#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 3.83 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.25 2b7z s GLN 2 Ca 0.00 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.08 2b7z s GLN 2 Cb 0.00 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 30.98 2b7z s GLN 2 CO 0.00 0.35 -0.12 0.42 -0.55 0.00 0.00 175.29 175.39 2b7z s ILE 3 N 0.13 1.59 0.78 -2.34 1.01 -1.26 -5.13 121.20 115.99 2b7z s ILE 3 Ca 0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 2b7z s ILE 3 Cb -0.12 -1.58 0.06 0.00 0.01 0.00 0.00 42.46 40.83 2b7z s ILE 3 CO 0.01 0.32 1.13 0.42 0.00 0.00 0.00 174.94 176.82 2b7z s THR 4 N 1.45 2.76 -0.26 2.92 -4.23 -1.26 -5.01 115.64 112.01 2b7z s THR 4 Ca 0.02 0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.90 2b7z s THR 4 Cb -0.14 -3.19 0.60 0.00 1.34 0.00 0.00 72.50 71.11 2b7z s THR 4 CO -0.10 -0.32 1.57 0.18 -0.54 0.00 0.00 174.62 175.41 2b7z n LEU 5 N -3.25 4.72 0.09 4.79 4.77 -1.26 -4.53 117.00 122.33 2b7z n LEU 5 Ca 0.07 -3.27 0.11 0.00 -0.03 0.00 0.00 56.01 52.90 2b7z n LEU 5 Cb 0.59 -0.64 0.44 0.00 -2.33 0.00 0.00 43.42 41.48 2b7z n LEU 5 CO 0.57 0.85 0.83 0.79 -1.33 0.00 0.00 177.39 179.11 2b7z n TRP 6 N -0.53 0.60 -4.15 -1.77 7.02 -1.26 -4.71 117.44 112.63 2b7z n TRP 6 Ca 0.31 0.23 -0.10 0.00 -1.02 0.00 0.00 57.50 56.92 2b7z n TRP 6 Cb 1.10 -0.87 -0.10 0.00 -2.42 0.00 0.00 31.31 29.02 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 -3.21 0.93 0.27 -0.99 -0.21 -1.26 -5.12 119.66 110.06 2b7z s GLN 7 Ca 0.06 -1.44 -0.31 0.00 0.02 0.00 0.00 55.36 53.69 2b7z s GLN 7 Cb 0.10 0.21 -0.12 0.00 1.00 0.00 0.00 33.01 34.20 2b7z s GLN 7 CO 0.38 -0.25 1.65 0.54 -2.12 0.00 0.00 175.29 175.49 2b7z n ARG 8 N -0.10 2.75 -2.39 2.91 1.74 -1.26 -4.87 116.66 115.45 2b7z n ARG 8 Ca -0.06 0.98 -0.43 0.00 -0.77 0.00 0.00 57.85 57.58 2b7z n ARG 8 Cb 0.64 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 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 2.76 3.12 -3.23 5.56 -0.05 -1.26 -4.96 135.00 136.93 2b7z n PRO 9 Ca 0.11 -3.13 -0.35 0.00 -0.05 0.00 0.00 63.50 60.08 2b7z n PRO 9 Cb 0.36 -3.45 -0.06 0.00 -0.05 0.00 0.00 33.50 30.31 2b7z n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2b7z s LEU 10 N 3.72 4.27 0.03 1.53 1.43 -1.26 -0.70 118.68 127.70 2b7z s LEU 10 Ca 0.52 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2b7z s LEU 10 Cb 0.06 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2b7z s LEU 10 CO 0.04 0.00 -0.04 0.68 0.23 0.00 0.00 176.35 177.27 2b7z s VAL 11 N -1.61 0.20 0.02 -1.59 -7.23 0.19 -4.93 120.40 105.45 2b7z s VAL 11 Ca 0.44 -1.14 -0.22 0.00 -1.81 0.00 0.00 61.98 59.24 2b7z s VAL 11 Cb -0.14 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 2b7z s VAL 11 CO 0.20 -0.60 0.66 -0.89 -0.31 0.00 0.00 175.10 174.16 2b7z s THR 12 N -2.01 4.83 0.05 5.32 2.01 -1.26 -1.09 115.64 123.49 2b7z s THR 12 Ca -0.10 1.38 0.02 0.00 0.31 0.00 0.00 61.69 63.30 2b7z s THR 12 Cb -0.06 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2b7z s THR 12 CO -0.03 0.41 -0.07 0.27 -0.69 0.00 0.00 174.62 174.51 2b7z s ILE 13 N -0.19 0.54 -0.12 1.82 -5.25 0.37 -2.13 121.20 116.24 2b7z s ILE 13 Ca 0.34 -1.27 0.02 0.00 -0.99 0.00 0.00 60.65 58.75 2b7z