#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpy s GLN 2 N 0.00 2.47 -0.25 0.54 0.74 -1.26 -5.09 119.66 116.81 2bpy s GLN 2 Ca 0.00 -1.31 -0.12 0.00 0.05 0.00 0.00 55.36 53.98 2bpy s GLN 2 Cb 0.00 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2bpy s GLN 2 CO 0.00 -0.72 0.25 0.42 -0.55 0.00 0.00 175.29 174.69 2bpy s ILE 3 N 1.32 5.29 0.58 -2.34 1.01 -1.26 -5.10 121.20 120.70 2bpy s ILE 3 Ca -0.01 0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 2bpy s ILE 3 Cb -0.20 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2bpy s ILE 3 CO 0.00 0.27 0.88 0.42 0.00 0.00 0.00 174.94 176.52 2bpy s THR 4 N 1.48 3.54 -0.26 2.92 -4.23 -1.26 -5.02 115.64 112.80 2bpy s THR 4 Ca 0.11 -0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2bpy s THR 4 Cb -0.15 -3.40 0.61 0.00 1.34 0.00 0.00 72.50 70.91 2bpy s THR 4 CO 0.08 -0.40 1.59 0.18 -0.54 0.00 0.00 174.62 175.53 2bpy n LEU 5 N -2.55 4.82 -0.21 4.79 4.32 -1.26 -4.53 117.00 122.38 2bpy n LEU 5 Ca 0.05 -3.26 -0.05 0.00 -0.02 0.00 0.00 56.01 52.72 2bpy n LEU 5 Cb 0.58 -0.64 0.11 0.00 -1.62 0.00 0.00 43.42 41.85 2bpy n LEU 5 CO 0.52 0.85 0.98 -0.50 -1.22 0.00 0.00 177.39 178.02 2bpy h TRP 6 N 1.99 1.06 -1.55 -1.77 -0.00 -2.05 -3.43 115.95 110.19 2bpy h TRP 6 Ca 0.15 -0.10 -0.62 0.00 -0.00 0.00 0.00 58.89 58.32 2bpy h TRP 6 Cb 1.85 -0.31 -0.12 0.00 -0.00 0.00 0.00 29.16 30.58 2bpy h TRP 6 CO 0.93 0.85 -0.57 -0.65 -0.00 0.00 0.00 178.44 179.00 2bpy s GLN 7 N -5.31 2.03 0.30 0.49 1.11 -1.26 -5.10 119.66 111.91 2bpy s GLN 7 Ca -0.11 -2.08 -0.29 0.00 0.01 0.00 0.00 55.36 52.89 2bpy s GLN 7 Cb 0.15 -1.71 -0.11 0.00 -1.01 0.00 0.00 33.01 30.34 2bpy s GLN 7 CO 0.83 -0.09 1.46 1.03 0.01 0.00 0.00 175.29 178.53 2bpy s ARG 8 N -3.76 4.22 -1.25 2.91 0.52 -1.26 -4.89 118.95 115.44 2bpy s ARG 8 Ca 0.34 2.41 -0.19 0.00 -0.52 0.00 0.00 55.73 57.77 2bpy s ARG 8 Cb 0.08 -3.05 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 2bpy s ARG 8 CO 0.18 -0.45 1.92 -0.35 0.02 0.00 0.00 175.30 176.62 2bpy n PRO 9 N 1.58 2.56 -3.36 3.54 -0.04 -1.26 -4.95 135.00 133.07 2bpy n PRO 9 Ca 0.04 -2.77 -0.37 0.00 -0.04 0.00 0.00 63.50 60.37 2bpy n PRO 9 Cb 0.40 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 2bpy n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpy s LEU 10 N 4.83 4.43 0.09 1.53 2.01 -1.26 -1.32 118.68 128.99 2bpy s LEU 10 Ca 0.56 1.11 -0.01 0.00 0.01 0.00 0.00 54.13 55.80 2bpy s LEU 10 Cb 0.07 -2.99 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 2bpy s LEU 10 CO 0.06 0.21 0.01 0.68 1.01 0.00 0.00 176.35 178.32 2bpy s VAL 11 N -1.26 0.18 -0.11 -1.59 -7.23 -0.20 -4.95 120.40 105.24 2bpy s VAL 11 Ca 0.32 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 2bpy s VAL 11 Cb -0.17 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2bpy s VAL 11 CO 0.18 -0.76 0.45 -0.89 -0.31 0.00 0.00 175.10 173.76 2bpy s THR 12 N -3.97 5.19 0.20 5.32 2.01 -1.26 -1.17 115.64 121.95 2bpy s THR 12 Ca 0.15 0.89 0.10 0.00 0.31 0.00 0.00 61.69 63.14 2bpy s THR 12 Cb 0.08 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2bpy s THR 12 CO -0.05 0.35 -0.21 0.27 -0.69 0.00 0.00 174.62 174.29 2bpy s ILE 13 N 0.48 2.18 -0.11 1.82 -4.36 0.41 -3.10 121.20 118.51 2bpy s ILE 13 Ca 0.24 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2bpy