#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 3.99 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.41 2bpy s GLN 2 Ca 0.00 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.08 2bpy s GLN 2 Cb 0.00 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.90 2bpy s GLN 2 CO 0.00 0.27 -0.19 0.42 -0.55 0.00 0.00 175.29 175.24 2bpy s ILE 3 N 0.38 2.00 0.58 -2.34 1.01 -1.26 -5.12 121.20 116.45 2bpy s ILE 3 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 2bpy s ILE 3 Cb -0.12 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2bpy s ILE 3 CO 0.00 0.53 0.93 0.42 0.00 0.00 0.00 174.94 176.82 2bpy s THR 4 N 1.31 4.36 -0.27 2.92 -4.23 -1.26 -5.02 115.64 113.45 2bpy s THR 4 Ca 0.05 0.40 0.12 0.00 -1.18 0.00 0.00 61.69 61.08 2bpy s THR 4 Cb -0.13 -3.72 0.61 0.00 1.34 0.00 0.00 72.50 70.61 2bpy s THR 4 CO -0.13 -0.82 1.60 0.18 -0.54 0.00 0.00 174.62 174.91 2bpy n LEU 5 N -2.59 4.87 0.26 4.79 4.77 -1.26 -4.47 117.00 123.37 2bpy n LEU 5 Ca 0.04 -3.29 0.15 0.00 -0.03 0.00 0.00 56.01 52.87 2bpy n LEU 5 Cb 0.56 -0.65 0.59 0.00 -2.33 0.00 0.00 43.42 41.58 2bpy n LEU 5 CO 0.55 0.87 0.93 -0.50 -1.33 0.00 0.00 177.39 177.91 2bpy h TRP 6 N 1.93 0.00 -3.22 -1.77 4.06 -2.06 -3.43 115.95 111.46 2bpy h TRP 6 Ca 0.17 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.75 2bpy h TRP 6 Cb 1.88 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.89 2bpy h TRP 6 CO 0.96 0.07 -0.71 1.14 -3.56 0.00 0.00 178.44 176.33 2bpy s GLN 7 N -3.65 1.18 0.24 0.49 0.00 -1.26 -5.11 119.66 111.54 2bpy s GLN 7 Ca 0.01 -1.52 -0.31 0.00 -0.00 0.00 0.00 55.36 53.54 2bpy s GLN 7 Cb 0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 33.01 32.22 2bpy s GLN 7 CO 0.58 0.08 1.65 1.03 0.00 0.00 0.00 175.29 178.64 2bpy s ARG 8 N -3.73 4.14 -1.20 9.60 0.52 -1.26 -4.88 118.95 122.14 2bpy s ARG 8 Ca 0.20 2.56 -0.19 0.00 -0.52 0.00 0.00 55.73 57.79 2bpy s ARG 8 Cb 0.02 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 2bpy s ARG 8 CO 0.03 -0.69 1.97 -0.35 0.02 0.00 0.00 175.30 176.29 2bpy n PRO 9 N 3.28 2.38 -3.46 3.54 -0.04 -1.26 -4.93 135.00 134.50 2bpy n PRO 9 Ca 0.13 -2.57 -0.38 0.00 -0.04 0.00 0.00 63.50 60.63 2bpy n PRO 9 Cb 0.36 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 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 4.18 4.39 0.28 1.53 1.43 -1.26 -1.31 118.68 127.91 2bpy s LEU 10 Ca 0.55 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2bpy s LEU 10 Cb 0.09 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2bpy s LEU 10 CO 0.05 0.21 0.08 0.68 0.23 0.00 0.00 176.35 177.60 2bpy s VAL 11 N -0.40 0.75 -0.17 -1.59 -7.23 0.29 -4.94 120.40 107.10 2bpy s VAL 11 Ca 0.23 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 2bpy s VAL 11 Cb -0.16 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2bpy s VAL 11 CO 0.11 -0.01 0.24 -0.89 -0.31 0.00 0.00 175.10 174.24 2bpy s THR 12 N -3.62 5.34 0.21 5.32 2.01 -1.26 -1.11 115.64 122.53 2bpy s THR 12 Ca 0.37 0.44 0.11 0.00 0.31 0.00 0.00 61.69 62.92 2bpy s THR 12 Cb 0.08 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2bpy