s ILE 13 Cb -0.19 -0.84 0.00 0.00 2.95 0.00 0.00 42.46 44.38 2b7z s ILE 13 CO 0.19 -0.51 -0.21 -0.75 -1.79 0.00 0.00 174.94 171.88 2b7z s LYS 14 N -2.11 3.11 -0.14 0.37 2.20 -0.42 -0.73 119.74 122.01 2b7z s LYS 14 Ca -0.05 -0.83 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 2b7z s LYS 14 Cb -0.06 -2.44 0.05 0.00 -1.51 0.00 0.00 37.83 33.87 2b7z s LYS 14 CO -0.01 0.10 0.35 -1.50 -0.36 0.00 0.00 175.35 173.93 2b7z s ILE 15 N 0.56 -0.03 -1.72 5.43 2.07 -0.39 -0.58 121.20 126.55 2b7z s ILE 15 Ca -0.12 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2b7z s ILE 15 Cb -0.17 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2b7z s ILE 15 CO 0.04 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2b7z n GLY 16 N 4.03 -0.42 2.42 1.50 0.00 -1.26 -1.16 105.19 110.30 2b7z n GLY 16 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.97 0.51 3.60 -0.02 0.00 -1.26 -5.01 105.19 102.04 2b7z n GLY 17 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.31 2.15 -0.10 1.61 -0.21 -0.31 -5.13 119.66 117.37 2b7z s GLN 18 Ca 0.00 -1.39 -0.02 0.00 0.02 0.00 0.00 55.36 53.97 2b7z s GLN 18 Cb 0.00 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 2b7z s GLN 18 CO 0.00 0.39 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.03 2b7z s LEU 19 N -3.33 3.44 0.05 2.90 1.43 -1.26 -1.26 118.68 120.64 2b7z s LEU 19 Ca 0.29 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 2b7z s LEU 19 Cb -0.07 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 2b7z s LEU 19 CO 0.18 0.32 0.09 -0.13 0.23 0.00 0.00 176.35 177.04 2b7z s ARG 20 N -0.55 0.64 -0.16 1.70 1.81 0.09 -5.01 118.95 117.47 2b7z s ARG 20 Ca 0.09 -0.88 -0.06 0.00 -1.72 0.00 0.00 55.73 53.16 2b7z s ARG 20 Cb -0.12 0.25 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 2b7z s ARG 20 CO 0.02 -0.16 0.04 -2.00 -0.68 0.00 0.00 175.30 172.52 2b7z s GLU 21 N -3.08 3.79 0.10 3.54 2.12 -1.26 -0.48 118.70 123.42 2b7z s GLU 21 Ca -0.01 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2b7z s GLU 21 Cb 0.02 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2b7z s GLU 21 CO -0.07 0.35 -0.13 0.00 -0.54 0.00 0.00 175.26 174.87 2b7z s ALA 22 N 0.14 1.29 -0.27 6.30 0.00 -0.25 -4.51 121.76 124.46 2b7z s ALA 22 Ca 0.04 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 2b7z s ALA 22 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2b7z s ALA 22 CO 0.01 0.10 0.28 -1.17 0.00 0.00 0.00 175.76 174.99 2b7z s LEU 23 N -2.17 4.03 -0.55 0.00 2.96 -0.18 -0.63 118.68 122.14 2b7z s LEU 23 Ca 0.04 0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 2b7z s LEU 23 Cb -0.06 -2.28 -0.06 0.00 0.50 0.00 0.00 46.19 44.28 2b7z s LEU 23 CO 0.02 -0.11 2.27 -0.76 -1.32 0.00 0.00 176.35 176.44 2b7z s LEU 24 N 1.89 3.34 -0.49 -0.68 1.43 0.12 -0.88 118.68 123.42 2b7z s LEU 24 Ca 0.11 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2b7z s LEU 24 Cb -0.16 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.68 2b7z s LEU 24 CO 0.10 -2.82 0.25 -0.62 0.23 0.00 0.00 176.35 173.49 2b7z s ASP 25 N 11.05 4.84 0.59 2.29 -1.08 -0.63 -4.79 116.67 128.93 2b7z s ASP 25 Ca 0.89 -2.60 0.38 0.00 -0.52 0.00 0.00 52.55 50.70 2b7z s ASP 25 Cb -0.15 -1.73 1.83 0.00 -1.46 0.00 