s ILE 13 Cb -0.15 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.52 2bpy s ILE 13 CO 0.10 -0.23 -0.17 -0.75 0.24 0.00 0.00 174.94 174.13 2bpy s LYS 14 N -2.84 2.39 -0.11 0.37 2.20 -0.30 -0.71 119.74 120.74 2bpy s LYS 14 Ca 0.20 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 2bpy s LYS 14 Cb -0.07 -2.00 0.05 0.00 -1.51 0.00 0.00 37.83 34.31 2bpy s LYS 14 CO 0.09 -0.05 0.23 -1.50 -0.36 0.00 0.00 175.35 173.77 2bpy s ILE 15 N 0.94 -0.19 -1.73 5.43 2.07 -0.40 -1.38 121.20 125.95 2bpy s ILE 15 Ca -0.07 0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 59.39 2bpy s ILE 15 Cb -0.15 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.06 2bpy s ILE 15 CO -0.02 0.09 0.05 0.61 -1.91 0.00 0.00 174.94 173.77 2bpy n GLY 16 N 4.73 -0.50 1.15 1.50 0.00 -1.26 -1.83 105.19 108.98 2bpy n GLY 16 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2bpy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpy n GLY 17 N -1.05 2.70 3.77 -0.02 0.00 -1.26 -5.03 105.19 104.31 2bpy n GLY 17 Ca -0.23 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2bpy n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpy s GLN 18 N 0.00 4.51 -0.18 1.61 -0.21 -0.76 -5.05 119.66 119.57 2bpy s GLN 18 Ca 0.00 1.47 -0.09 0.00 0.02 0.00 0.00 55.36 56.76 2bpy s GLN 18 Cb 0.00 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 2bpy s GLN 18 CO 0.00 0.18 0.13 -0.51 -2.12 0.00 0.00 175.29 172.96 2bpy s LEU 19 N -2.03 4.20 0.10 2.90 1.43 -1.26 -1.28 118.68 122.74 2bpy s LEU 19 Ca 0.50 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2bpy s LEU 19 Cb -0.22 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2bpy s LEU 19 CO 0.28 0.22 -0.04 -0.54 0.23 0.00 0.00 176.35 176.51 2bpy s LYS 20 N 0.11 0.81 -0.13 1.70 1.02 0.11 -4.98 119.74 118.38 2bpy s LYS 20 Ca 0.09 -1.33 -0.09 0.00 0.02 0.00 0.00 55.97 54.65 2bpy s LYS 20 Cb -0.11 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2bpy s LYS 20 CO -0.01 -0.08 0.18 -1.21 -0.92 0.00 0.00 175.35 173.31 2bpy s GLU 21 N -3.89 3.76 0.01 1.68 2.02 -1.26 -0.44 118.70 120.59 2bpy s GLU 21 Ca 0.13 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 54.96 2bpy s GLU 21 Cb 0.06 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.02 2bpy s GLU 21 CO -0.05 0.59 0.17 0.00 0.02 0.00 0.00 175.26 176.00 2bpy s ALA 22 N -0.53 -0.36 -0.11 5.21 0.00 -0.32 -4.45 121.76 121.20 2bpy s ALA 22 Ca 0.14 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2bpy s ALA 22 Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2bpy s ALA 22 CO 0.03 -0.27 0.57 -1.17 0.00 0.00 0.00 175.76 174.92 2bpy s LEU 23 N -1.66 4.27 -0.65 0.00 0.20 -0.20 -1.03 118.68 119.61 2bpy s LEU 23 Ca -0.11 0.93 -0.26 0.00 0.69 0.00 0.00 54.13 55.38 2bpy s LEU 23 Cb -0.05 -2.84 0.04 0.00 -0.43 0.00 0.00 46.19 42.91 2bpy s LEU 23 CO -0.00 -0.08 1.13 -0.76 -0.29 0.00 0.00 176.35 176.35 2bpy s LEU 24 N 0.88 3.67 -0.37 -0.68 1.43 -0.44 -0.64 118.68 122.54 2bpy s LEU 24 Ca 0.30 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2bpy s LEU 24 Cb -0.16 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.43 2bpy s LEU 24 CO 0.13 -1.55 0.14 -0.62 0.23 0.00 0.00 176.35 174.67 2bpy s ASP 25 N 3.37 5.16 0.49 2.29 -1.08 -0.56 -4.81 116.67 121.52 2bpy s ASP 25 Ca 0.33 -1.76 0.32 0.00 -0.52 0.00 0.00 52.55 50.92 2bpy s ASP 25 Cb -0.11 -1.80 1.28 0.00 -1.46 0.00 0.00 42.92 40.83 2bpy s ASP 25 CO 0.17 -0.45 1.92 0.71 0.52 0.00 0.00 175.17 178.05 2bpy h THR 26 N 6.38 0.00 0.00 1.71 1.35 -1.94 -2.71 112.91 117.70 2bpy h THR 26 Ca -0.16 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2bpy h THR 26 Cb 1.05 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2bpy h THR 26 CO 0.64 0.00 -0.19 1.23 -0.25 0.00 0.00 175.52 176.95 2bpy h GLY 27 N 2.13 0.00 -5.95 5.82 0.00 -1.95 -3.45 103.07 99.68 2bpy h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2bpy h GLY 27 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.62 2bpy s ALA 28 N -3.16 3.53 0.13 3.60 0.00 -1.02 -4.96 121.76 119.88 2bpy s ALA 28 Ca 0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 2bpy s ALA 28 Cb 0.11 -2.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 2bpy s ALA 28 CO 0.65 -0.48 1.35 -0.44 0.00 0.00 0.00 175.76 176.84 2bpy h ASP 29 N 7.40 0.78 -1.68 0.00 3.32 -1.87 0.18 116.42 124.56 2bpy h ASP 29 Ca -0.33 -0.51 -0.53 0.00 0.02 0.00 0.00 57.03 55.68 2bpy h ASP 29 Cb 1.15 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2bpy h ASP 29 CO 0.77 1.29 -0.47 -1.81 -1.72 0.00 0.00 179.24 177.30 2bpy s ASP 30 N -7.07 4.75 -0.23 6.45 1.01 -1.26 -2.84 116.67 117.49 2bpy s ASP 30 Ca -0.09 -0.84 -0.08 0.00 0.71 0.00 0.00 52.55 52.25 2bpy s ASP 30 Cb 0.09 -0.62 -0.03 0.00 1.01 0.00 0.00 42.92 43.37 2bpy s ASP 30 CO 0.88 -0.49 0.08 -0.89 0.21 0.00 0.00 175.17 174.96 2bpy s THR 31 N -2.49 4.55 -0.09 -1.27 2.01 -1.26 -3.10 115.64 113.99 2bpy s THR 31 Ca 0.42 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2bpy s THR 31 Cb -0.01 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2bpy s THR 31 CO 0.24 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 2bpy s VAL 32 N 1.21 1.52 0.19 3.82 1.01 -0.59 -0.99 120.40 126.56 2bpy s VAL 32 Ca 0.05 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2bpy s VAL 32 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2bpy s VAL 32 CO 0.04 0.44 -0.20 -0.76 0.00 0.00 0.00 175.10 174.62 2bpy s LEU 33 N 0.64 2.46 0.66 3.92 1.02 0.94 -0.43 118.68 127.89 2bpy s LEU 33 Ca -0.14 -0.89 -0.16 0.00 0.02 0.00 0.00 54.13 52.96 2bpy s LEU 33 Cb -0.16 -0.95 -0.00 0.00 0.02 0.00 0.00 46.19 45.09 2bpy s LEU 33 CO 0.04 0.01 1.17 -1.61 0.02 0.00 0.00 176.35 175.99 2bpy s GLU 34 N -2.86 2.66 -0.15 1.70 2.02 -1.26 -1.45 118.70 119.35 2bpy s GLU 34 Ca 0.19 1.67 -0.42 0.00 0.02 0.00 0.00 54.97 56.43 2bpy s GLU 34 Cb -0.06 -1.91 -0.20 0.00 0.10 0.00 0.00 34.13 32.06 2bpy s GLU 34 CO 0.08 -1.41 1.22 0.39 0.02 0.00 0.00 175.26 175.56 2bpy n GLU 35 N -2.19 0.00 -3.62 1.61 -0.58 -1.14 -4.61 120.64 110.11 2bpy n GLU 35 Ca 0.12 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.80 2bpy n GLU 35 Cb 0.51 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.87 2bpy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bpy s MET 36 N 0.90 1.06 -0.19 3.49 0.23 -1.26 -5.03 119.30 118.51 2bpy s MET 36 Ca 0.94 -0.50 -0.12 0.00 -1.03 0.00 0.00 55.69 54.98 2bpy s MET 36 Cb -1.33 0.42 -0.05 0.00 -1.53 0.00 0.00 34.83 32.34 2bpy s MET 36 CO 0.64 -0.48 0.22 -1.54 -2.03 0.00 0.00 175.02 171.83 2bpy s SER 37 N -2.72 6.31 0.02 -1.18 1.04 -1.26 -5.03 113.70 110.88 2bpy s SER 37 Ca 0.08 0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.93 2bpy s SER 37 Cb -0.01 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 2bpy s SER 37 CO -0.04 0.12 -0.19 -0.76 0.98 0.00 0.00 173.24 173.35 2bpy s LEU 38 N 0.52 2.12 0.64 2.42 1.43 -1.26 -5.05 118.68 119.51 2bpy s LEU 38 Ca 0.12 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 2bpy s LEU 38 Cb -0.12 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2bpy s LEU 38 CO 0.02 0.17 1.07 -2.16 0.23 0.00 0.00 176.35 175.67 2bpy s PRO 39 N -0.90 3.04 0.01 1.29 0.04 -1.26 -4.92 135.00 132.30 2bpy s PRO 39 Ca 0.06 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2bpy s PRO 39 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2bpy s PRO 39 CO 0.01 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2bpy n GLY 40 N -1.12 -3.02 3.92 0.56 0.00 -1.26 -5.00 105.19 99.27 2bpy n GLY 40 Ca 0.09 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 2bpy n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpy s ARG 41 N -0.50 3.54 0.30 1.61 1.81 -1.26 -5.11 118.95 119.34 2bpy s ARG 41 Ca 0.00 -0.26 0.05 0.00 -1.72 0.00 0.00 55.73 53.80 2bpy s ARG 41 Cb 0.00 -2.77 -0.06 0.00 -0.45 0.00 0.00 34.95 31.67 2bpy s ARG 41 CO 0.00 0.32 0.01 1.67 -0.68 0.00 0.00 175.30 176.62 2bpy s TRP 42 N -1.98 1.94 -0.01 -0.53 1.48 -1.26 -4.58 118.94 114.00 2bpy s TRP 42 Ca 0.40 -0.84 0.03 0.00 -1.06 0.00 0.00 56.10 54.63 2bpy s TRP 42 Cb -0.11 -1.20 -0.01 0.00 -1.16 0.00 0.00 33.47 30.99 2bpy s TRP 42 CO 0.30 0.12 -0.11 0.21 -4.06 0.00 0.00 176.95 173.42 2bpy s LYS 43 N -3.82 0.88 0.37 3.25 2.47 -0.83 -4.91 119.74 117.15 2bpy s LYS 43 Ca 0.33 -0.39 -0.26 0.00 -1.56 0.00 0.00 55.97 54.09 2bpy s LYS 43 Cb 0.07 -0.85 -0.09 0.00 -1.46 0.00 0.00 37.83 35.50 2bpy s LYS 43 CO 0.13 0.23 1.09 -2.14 0.16 0.00 0.00 175.35 174.83 2bpy s PRO 44 N -0.26 4.25 -0.01 4.03 0.02 -1.26 -0.00 135.00 141.77 2bpy s PRO 44 Ca 0.04 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.55 2bpy s PRO 44 Cb -0.04 -2.74 0.03 0.00 0.02 0.00 0.00 34.50 31.77 2bpy s PRO 44 CO -0.00 -0.10 0.39 0.21 -0.33 0.00 0.00 177.00 177.17 2bpy s LYS 45 N -2.17 0.78 -0.17 5.54 2.20 -0.63 -4.88 119.74 120.41 2bpy s LYS 45 Ca 0.54 -0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 2bpy s LYS 45 Cb -0.27 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2bpy s LYS 45 CO 0.34 -0.23 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.34 2bpy s MET 46 N -1.53 3.29 0.04 4.03 -1.94 -1.26 -0.31 119.30 121.62 2bpy s MET 46 Ca -0.12 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.25 2bpy s MET 46 Cb -0.03 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 2bpy s MET 46 CO 0.04 -0.00 -0.25 0.96 -0.01 0.00 0.00 175.02 175.76 2bpy s ILE 47 N 0.89 2.02 0.32 2.53 -4.36 -0.54 -4.95 121.20 117.12 2bpy s ILE 47 Ca -0.03 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 59.06 2bpy s ILE 47 Cb -0.15 -1.73 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 2bpy s ILE 47 CO -0.01 0.33 0.07 -0.83 0.24 0.00 0.00 174.94 174.75 2bpy s GLY 48 N -1.21 2.07 0.00 6.27 0.00 -1.26 -0.85 107.32 112.34 2bpy s GLY 48 Ca 0.11 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.91 2bpy s GLY 48 CO 0.02 