 59 Cb -0.14 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2b7z s TYR 59 CO 0.02 -0.43 0.40 -0.51 -1.57 0.00 0.00 175.55 173.46 2b7z s ASP 60 N 0.70 5.66 -1.42 2.29 1.01 -1.26 -0.09 116.67 123.55 2b7z s ASP 60 Ca -0.08 -0.34 -0.04 0.00 0.71 0.00 0.00 52.55 52.81 2b7z s ASP 60 Cb -0.16 -1.07 0.03 0.00 1.01 0.00 0.00 42.92 42.73 2b7z s ASP 60 CO 0.02 -0.43 0.61 0.00 0.21 0.00 0.00 175.17 175.58 2b7z n GLN 61 N -1.55 -4.05 -3.62 8.23 6.02 -1.22 -4.86 117.38 116.34 2b7z n GLN 61 Ca -0.00 0.49 -0.37 0.00 -0.01 0.00 0.00 57.00 57.10 2b7z n GLN 61 Cb 0.59 -4.91 -0.10 0.00 1.02 0.00 0.00 30.24 26.84 2b7z n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2b7z s ILE 62 N -3.72 5.32 0.09 5.09 -1.09 0.01 -4.79 121.20 122.11 2b7z s ILE 62 Ca 0.17 0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 58.45 2b7z s ILE 62 Cb -0.09 -3.52 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2b7z s ILE 62 CO 0.86 0.29 1.37 -2.84 -1.23 0.00 0.00 174.94 173.39 2b7z s PRO 63 N 1.50 4.33 -0.10 2.79 0.02 -1.26 -1.98 135.00 140.30 2b7z s PRO 63 Ca 0.07 2.03 -0.05 0.00 0.02 0.00 0.00 61.00 63.07 2b7z s PRO 63 Cb -0.15 -3.31 0.04 0.00 0.02 0.00 0.00 34.50 31.10 2b7z s PRO 63 CO 0.09 -0.44 0.23 -1.50 -0.33 0.00 0.00 177.00 175.04 2b7z s ILE 64 N 1.29 -0.04 -0.37 2.83 2.07 0.90 -4.27 121.20 123.61 2b7z s ILE 64 Ca 0.64 0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 59.86 2b7z s ILE 64 Cb -0.35 -0.35 -0.00 0.00 0.13 0.00 0.00 42.46 41.88 2b7z s ILE 64 CO 0.30 0.06 0.36 -1.61 -1.91 0.00 0.00 174.94 172.13 2b7z s GLU 65 N 1.14 3.39 -0.30 3.50 2.02 0.67 -1.73 118.70 127.38 2b7z s GLU 65 Ca -0.08 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.26 2b7z s GLU 65 Cb -0.10 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.29 2b7z s GLU 65 CO -0.07 -0.61 0.08 0.42 0.02 0.00 0.00 175.26 175.09 2b7z s ILE 66 N 1.98 3.85 -1.50 -1.63 1.01 0.72 -1.12 121.20 124.50 2b7z s ILE 66 Ca 0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 2b7z s ILE 66 Cb -0.17 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.33 2b7z s ILE 66 CO 0.12 0.02 0.62 0.00 0.00 0.00 0.00 174.94 175.70 2b7z n GLY 68 N -1.75 1.27 3.85 0.00 0.00 -1.26 -5.02 105.19 102.28 2b7z n GLY 68 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2b7z n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b7z s HIS 69 N -3.59 3.54 -0.26 1.61 4.02 0.12 -5.08 115.29 115.64 2b7z s HIS 69 Ca 0.00 0.48 -0.11 0.00 1.02 0.00 0.00 55.06 56.46 2b7z s HIS 69 Cb 0.00 -1.92 -0.05 0.00 -1.02 0.00 0.00 32.58 29.59 2b7z s HIS 69 CO 0.00 0.70 0.17 0.15 1.02 0.00 0.00 174.74 176.78 2b7z s LYS 70 N -0.98 3.97 0.16 1.40 1.02 -1.26 -0.20 119.74 123.83 2b7z s LYS 70 Ca 0.15 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 2b7z s LYS 70 Cb -0.12 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2b7z s LYS 70 CO 0.04 -0.10 0.11 0.14 -0.92 0.00 0.00 175.35 174.61 2b7z s VAL 71 N 1.52 0.07 -0.00 3.17 -7.23 -0.71 -5.01 120.40 112.20 2b7z s VAL 71 Ca 0.07 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2b7z s VAL 71 Cb -0.15 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 2b7z s VAL 71 CO 0.08 -0.31 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.04 2b7z s ILE 72 N -4.07 0.18 0.01 -0.62 2.07 -1.26 -0.07 121.20 117.43 2b7z s ILE 72 Ca 0.28 -0.09 -0.20 0.00 -1.41 0.00 0.00 60.65 59.23 2b7z s ILE 72 Cb 0.07 -0.16 0.07 0.00 0.13 0.00 0.00 42.46 42.56 2b7z s ILE 72 CO 0.05 0.05 0.90 0.61 -1.91 0.00 0.00 174.94 