0.00 42.92 41.40 2b7z s ASP 25 CO 0.23 -0.36 2.14 0.71 0.52 0.00 0.00 175.17 178.41 2b7z h THR 26 N 5.84 0.00 -0.01 1.71 1.35 -1.91 -2.26 112.91 117.63 2b7z h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2b7z h THR 26 Cb 0.96 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2b7z h THR 26 CO 0.66 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.49 2b7z n GLY 27 N -0.50 -0.62 3.44 5.82 0.00 -1.26 -4.80 105.19 107.26 2b7z n GLY 27 Ca -0.01 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.19 3.00 0.22 4.61 0.00 -0.85 -4.99 121.76 121.57 2b7z s ALA 28 Ca 0.37 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2b7z s ALA 28 Cb 0.21 -1.74 0.22 0.00 0.00 0.00 0.00 23.12 21.80 2b7z s ALA 28 CO 0.40 -0.15 1.58 -0.44 0.00 0.00 0.00 175.76 177.15 2b7z h ASP 29 N 7.49 0.52 -1.66 0.00 3.32 -1.87 0.17 116.42 124.39 2b7z h ASP 29 Ca -0.36 -0.25 -0.59 0.00 0.02 0.00 0.00 57.03 55.85 2b7z h ASP 29 Cb 1.18 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 2b7z h ASP 29 CO 0.61 0.91 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.69 2b7z s ASP 30 N -6.88 4.24 -0.12 6.45 1.01 -1.26 -2.41 116.67 117.70 2b7z s ASP 30 Ca -0.07 -1.15 -0.03 0.00 0.71 0.00 0.00 52.55 52.01 2b7z s ASP 30 Cb 0.12 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2b7z s ASP 30 CO 0.82 -0.47 0.01 -0.89 0.21 0.00 0.00 175.17 174.85 2b7z s THR 31 N -2.62 4.39 -0.07 -1.27 2.01 -1.26 -3.30 115.64 113.52 2b7z s THR 31 Ca 0.38 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2b7z s THR 31 Cb 0.05 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.69 2b7z s THR 31 CO 0.21 0.56 0.23 -0.51 -0.69 0.00 0.00 174.62 174.42 2b7z s ILE 32 N -0.45 0.01 0.07 1.82 2.07 -0.59 -0.36 121.20 123.77 2b7z s ILE 32 Ca 0.08 -0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.31 2b7z s ILE 32 Cb -0.12 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2b7z s ILE 32 CO 0.02 -0.05 -0.23 -0.36 -1.91 0.00 0.00 174.94 172.40 2b7z s PHE 33 N -0.12 2.03 0.03 3.50 0.40 0.08 -1.04 117.98 122.87 2b7z s PHE 33 Ca -0.02 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 2b7z s PHE 33 Cb -0.02 -1.18 -0.10 0.00 0.51 0.00 0.00 43.02 42.23 2b7z s PHE 33 CO 0.01 0.17 1.29 1.49 0.70 0.00 0.00 175.22 178.87 2b7z h GLU 34 N 4.53 -0.62 -2.50 0.44 4.81 -1.80 -1.25 114.58 118.19 2b7z h GLU 34 Ca -0.46 0.04 -0.42 0.00 -0.13 0.00 0.00 59.36 58.39 2b7z h GLU 34 Cb 1.16 0.14 -0.37 0.00 0.63 0.00 0.00 28.75 30.32 2b7z h GLU 34 CO 0.42 -0.42 -0.70 -1.21 -0.73 0.00 0.00 179.01 176.37 2b7z s GLU 35 N -4.49 0.24 0.07 1.92 0.41 -1.26 -3.83 118.70 111.76 2b7z s GLU 35 Ca -0.10 -0.28 0.04 0.00 -0.41 0.00 0.00 54.97 54.22 2b7z s GLU 35 Cb 0.01 -0.97 -0.03 0.00 -1.78 0.00 0.00 34.13 31.37 2b7z s GLU 35 CO 0.30 -0.98 -0.12 0.96 -0.49 0.00 0.00 175.26 174.93 2b7z s ILE 36 N 2.23 0.98 -0.53 -1.63 -4.36 -1.26 -5.12 121.20 111.52 2b7z s ILE 36 Ca 0.09 -1.32 -0.19 0.00 -0.26 0.00 0.00 60.65 58.97 2b7z s ILE 36 Cb -0.15 -1.03 0.07 0.00 1.25 0.00 0.00 42.46 42.60 2b7z s ILE 36 CO -0.32 -0.31 0.62 -0.94 0.24 0.00 0.00 174.94 174.23 2b7z s SER 37 N -1.83 6.20 -0.00 4.36 1.04 -1.26 -5.04 113.70 117.17 2b7z s SER 37 Ca -0.02 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 