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.95 2bpy n GLY 49 N -0.67 1.19 3.73 0.20 0.00 -0.68 -4.98 105.19 103.97 2bpy n GLY 49 Ca -0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2bpy n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bpy s ILE 50 N -1.40 3.55 0.00 -0.61 -5.25 -1.26 -1.94 121.20 114.29 2bpy s ILE 50 Ca 0.00 1.25 0.00 0.00 -0.99 0.00 0.00 60.65 60.91 2bpy s ILE 50 Cb 0.00 -3.80 0.00 0.00 2.95 0.00 0.00 42.46 41.61 2bpy s ILE 50 CO 0.00 0.17 0.00 0.61 -1.79 0.00 0.00 174.94 173.93 2bpy n GLY 51 N 2.47 1.18 0.00 6.27 0.00 -1.26 -4.96 105.19 108.90 2bpy n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2bpy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpy n GLY 52 N -1.91 0.17 3.66 -0.02 0.00 -0.82 -5.06 105.19 101.21 2bpy n GLY 52 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 2bpy n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpy s PHE 53 N 0.00 2.92 0.09 1.61 0.40 -1.26 -1.69 117.98 120.04 2bpy s PHE 53 Ca 0.00 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 2bpy s PHE 53 Cb 0.00 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 2bpy s PHE 53 CO 0.00 0.48 -0.12 0.96 0.70 0.00 0.00 175.22 177.23 2bpy s ILE 54 N -1.37 1.06 -0.09 0.64 -4.36 -0.03 -4.96 121.20 112.08 2bpy s ILE 54 Ca 0.25 -1.51 -0.19 0.00 -0.26 0.00 0.00 60.65 58.95 2bpy s ILE 54 Cb -0.11 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 2bpy s ILE 54 CO 0.18 -0.40 0.51 -0.75 0.24 0.00 0.00 174.94 174.72 2bpy s LYS 55 N -2.32 4.33 0.23 0.37 2.36 -1.26 -1.47 119.74 121.99 2bpy s LYS 55 Ca 0.03 0.53 0.04 0.00 -2.55 0.00 0.00 55.97 54.01 2bpy s LYS 55 Cb -0.06 -3.42 -0.05 0.00 -1.05 0.00 0.00 37.83 33.25 2bpy s LYS 55 CO 0.02 0.19 -0.00 0.14 1.55 0.00 0.00 175.35 177.25 2bpy s VAL 56 N 0.48 1.04 -0.22 4.02 -7.23 0.57 -4.47 120.40 114.59 2bpy s VAL 56 Ca 0.28 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2bpy s VAL 56 Cb -0.16 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2bpy s VAL 56 CO 0.12 -0.31 0.01 -0.13 -0.31 0.00 0.00 175.10 174.48 2bpy s ARG 57 N -3.86 3.56 -0.35 4.82 0.52 -0.03 -1.60 118.95 122.01 2bpy s ARG 57 Ca 0.29 -0.54 -0.21 0.00 -0.52 0.00 0.00 55.73 54.75 2bpy s ARG 57 Cb 0.06 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2bpy s ARG 57 CO 0.09 -0.12 0.65 -1.14 0.02 0.00 0.00 175.30 174.81 2bpy s GLN 58 N 1.34 3.71 -0.20 3.54 0.74 1.00 -1.33 119.66 128.46 2bpy s GLN 58 Ca 0.04 0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.52 2bpy s GLN 58 Cb -0.15 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.14 2bpy s GLN 58 CO 0.01 -0.73 -0.01 0.71 -0.55 0.00 0.00 175.29 174.72 2bpy s TYR 59 N 2.74 3.02 0.29 1.67 2.02 -0.45 -1.97 117.35 124.68 2bpy s TYR 59 Ca 0.25 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2bpy s TYR 59 Cb -0.14 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 2bpy s TYR 59 CO 0.15 -0.26 0.51 -0.51 -1.57 0.00 0.00 175.55 173.87 2bpy s ASP 60 N 0.99 6.37 -1.11 2.29 1.01 -1.26 -0.83 116.67 124.13 2bpy s ASP 60 Ca 0.01 0.53 -0.23 0.00 0.71 0.00 0.00 52.55 53.58 2bpy s ASP 60 Cb -0.14 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.73 2bpy s ASP 60 CO 0.01 -0.19 0.73 0.00 0.21 0.00 0.00 175.17 175.94 2bpy n GLN 61 N -1.16 -0.90 -4.13 8.23 6.02 -1.09 -4.89 117.38 119.45 2bpy