174.64 2b7z n GLY 73 N 3.07 0.41 3.73 1.50 0.00 -0.84 -4.85 105.19 108.21 2b7z n GLY 73 Ca -0.13 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2b7z n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b7z s THR 74 N -2.08 4.33 -0.05 2.61 -4.23 -1.26 -0.81 115.64 114.15 2b7z s THR 74 Ca 0.21 1.96 0.04 0.00 -1.18 0.00 0.00 61.69 62.72 2b7z s THR 74 Cb -0.01 -4.25 -0.00 0.00 1.34 0.00 0.00 72.50 69.58 2b7z s THR 74 CO 0.00 0.31 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.52 2b7z s VAL 75 N -0.08 1.53 0.13 2.29 1.01 0.87 -4.61 120.40 121.53 2b7z s VAL 75 Ca 0.47 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2b7z s VAL 75 Cb -0.25 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2b7z s VAL 75 CO 0.31 0.44 0.29 -0.76 0.00 0.00 0.00 175.10 175.38 2b7z s LEU 76 N 0.13 4.31 -0.08 3.92 1.43 0.21 -1.63 118.68 126.97 2b7z s LEU 76 Ca -0.07 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2b7z s LEU 76 Cb -0.13 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.08 2b7z s LEU 76 CO 0.03 0.07 -0.01 -0.69 0.23 0.00 0.00 176.35 175.99 2b7z s VAL 77 N -1.67 0.47 0.10 -1.59 1.01 -0.91 -1.32 120.40 116.49 2b7z s VAL 77 Ca 0.36 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 2b7z s VAL 77 Cb -0.12 -0.61 0.07 0.00 0.00 0.00 0.00 36.38 35.72 2b7z s VAL 77 CO 0.28 0.28 0.93 0.61 0.00 0.00 0.00 175.10 177.20 2b7z n GLY 78 N 5.11 0.57 3.15 4.51 0.00 -0.84 -2.17 105.19 115.52 2b7z n GLY 78 Ca -0.08 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2b7z n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7z n PRO 79 N -0.66 1.22 -3.97 1.61 -0.04 -1.26 -4.08 135.00 127.82 2b7z n PRO 79 Ca -0.00 -1.65 -0.28 0.00 -0.04 0.00 0.00 63.50 61.53 2b7z n PRO 79 Cb 0.49 -2.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.10 2b7z n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b7z s THR 80 N 5.32 5.14 -1.13 0.52 -1.32 -1.26 -5.00 115.64 117.91 2b7z s THR 80 Ca 0.58 -0.68 0.27 0.00 -1.21 0.00 0.00 61.69 60.66 2b7z s THR 80 Cb 0.14 -3.59 0.16 0.00 -1.51 0.00 0.00 72.50 67.70 2b7z s THR 80 CO 0.16 -0.01 1.66 -2.65 -2.21 0.00 0.00 174.62 171.56 2b7z n PRO 81 N -0.20 0.14 -3.68 7.08 -0.02 -1.26 -4.65 135.00 132.40 2b7z n PRO 81 Ca -0.07 -0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.22 2b7z n PRO 81 Cb 0.53 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.43 2b7z n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b7z s ALA 82 N -2.90 -1.35 0.07 3.55 0.00 -1.26 -5.09 121.76 114.78 2b7z s ALA 82 Ca 0.15 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 2b7z s ALA 82 Cb 0.18 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 2b7z s ALA 82 CO 0.60 -0.27 1.16 -0.80 0.00 0.00 0.00 175.76 176.46 2b7z s ASN 83 N 0.14 7.13 -0.04 0.00 0.01 -1.26 -4.76 114.94 116.16 2b7z s ASN 83 Ca -0.01 2.00 0.03 0.00 -0.71 0.00 0.00 52.86 54.17 2b7z s ASN 83 Cb -0.04 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2b7z s ASN 83 CO 0.01 -0.41 -0.12 0.68 -1.51 0.00 0.00 177.10 175.75 2b7z s VAL 84 N 0.85 1.07 -0.21 1.60 -7.23 -0.61 -1.00 120.40 114.87 2b7z s VAL 84 Ca 0.57 -0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 60.08 2b7z s VAL 84 Cb -0.29 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2b7z s VAL 84 CO 0.30 0.32 0.40 -0.63 -0.31 0.00 0.00 175.10 175.19 2b7z s ILE 85 N 0.27 5.19 0.66 -0.62 -1.09 -0.70 -1.86 121.20 123.05 2b7z s ILE 85 Ca -0.06 0.71 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 2b7z s ILE 