2b7z s SER 37 Cb -0.09 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2b7z s SER 37 CO 0.02 -0.93 0.09 -0.76 0.98 0.00 0.00 173.24 172.64 2b7z s LEU 38 N 2.52 3.95 0.75 2.42 1.43 -1.26 -4.92 118.68 123.57 2b7z s LEU 38 Ca 0.13 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2b7z s LEU 38 Cb -0.21 -2.32 0.08 0.00 0.03 0.00 0.00 46.19 43.77 2b7z s LEU 38 CO 0.10 0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.86 2b7z s PRO 39 N -1.77 1.98 0.27 1.29 0.04 -1.26 -5.00 135.00 130.55 2b7z s PRO 39 Ca 0.23 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2b7z s PRO 39 Cb -0.12 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2b7z s PRO 39 CO 0.15 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2b7z n GLY 40 N -3.08 -2.20 3.81 0.56 0.00 -1.26 -4.95 105.19 98.08 2b7z n GLY 40 Ca 0.09 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 2b7z n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b7z s ARG 41 N -0.80 2.96 0.20 1.61 3.00 -1.26 -5.08 118.95 119.58 2b7z s ARG 41 Ca 0.00 1.02 -0.06 0.00 0.00 0.00 0.00 55.73 56.69 2b7z s ARG 41 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 34.95 32.94 2b7z s ARG 41 CO 0.00 -1.08 0.27 1.67 0.00 0.00 0.00 175.30 176.16 2b7z s TRP 42 N -2.92 0.74 -0.08 -0.53 1.48 -1.26 -4.74 118.94 111.63 2b7z s TRP 42 Ca 0.59 -1.04 0.03 0.00 -1.06 0.00 0.00 56.10 54.62 2b7z s TRP 42 Cb -0.15 -0.21 0.01 0.00 -1.16 0.00 0.00 33.47 31.96 2b7z s TRP 42 CO 0.51 -0.76 -0.16 0.15 -4.06 0.00 0.00 176.95 172.63 2b7z s LYS 43 N -4.07 2.20 0.41 3.25 1.02 -0.48 -4.87 119.74 117.20 2b7z s LYS 43 Ca 0.29 -0.58 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 2b7z s LYS 43 Cb 0.04 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.50 2b7z s LYS 43 CO 0.08 0.07 1.32 -2.30 -0.92 0.00 0.00 175.35 173.60 2b7z n PRO 44 N 3.75 2.06 -3.68 -1.68 -0.02 -1.26 -1.09 135.00 133.08 2b7z n PRO 44 Ca -0.21 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 2b7z n PRO 44 Cb 0.52 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 2b7z n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2b7z s LYS 45 N -2.20 0.76 -0.18 -0.52 2.20 -0.22 -4.85 119.74 114.74 2b7z s LYS 45 Ca 0.60 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 2b7z s LYS 45 Cb -0.50 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.19 2b7z s LYS 45 CO 0.59 -0.20 -0.17 0.42 -0.36 0.00 0.00 175.35 175.64 2b7z s ILE 46 N -0.89 1.86 0.20 5.43 1.01 -1.26 0.69 121.20 128.24 2b7z s ILE 46 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2b7z s ILE 46 Cb -0.03 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2b7z s ILE 46 CO 0.05 0.45 0.14 0.27 0.00 0.00 0.00 174.94 175.84 2b7z s ILE 47 N 1.36 4.33 -0.02 2.92 -4.36 -0.77 -4.92 121.20 119.74 2b7z s ILE 47 Ca 0.04 -1.29 0.06 0.00 -0.26 0.00 0.00 60.65 59.20 2b7z s ILE 47 Cb -0.14 -3.26 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 2b7z s ILE 47 CO -0.11 -0.22 -0.19 -0.83 0.24 0.00 0.00 174.94 173.83 2b7z s GLY 48 N -3.40 0.94 0.00 6.27 0.00 -1.26 -1.16 107.32 108.72 2b7z s GLY 48 Ca 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2b7z s GLY 48 CO 0.23 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.25 