n GLN 61 Ca -0.04 0.40 -0.35 0.00 -0.01 0.00 0.00 57.00 57.00 2bpy n GLN 61 Cb 0.55 -3.43 -0.08 0.00 1.02 0.00 0.00 30.24 28.30 2bpy n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpy s ILE 62 N -3.41 4.83 -0.15 5.09 -1.09 0.64 -4.77 121.20 122.33 2bpy s ILE 62 Ca 0.41 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.52 2bpy s ILE 62 Cb -0.18 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2bpy s ILE 62 CO 0.90 0.53 0.38 -0.22 -1.23 0.00 0.00 174.94 175.29 2bpy s LEU 63 N -1.21 4.24 0.02 2.97 1.98 -1.26 -1.33 118.68 124.09 2bpy s LEU 63 Ca 0.17 0.62 0.04 0.00 -2.89 0.00 0.00 54.13 52.08 2bpy s LEU 63 Cb -0.12 -2.51 -0.02 0.00 0.66 0.00 0.00 46.19 44.20 2bpy s LEU 63 CO 0.07 0.04 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.80 2bpy s ILE 64 N 0.64 1.06 -0.32 6.68 1.01 -0.07 -4.59 121.20 125.61 2bpy s ILE 64 Ca 0.20 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2bpy s ILE 64 Cb -0.14 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2bpy s ILE 64 CO 0.07 0.09 0.09 -0.70 0.00 0.00 0.00 174.94 174.49 2bpy s GLU 65 N -0.85 2.73 -0.44 2.79 2.12 -0.48 -1.05 118.70 123.52 2bpy s GLU 65 Ca 0.03 -1.10 -0.10 0.00 0.36 0.00 0.00 54.97 54.16 2bpy s GLU 65 Cb -0.07 -3.41 0.09 0.00 0.26 0.00 0.00 34.13 31.00 2bpy s GLU 65 CO 0.01 -0.60 0.30 0.42 -0.54 0.00 0.00 175.26 174.85 2bpy s ILE 66 N 1.42 4.35 -1.27 -3.70 1.01 0.24 -1.15 121.20 122.10 2bpy s ILE 66 Ca -0.01 -1.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.17 2bpy s ILE 66 Cb -0.19 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2bpy s ILE 66 CO 0.02 -0.59 0.85 0.00 0.00 0.00 0.00 174.94 175.22 2bpy n GLY 68 N -1.41 2.88 3.70 0.00 0.00 -1.26 -4.98 105.19 104.11 2bpy n GLY 68 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2bpy n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpy s HIS 69 N -1.00 3.55 0.30 1.61 4.02 -0.92 -5.04 115.29 117.81 2bpy s HIS 69 Ca 0.00 1.47 -0.20 0.00 1.02 0.00 0.00 55.06 57.35 2bpy s HIS 69 Cb 0.00 -3.04 -0.09 0.00 -1.02 0.00 0.00 32.58 28.43 2bpy s HIS 69 CO 0.00 -0.09 0.81 0.15 1.02 0.00 0.00 174.74 176.63 2bpy s LYS 70 N 1.45 4.26 -0.08 1.40 1.02 -1.26 -0.59 119.74 125.94 2bpy s LYS 70 Ca 0.45 0.96 -0.14 0.00 0.02 0.00 0.00 55.97 57.26 2bpy s LYS 70 Cb -0.19 -2.64 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2bpy s LYS 70 CO 0.20 0.24 0.34 0.00 -0.92 0.00 0.00 175.35 175.22 2bpy s ALA 71 N -1.76 -0.86 -0.00 5.17 0.00 -0.21 -4.82 121.76 119.28 2bpy s ALA 71 Ca 0.50 0.72 0.08 0.00 0.00 0.00 0.00 51.96 53.26 2bpy s ALA 71 Cb -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2bpy s ALA 71 CO 0.19 -0.21 -0.25 0.42 0.00 0.00 0.00 175.76 175.91 2bpy s ILE 72 N -0.49 2.17 -1.36 0.00 -1.09 -1.26 -0.90 121.20 118.27 2bpy s ILE 72 Ca -0.06 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.20 2bpy s ILE 72 Cb -0.04 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2bpy s ILE 72 CO 0.02 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 2bpy n GLY 73 N 2.24 -1.54 3.73 6.18 0.00 -0.45 -4.91 105.19 110.45 2bpy n GLY 73 Ca -0.16 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 2bpy n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpy s THR 74 N -2.18 4.25 -0.06 2.61 2.01 -1.26 -0.26 115.64 120.75 2bpy s THR 