85 Cb -0.11 -3.73 0.12 0.00 -1.58 0.00 0.00 42.46 37.15 2b7z s ILE 85 CO 0.02 0.24 0.91 0.61 -1.23 0.00 0.00 174.94 175.48 2b7z n GLY 86 N 3.99 1.42 0.26 6.18 0.00 -1.17 -1.61 105.19 114.26 2b7z n GLY 86 Ca -0.08 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 43.89 2b7z n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b7z h ARG 87 N 0.00 0.00 -0.09 1.61 3.08 -1.09 -0.36 114.38 117.52 2b7z h ARG 87 Ca -0.30 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.77 2b7z h ARG 87 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2b7z h ARG 87 CO 0.38 0.05 0.10 -2.95 -1.07 0.00 0.00 179.97 176.49 2b7z h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.76 -1.55 115.58 118.23 2b7z h ASN 88 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 2b7z h ASN 88 Cb 0.11 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.32 2b7z h ASN 88 CO 0.01 0.00 -1.77 0.18 0.07 0.00 0.00 177.43 175.92 2b7z n LEU 89 N -3.88 0.39 0.23 6.14 4.32 -0.82 -4.48 117.00 118.89 2b7z n LEU 89 Ca -0.01 -0.01 0.08 0.00 -0.02 0.00 0.00 56.01 56.06 2b7z n LEU 89 Cb 0.20 0.17 0.55 0.00 -1.62 0.00 0.00 43.42 42.72 2b7z n LEU 89 CO 0.28 0.33 0.86 0.24 -1.22 0.00 0.00 177.39 177.89 2b7z h MET 90 N 0.00 0.00 -0.35 3.23 2.86 -0.84 -1.45 114.93 118.39 2b7z h MET 90 Ca -0.30 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.22 2b7z h MET 90 Cb 1.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 2b7z h MET 90 CO 0.01 0.22 -0.28 1.79 1.06 0.00 0.00 176.91 179.71 2b7z h THR 91 N 0.00 1.28 -0.04 2.22 1.35 -1.53 0.05 112.91 116.24 2b7z h THR 91 Ca -0.00 -1.40 -0.07 0.00 -0.55 0.00 0.00 66.41 64.39 2b7z h THR 91 Cb 0.50 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2b7z h THR 91 CO 0.03 0.46 -0.29 1.56 -0.25 0.00 0.00 175.52 177.03 2b7z h GLN 92 N 0.62 0.07 -0.62 4.72 4.20 -1.49 -1.79 115.11 120.82 2b7z h GLN 92 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2b7z h GLN 92 Cb 0.78 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2b7z h GLN 92 CO 0.06 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 179.02 2b7z n ILE 93 N -4.18 1.19 -2.92 2.54 -5.35 -1.13 -4.94 119.36 104.57 2b7z n ILE 93 Ca -0.02 -0.90 -0.18 0.00 -0.27 0.00 0.00 62.75 61.38 2b7z n ILE 93 Cb 0.35 0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.49 2b7z n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b7z n GLY 94 N 1.21 -0.28 3.74 3.28 0.00 -0.67 -5.00 105.19 107.47 2b7z n GLY 94 Ca 0.21 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2b7z n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b7z s THR 96 N -0.62 0.45 -0.05 0.00 -4.23 -1.26 -4.72 115.64 105.21 2b7z s THR 96 Ca 0.44 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 2b7z s THR 96 Cb -0.25 -1.29 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 2b7z s THR 96 CO 0.32 -0.79 0.27 -0.76 -0.54 0.00 0.00 174.62 173.12 2b7z s LEU 97 N -2.58 4.42 0.00 4.79 1.43 -1.26 -5.08 118.68 120.40 2b7z s LEU 97 Ca 0.03 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2b7z s LEU 97 Cb 0.02 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 2b7z s LEU 97 CO -0.05 0.34 -0.03 0.20 0.23 0.00 0.00 176.35 177.04 2b7z s ASN 98 N -1.19 0.33 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.96 2b7z s ASN 98 Ca 0.21 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2b7z s ASN 98 Cb -0.14 -0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 2b7z s ASN 98 CO 0.10 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.84