2b7z n GLY 49 N 2.61 4.39 3.69 0.20 0.00 -0.01 -5.00 105.19 111.07 2b7z n GLY 49 Ca -0.15 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2b7z n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b7z s ILE 50 N -1.66 3.72 0.00 -0.61 1.01 -1.26 -2.67 121.20 119.73 2b7z s ILE 50 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2b7z s ILE 50 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2b7z s ILE 50 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2b7z n GLY 51 N 3.66 1.27 0.00 6.18 0.00 -1.26 -5.00 105.19 110.05 2b7z n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 -0.46 3.44 -0.02 0.00 -1.09 -5.13 105.19 99.92 2b7z n GLY 52 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 2b7z n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2b7z s PHE 53 N -2.24 2.40 0.02 1.61 -0.12 -1.26 -0.83 117.98 117.55 2b7z s PHE 53 Ca 0.00 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 2b7z s PHE 53 Cb 0.00 -1.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.11 2b7z s PHE 53 CO 0.00 0.39 -0.05 0.96 -0.05 0.00 0.00 175.22 176.47 2b7z s ILE 54 N -1.20 0.31 -0.04 -4.49 -4.36 -0.31 -4.98 121.20 106.13 2b7z s ILE 54 Ca 0.17 -0.69 -0.23 0.00 -0.26 0.00 0.00 60.65 59.64 2b7z s ILE 54 Cb -0.10 -0.36 -0.04 0.00 1.25 0.00 0.00 42.46 43.21 2b7z s ILE 54 CO 0.08 -0.25 0.68 -0.75 0.24 0.00 0.00 174.94 174.94 2b7z s LYS 55 N -1.00 4.42 0.21 0.37 2.36 -1.26 -1.84 119.74 123.00 2b7z s LYS 55 Ca -0.08 0.86 0.00 0.00 -2.55 0.00 0.00 55.97 54.20 2b7z s LYS 55 Cb -0.07 -3.42 -0.05 0.00 -1.05 0.00 0.00 37.83 33.25 2b7z s LYS 55 CO -0.00 0.15 0.09 0.14 1.55 0.00 0.00 175.35 177.29 2b7z s VAL 56 N 0.49 0.31 -0.09 4.02 -7.23 0.22 -4.56 120.40 113.56 2b7z s VAL 56 Ca 0.36 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 2b7z s VAL 56 Cb -0.18 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 2b7z s VAL 56 CO 0.18 -0.10 0.23 -0.13 -0.31 0.00 0.00 175.10 174.97 2b7z s ARG 57 N -4.07 3.66 -0.28 4.82 0.52 -0.74 -1.05 118.95 121.81 2b7z s ARG 57 Ca 0.35 0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.57 2b7z s ARG 57 Cb 0.07 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.35 2b7z s ARG 57 CO 0.11 0.71 -0.00 -1.14 0.02 0.00 0.00 175.30 174.99 2b7z s GLN 58 N -0.91 2.79 -0.15 3.54 0.74 -0.25 -1.84 119.66 123.58 2b7z s GLN 58 Ca 0.17 -1.03 -0.04 0.00 0.05 0.00 0.00 55.36 54.51 2b7z s GLN 58 Cb -0.13 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 2b7z s GLN 58 CO 0.07 -0.48 -0.02 0.71 -0.55 0.00 0.00 175.29 175.01 2b7z s TYR 59 N 1.36 3.06 0.31 1.67 1.51 -0.82 -1.38 117.35 123.07 2b7z s TYR 59 Ca -0.01 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 2b7z s TYR 59 Cb -0.18 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2b7z s TYR 59 CO -0.01 0.02 0.32 -0.51 -1.11 0.00 0.00 175.55 174.26 2b7z s ASP 60 N 0.28 5.56 -1.34 2.29 1.01 -1.26 -0.83 116.67 122.37 2b7z s ASP 60 Ca -0.02 -0.34 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 2b7z s ASP 60 Cb -0.14 -1.17 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 2b7z s ASP 60 CO 0.02 -0.29 0.51 0.00 0.21 0.00 0.00 175.17 175.62 2b7z n GLN 61 N -1.40 -2.89 -3.68 8.23 6.02 -1.18 -4.89 117.38 117.59 2b7z n