74 Ca 0.00 1.93 0.03 0.00 0.31 0.00 0.00 61.69 63.96 2bpy s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2bpy s THR 74 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 2bpy s VAL 75 N -0.20 1.32 -0.15 3.82 1.01 -0.01 -4.51 120.40 121.67 2bpy s VAL 75 Ca 0.47 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2bpy s VAL 75 Cb -0.26 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2bpy s VAL 75 CO 0.32 0.39 0.06 -0.76 0.00 0.00 0.00 175.10 175.11 2bpy s LEU 76 N 0.47 3.82 -0.15 3.92 1.43 -0.17 -1.34 118.68 126.67 2bpy s LEU 76 Ca -0.13 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2bpy s LEU 76 Cb -0.15 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2bpy s LEU 76 CO 0.04 0.24 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 2bpy s VAL 77 N -0.05 2.54 0.00 -1.59 1.01 -0.44 -0.04 120.40 121.83 2bpy s VAL 77 Ca 0.06 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2bpy s VAL 77 Cb -0.12 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2bpy s VAL 77 CO 0.01 0.52 0.02 0.61 0.00 0.00 0.00 175.10 176.26 2bpy n GLY 78 N 4.04 0.83 2.48 4.51 0.00 -0.53 -0.85 105.19 115.66 2bpy n GLY 78 Ca -0.19 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 2bpy n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpy n PRO 79 N -0.01 2.73 -3.37 1.61 -0.04 -1.26 -2.87 135.00 131.78 2bpy n PRO 79 Ca 0.00 -1.74 -0.35 0.00 -0.04 0.00 0.00 63.50 61.37 2bpy n PRO 79 Cb 0.01 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 30.83 2bpy n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpy s THR 80 N 2.85 4.87 -0.05 0.52 -1.32 -1.26 -4.99 115.64 116.27 2bpy s THR 80 Ca 0.52 0.81 0.31 0.00 -1.21 0.00 0.00 61.69 62.12 2bpy s THR 80 Cb 0.14 -3.73 0.37 0.00 -1.51 0.00 0.00 72.50 67.76 2bpy s THR 80 CO -0.04 0.26 1.91 1.55 -2.21 0.00 0.00 174.62 176.08 2bpy h PRO 81 N 3.60 0.00 -3.28 7.08 0.13 -1.99 -3.44 132.00 134.11 2bpy h PRO 81 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2bpy h PRO 81 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2bpy h PRO 81 CO 0.66 0.00 -0.33 0.54 -0.23 0.00 0.00 178.00 178.64 2bpy s VAL 82 N -3.56 0.08 -0.00 1.56 0.11 -1.26 -5.10 120.40 112.22 2bpy s VAL 82 Ca 0.02 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 2bpy s VAL 82 Cb 0.09 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2bpy s VAL 82 CO 0.54 -0.35 1.08 0.20 -3.33 0.00 0.00 175.10 173.24 2bpy s ASN 83 N -1.64 7.21 -0.04 3.54 0.01 -1.26 -4.71 114.94 118.05 2bpy s ASN 83 Ca -0.10 1.78 0.05 0.00 -0.71 0.00 0.00 52.86 53.87 2bpy s ASN 83 Cb -0.04 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 2bpy s ASN 83 CO 0.01 -0.40 -0.18 0.27 -1.51 0.00 0.00 177.10 175.28 2bpy s ILE 84 N 1.35 1.53 -0.36 0.60 -5.25 0.43 -1.03 121.20 118.47 2bpy s ILE 84 Ca 0.54 -0.77 -0.10 0.00 -0.99 0.00 0.00 60.65 59.33 2bpy s ILE 84 Cb -0.24 -1.31 0.02 0.00 2.95 0.00 0.00 42.46 43.88 2bpy s ILE 84 CO 0.26 0.44 0.18 -0.63 -1.79 0.00 0.00 174.94 173.40 2bpy s ILE 85 N -0.01 4.48 0.54 8.37 -1.09 0.19 -1.54 121.20 132.15 2bpy s ILE 85 Ca -0.03 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 2bpy s ILE 85 Cb -0.12 -3.46 0.11 0.00 -1.58 0.00 0.00 42.46 37.42 2bpy s ILE 85 CO 0.02 -0.16 0.74 0.61 -1.23 0.00 0.00 174.94 174.93 2bpy n GLY 86 N 4.97 0.45 