s THR 12 CO 0.14 0.42 -0.20 0.27 -0.69 0.00 0.00 174.62 174.56 2bpy s ILE 13 N 0.34 2.58 -0.16 1.82 -4.36 0.40 -2.96 121.20 118.87 2bpy s ILE 13 Ca 0.14 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2bpy s ILE 13 Cb -0.12 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.34 2bpy s ILE 13 CO 0.02 -0.18 -0.14 -0.75 0.24 0.00 0.00 174.94 174.13 2bpy s LYS 14 N -2.89 2.36 -0.09 0.37 2.20 -0.22 -1.08 119.74 120.38 2bpy s LYS 14 Ca 0.24 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 2bpy s LYS 14 Cb -0.07 -2.22 0.05 0.00 -1.51 0.00 0.00 37.83 34.08 2bpy s LYS 14 CO 0.12 -0.26 0.19 -1.50 -0.36 0.00 0.00 175.35 173.54 2bpy s ILE 15 N 1.45 -0.23 -1.01 5.43 2.07 -0.31 -1.29 121.20 127.31 2bpy s ILE 15 Ca 0.04 0.28 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 2bpy s ILE 15 Cb -0.13 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.13 2bpy s ILE 15 CO -0.11 0.12 0.21 0.61 -1.91 0.00 0.00 174.94 173.86 2bpy n GLY 16 N 4.98 -0.09 2.39 1.50 0.00 -1.26 -2.20 105.19 110.50 2bpy n GLY 16 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.13 0.36 3.50 -0.02 0.00 -1.26 -5.01 105.19 101.62 2bpy n GLY 17 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.63 1.89 -0.12 1.61 -0.21 -0.94 -5.12 119.66 116.14 2bpy s GLN 18 Ca 0.00 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.15 2bpy s GLN 18 Cb 0.00 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 2bpy s GLN 18 CO 0.00 0.49 0.23 -0.51 -2.12 0.00 0.00 175.29 173.38 2bpy s LEU 19 N -2.03 4.34 0.09 2.90 1.43 -1.26 -1.17 118.68 122.98 2bpy s LEU 19 Ca 0.18 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2bpy s LEU 19 Cb -0.11 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2bpy s LEU 19 CO 0.10 0.27 0.06 -0.54 0.23 0.00 0.00 176.35 176.47 2bpy s LYS 20 N -0.41 0.78 -0.09 1.70 1.02 -0.25 -4.98 119.74 117.52 2bpy s LYS 20 Ca 0.16 -1.21 -0.10 0.00 0.02 0.00 0.00 55.97 54.84 2bpy s LYS 20 Cb -0.13 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 2bpy s LYS 20 CO 0.05 -0.20 0.22 -2.00 -0.92 0.00 0.00 175.35 172.50 2bpy s GLU 21 N -3.94 3.61 0.02 1.68 2.56 -1.26 -0.45 118.70 120.91 2bpy s GLU 21 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 54.97 55.04 2bpy s GLU 21 Cb 0.07 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.99 2bpy s GLU 21 CO -0.07 0.74 0.16 0.00 -0.56 0.00 0.00 175.26 175.53 2bpy s ALA 22 N -1.00 -0.32 -0.19 6.30 0.00 -0.26 -4.29 121.76 122.00 2bpy s ALA 22 Ca 0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 2bpy s ALA 22 Cb -0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2bpy s ALA 22 CO 0.07 -0.27 0.31 -1.17 0.00 0.00 0.00 175.76 174.69 2bpy s LEU 23 N -1.72 4.19 -0.49 0.00 2.96 0.43 -0.55 118.68 123.51 2bpy s LEU 23 Ca -0.10 0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 53.97 2bpy s LEU 23 Cb -0.04 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.28 2bpy s LEU 23 CO -0.01 0.03 1.33 -0.76 -1.32 0.00 0.00 176.35 175.63 2bpy s LEU 24 N 0.84 3.52 -0.32 -0.68 1.02 -0.43 -0.94 118.68 121.70 2bpy s