GLN 61 Ca -0.03 0.41 -0.38 0.00 -0.01 0.00 0.00 57.00 57.00 2b7z n GLN 61 Cb 0.59 -4.42 -0.12 0.00 1.02 0.00 0.00 30.24 27.31 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 -3.84 4.64 0.29 5.09 -1.09 -0.23 -4.80 121.20 121.24 2b7z s ILE 62 Ca 0.10 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 2b7z s ILE 62 Cb -0.04 -3.26 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 2b7z s ILE 62 CO 0.88 0.21 1.52 -2.84 -1.23 0.00 0.00 174.94 173.48 2b7z s PRO 63 N 1.65 4.18 -0.16 2.79 0.02 -1.26 -2.54 135.00 139.68 2b7z s PRO 63 Ca 0.06 2.46 -0.07 0.00 0.02 0.00 0.00 61.00 63.47 2b7z s PRO 63 Cb -0.16 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.38 2b7z s PRO 63 CO 0.06 -0.53 0.36 -1.50 -0.33 0.00 0.00 177.00 175.06 2b7z s ILE 64 N -0.15 -0.31 -0.43 2.83 2.07 0.18 -4.23 121.20 121.17 2b7z s ILE 64 Ca 0.60 0.17 -0.16 0.00 -1.41 0.00 0.00 60.65 59.85 2b7z s ILE 64 Cb -0.45 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 41.61 2b7z s ILE 64 CO 0.48 0.07 0.39 -0.70 -1.91 0.00 0.00 174.94 173.26 2b7z s GLU 65 N 1.99 3.03 -0.27 3.50 2.12 0.25 -1.71 118.70 127.61 2b7z s GLU 65 Ca -0.05 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.25 2b7z s GLU 65 Cb -0.11 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 2b7z s GLU 65 CO -0.11 -0.85 0.12 0.42 -0.54 0.00 0.00 175.26 174.30 2b7z s ILE 66 N 1.91 4.64 -1.67 -3.70 1.01 0.14 -1.30 121.20 122.23 2b7z s ILE 66 Ca 0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 2b7z s ILE 66 Cb -0.19 -3.23 0.14 0.00 0.01 0.00 0.00 42.46 39.19 2b7z s ILE 66 CO 0.11 0.25 0.70 0.00 0.00 0.00 0.00 174.94 175.99 2b7z n GLY 68 N -1.50 0.79 3.43 0.00 0.00 -1.26 -5.03 105.19 101.61 2b7z n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.96 2.90 -0.25 1.61 4.02 0.85 -5.10 115.29 116.37 2b7z s HIS 69 Ca 0.00 -0.47 -0.15 0.00 1.02 0.00 0.00 55.06 55.46 2b7z s HIS 69 Cb 0.00 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.58 29.64 2b7z s HIS 69 CO 0.00 -0.11 0.36 0.15 1.02 0.00 0.00 174.74 176.16 2b7z s LYS 70 N 0.30 4.06 0.22 1.40 1.02 -1.26 0.28 119.74 125.76 2b7z s LYS 70 Ca -0.07 0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.99 2b7z s LYS 70 Cb -0.15 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 2b7z s LYS 70 CO 0.04 -0.20 0.08 0.14 -0.92 0.00 0.00 175.35 174.50 2b7z s VAL 71 N 1.82 0.45 -0.02 3.17 -7.23 -0.69 -5.01 120.40 112.88 2b7z s VAL 71 Ca 0.15 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2b7z s VAL 71 Cb -0.15 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2b7z s VAL 71 CO 0.09 -0.13 -0.04 -0.51 -0.31 0.00 0.00 175.10 174.20 2b7z s ILE 72 N -3.83 0.41 0.01 -0.62 2.07 -1.26 -0.64 121.20 117.34 2b7z s ILE 72 Ca 0.34 -0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.42 2b7z s ILE 72 Cb 0.07 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.27 2b7z s ILE 72 CO 0.10 0.16 0.12 0.61 -1.91 0.00 0.00 174.94 174.02 2b7z n GLY 73 N 3.50 1.01 3.68 1.50 0.00 -1.05 -4.84 105.19 108.99 2b7z n GLY 73 Ca -0.20 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2b7z n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b7z s THR 74 N -2.39 4.61 -0.09 2.61 2.01 -1.26 -1.07 115.64 120.07 2b7z s THR 