0.37 6.18 0.00 -1.18 -1.50 105.19 114.49 2bpy n GLY 86 Ca -0.12 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.06 2bpy n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bpy h ARG 87 N 0.00 0.53 -0.57 1.61 3.08 -1.01 -1.03 114.38 116.98 2bpy h ARG 87 Ca -0.25 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.86 2bpy h ARG 87 Cb 0.87 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2bpy h ARG 87 CO 0.25 0.35 0.38 -2.95 -1.07 0.00 0.00 179.97 176.93 2bpy h ASN 88 N 0.54 0.37 0.00 7.04 -1.07 -1.78 -2.56 115.58 118.12 2bpy h ASN 88 Ca 0.39 0.01 -0.31 0.00 0.07 0.00 0.00 56.30 56.46 2bpy h ASN 88 Cb 0.75 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.87 2bpy h ASN 88 CO -0.15 0.23 -2.31 0.18 0.07 0.00 0.00 177.43 175.45 2bpy n LEU 89 N -4.47 0.00 -0.10 6.14 4.77 -0.66 -4.38 117.00 118.30 2bpy n LEU 89 Ca 0.09 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 2bpy n LEU 89 Cb 0.34 0.42 0.26 0.00 -2.33 0.00 0.00 43.42 42.11 2bpy n LEU 89 CO 0.34 0.42 1.05 -0.07 -1.33 0.00 0.00 177.39 177.81 2bpy h LEU 90 N 0.00 0.69 -1.04 2.23 3.38 -1.01 -2.48 115.31 117.08 2bpy h LEU 90 Ca -0.46 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2bpy h LEU 90 Cb 2.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2bpy h LEU 90 CO 0.03 0.63 0.19 0.71 0.09 0.00 0.00 178.44 180.08 2bpy h THR 91 N 0.75 1.22 0.00 0.22 1.35 -1.67 -1.66 112.91 113.13 2bpy h THR 91 Ca 0.18 -0.76 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 2bpy h THR 91 Cb 0.16 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2bpy h THR 91 CO -0.02 0.29 -0.17 1.56 -0.25 0.00 0.00 175.52 176.94 2bpy h GLN 92 N 0.86 0.00 -0.46 4.72 1.08 -1.65 -2.12 115.11 117.54 2bpy h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2bpy h GLN 92 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2bpy h GLN 92 CO -0.01 0.17 0.00 0.44 -0.95 0.00 0.00 178.83 178.48 2bpy n ILE 93 N -4.01 0.60 -2.24 2.54 -5.35 -1.10 -4.95 119.36 104.84 2bpy n ILE 93 Ca -0.02 -0.76 -0.07 0.00 -0.27 0.00 0.00 62.75 61.63 2bpy n ILE 93 Cb 0.25 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 2bpy n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpy n GLY 94 N 1.50 0.17 3.71 3.28 0.00 -0.80 -5.01 105.19 108.05 2bpy n GLY 94 Ca 0.20 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2bpy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpy s THR 96 N 0.94 1.13 -0.20 0.00 -4.23 -1.26 -4.70 115.64 107.32 2bpy s THR 96 Ca 0.53 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2bpy s THR 96 Cb -0.22 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2bpy s THR 96 CO 0.28 -0.71 0.07 -0.22 -0.54 0.00 0.00 174.62 173.50 2bpy s LEU 97 N -3.03 3.78 0.01 4.79 2.96 -1.26 -5.10 118.68 120.83 2bpy s LEU 97 Ca 0.15 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2bpy s LEU 97 Cb 0.02 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2bpy s LEU 97 CO 0.00 0.14 -0.14 0.20 -1.32 0.00 0.00 176.35 175.23 2bpy s ASN 98 N 0.59 1.69 0.00 3.68 0.01 -1.26 -5.31 114.94 114.35 2bpy s ASN 98 Ca 0.04 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2bpy s ASN 98 Cb -0.13 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.37 2bpy s ASN 98 CO 0.01 0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.96