74 Ca 0.03 1.90 0.04 0.00 0.31 0.00 0.00 61.69 63.97 2b7z s THR 74 Cb -0.00 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2b7z s THR 74 CO 0.00 -0.02 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.00 2b7z s VAL 75 N 2.26 1.89 0.02 3.82 1.01 -0.01 -4.43 120.40 124.96 2b7z s VAL 75 Ca 0.50 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2b7z s VAL 75 Cb -0.20 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2b7z s VAL 75 CO 0.17 0.52 0.25 -0.76 0.00 0.00 0.00 175.10 175.29 2b7z s LEU 76 N 0.31 4.36 -0.16 3.92 1.43 0.51 -1.94 118.68 127.11 2b7z s LEU 76 Ca -0.16 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2b7z s LEU 76 Cb -0.17 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.33 2b7z s LEU 76 CO 0.07 0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 176.13 2b7z s VAL 77 N -1.37 1.09 0.21 -1.59 1.01 -0.76 -0.74 120.40 118.24 2b7z s VAL 77 Ca 0.30 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2b7z s VAL 77 Cb -0.13 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.08 2b7z s VAL 77 CO 0.19 0.17 1.01 -0.83 0.00 0.00 0.00 175.10 175.64 2b7z s GLY 78 N 1.65 0.15 -0.72 4.51 0.00 -0.47 -1.78 107.32 110.66 2b7z s GLY 78 Ca 0.01 -0.39 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 2b7z s GLY 78 CO -0.08 2.21 1.88 -1.55 0.00 0.00 0.00 173.10 175.56 2b7z n PRO 79 N -0.69 0.72 -4.42 2.90 -0.04 -1.26 -3.91 135.00 128.29 2b7z n PRO 79 Ca -0.03 -1.70 -0.32 0.00 -0.04 0.00 0.00 63.50 61.40 2b7z n PRO 79 Cb 0.59 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.72 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 10.12 3.76 -1.41 0.52 -1.32 -1.26 -5.00 115.64 121.05 2b7z s THR 80 Ca 0.69 -0.72 0.22 0.00 -1.21 0.00 0.00 61.69 60.67 2b7z s THR 80 Cb 0.06 -2.64 0.37 0.00 -1.51 0.00 0.00 72.50 68.78 2b7z s THR 80 CO 0.21 0.40 1.70 -2.65 -2.21 0.00 0.00 174.62 172.06 2b7z n PRO 81 N 1.55 0.29 -3.61 7.08 -0.02 -1.26 -4.54 135.00 134.48 2b7z n PRO 81 Ca -0.15 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.28 2b7z n PRO 81 Cb 0.53 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.59 -1.86 0.10 3.55 0.00 -1.26 -5.10 121.76 114.60 2b7z s ALA 82 Ca 0.20 1.82 -0.31 0.00 0.00 0.00 0.00 51.96 53.68 2b7z s ALA 82 Cb 0.14 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 2b7z s ALA 82 CO 0.33 -0.31 1.23 -0.80 0.00 0.00 0.00 175.76 176.22 2b7z s ASN 83 N -0.07 7.03 -0.07 0.00 0.01 -1.26 -4.76 114.94 115.82 2b7z s ASN 83 Ca -0.01 2.13 0.03 0.00 -0.71 0.00 0.00 52.86 54.30 2b7z s ASN 83 Cb -0.04 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2b7z s ASN 83 CO 0.00 -0.48 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.25 2b7z s VAL 84 N 0.78 1.47 -0.31 1.60 1.01 -0.21 -1.01 120.40 123.73 2b7z s VAL 84 Ca 0.58 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2b7z s VAL 84 Cb -0.32 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2b7z s VAL 84 CO 0.31 0.43 0.36 -0.63 0.00 0.00 0.00 175.10 175.56 2b7z s ILE 85 N 0.42 5.18 0.63 2.22 -1.09 -0.05 -1.54 121.20 126.97 2b7z s ILE 85 Ca -0.13 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2b7z s ILE 85 Cb -0.15 -3.75 0.08 0.00 -1.58 0.00 0.00 42.46 37.06 2b7z s ILE 85 CO 0.05 0.03 0.88 -0.83 -1.23 0.00 0.00 174.94 173.84 2b7z s GLY 86 N 1.70 1.79 0.50 6.18 0.00 -1.21 -1.61 107.32 114.67 2b7z s GLY 86 Ca 0.13 -1.62 0.17 0.00 0.00 0.00 0.00 44.72 43.40 2b7z s GLY 86 CO 0.11 -1.18 2.07 3.21 0.00 0.00 0.00 173.10 177.32 2b7z h ARG 87 N -0.20 0.13 -0.33 2.90 3.08 -0.74 -0.41 114.38 118.81 2b7z h ARG 87 Ca -0.38 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.76 2b7z h ARG 87 Cb 1.28 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2b7z h ARG 87 CO 0.45 0.08 0.30 -2.95 -1.07 0.00 0.00 179.97 176.78 2b7z h ASN 88 N 0.13 0.00 0.00 7.04 -1.07 -1.71 -2.07 115.58 117.90 2b7z h ASN 88 Ca 0.12 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.25 2b7z h ASN 88 Cb 0.33 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.53 2b7z h ASN 88 CO -0.02 0.00 -1.90 0.18 0.07 0.00 0.00 177.43 175.76 2b7z n LEU 89 N -4.01 0.22 -0.22 6.14 4.32 -0.60 -4.50 117.00 118.36 2b7z n LEU 89 Ca 0.05 -0.01 0.02 0.00 -0.02 0.00 0.00 56.01 56.06 2b7z n LEU 89 Cb 0.47 0.25 0.27 0.00 -1.62 0.00 0.00 43.42 42.79 2b7z n LEU 89 CO 0.31 0.36 1.24 0.24 -1.22 0.00 0.00 177.39 178.31 2b7z h MET 90 N 0.00 0.94 -0.25 3.23 2.86 -0.71 -1.14 114.93 119.86 2b7z h MET 90 Ca -0.36 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.16 2b7z h MET 90 Cb 1.79 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 2b7z h MET 90 CO 0.01 0.62 -0.13 1.79 1.06 0.00 0.00 176.91 180.26 2b7z h THR 91 N 0.97 1.22 -0.97 2.22 1.35 -1.63 -0.98 112.91 115.10 2b7z h THR 91 Ca 0.30 -0.97 0.04 0.00 -0.55 0.00 0.00 66.41 65.23 2b7z h THR 91 Cb -0.00 1.18 -0.06 0.00 -1.73 0.00 0.00 68.15 67.54 2b7z h THR 91 CO -0.08 0.31 0.63 1.56 -0.25 0.00 0.00 175.52 177.69 2b7z h GLN 92 N 0.39 1.18 -0.01 4.72 1.08 -1.43 -2.23 115.11 118.80 2b7z h GLN 92 Ca 0.07 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2b7z h GLN 92 Cb 0.47 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2b7z h GLN 92 CO 0.03 0.78 -0.31 0.44 -0.95 0.00 0.00 178.83 178.82 2b7z n ILE 93 N -4.48 0.00 -1.23 2.54 -5.35 -1.01 -4.96 119.36 104.88 2b7z n ILE 93 Ca 0.13 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2b7z n ILE 93 Cb 0.10 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.36 0.82 3.75 3.28 0.00 -0.45 -5.02 105.19 108.94 2b7z n GLY 94 Ca 0.12 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.39 1.16 0.02 0.00 -4.23 -1.26 -4.75 115.64 106.18 2b7z s THR 96 Ca 0.54 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2b7z s THR 96 Cb -0.38 -1.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 2b7z s THR 96 CO 0.43 -0.68 0.43 -0.76 -0.54 0.00 0.00 174.62 173.50 2b7z s LEU 97 N -2.99 4.47 -0.02 4.79 1.43 -1.26 -5.08 118.68 120.02 2b7z s LEU 97 Ca 0.14 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2b7z s LEU 97 Cb 0.01 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2b7z s LEU 97 CO 0.01 0.31 -0.08 0.20 0.23 0.00 0.00 176.35 177.01 2b7z s ASN 98 N -1.13 1.09 0.00 2.29 -0.87 -1.26 -5.28 114.94 109.78 2b7z s ASN 98 Ca 0.25 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.37 2b7z s ASN 98 Cb -0.17 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.79 2b7z s ASN 98 CO 0.14 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.96