LEU 24 Ca 0.16 0.51 0.03 0.00 0.02 0.00 0.00 54.13 54.85 2bpy s LEU 24 Cb -0.14 -3.35 0.09 0.00 0.02 0.00 0.00 46.19 42.81 2bpy s LEU 24 CO 0.05 -1.49 0.02 -0.62 0.02 0.00 0.00 176.35 174.33 2bpy s ASP 25 N 3.69 4.60 0.26 2.29 -1.08 -0.38 -4.81 116.67 121.24 2bpy s ASP 25 Ca 0.54 -1.92 0.25 0.00 -0.52 0.00 0.00 52.55 50.90 2bpy s ASP 25 Cb -0.11 -1.53 0.91 0.00 -1.46 0.00 0.00 42.92 40.73 2bpy s ASP 25 CO 0.29 -0.34 1.75 0.71 0.52 0.00 0.00 175.17 178.11 2bpy h THR 26 N 6.64 0.00 -0.06 1.71 1.35 -1.93 -2.82 112.91 117.79 2bpy h THR 26 Ca -0.08 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2bpy h THR 26 Cb 1.03 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2bpy h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2bpy n GLY 27 N 0.60 0.08 3.47 5.82 0.00 -1.26 -4.78 105.19 109.12 2bpy n GLY 27 Ca 0.04 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2bpy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpy s ALA 28 N -1.94 3.15 0.21 4.61 0.00 -1.06 -4.98 121.76 121.75 2bpy s ALA 28 Ca 0.36 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2bpy s ALA 28 Cb 0.20 -1.98 0.16 0.00 0.00 0.00 0.00 23.12 21.50 2bpy s ALA 28 CO 0.31 -0.33 1.56 -0.44 0.00 0.00 0.00 175.76 176.87 2bpy h ASP 29 N 7.87 0.64 -1.81 0.00 3.32 -1.86 0.23 116.42 124.82 2bpy h ASP 29 Ca -0.37 -0.30 -0.59 0.00 0.02 0.00 0.00 57.03 55.78 2bpy h ASP 29 Cb 1.18 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 2bpy h ASP 29 CO 0.60 0.99 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.71 2bpy s ASP 30 N -6.87 4.14 -0.25 6.45 1.01 -1.26 -2.99 116.67 116.90 2bpy s ASP 30 Ca -0.08 -1.10 -0.12 0.00 0.71 0.00 0.00 52.55 51.96 2bpy s ASP 30 Cb 0.12 -0.48 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 2bpy s ASP 30 CO 0.83 -0.34 0.25 -0.89 0.21 0.00 0.00 175.17 175.24 2bpy s THR 31 N -2.58 5.28 -0.13 -1.27 2.01 -1.26 -3.28 115.64 114.40 2bpy s THR 31 Ca 0.36 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.72 2bpy s THR 31 Cb 0.03 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.97 2bpy s THR 31 CO 0.20 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 2bpy s VAL 32 N 1.55 1.60 0.12 3.82 1.01 -0.43 -1.15 120.40 126.93 2bpy s VAL 32 Ca 0.11 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.48 2bpy s VAL 32 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2bpy s VAL 32 CO 0.08 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.82 2bpy s LEU 33 N 1.21 3.13 0.97 3.92 1.02 0.77 -0.39 118.68 129.32 2bpy s LEU 33 Ca -0.01 -0.38 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 2bpy s LEU 33 Cb -0.14 -1.88 0.17 0.00 0.02 0.00 0.00 46.19 44.36 2bpy s LEU 33 CO -0.06 0.15 1.09 -1.61 0.02 0.00 0.00 176.35 175.94 2bpy s GLU 34 N -2.42 0.66 -0.07 1.70 2.02 -1.26 -2.20 118.70 117.11 2bpy s GLU 34 Ca 0.23 1.10 -0.37 0.00 0.02 0.00 0.00 54.97 55.95 2bpy s GLU 34 Cb -0.11 -1.72 -0.15 0.00 0.10 0.00 0.00 34.13 32.25 2bpy s GLU 34 CO 0.15 -2.73 1.61 -1.91 0.02 0.00 0.00 175.26 172.40 2bpy n GLU 35 N -4.26 1.43 -3.78 1.61 4.07 -1.26 -4.72 120.64 113.74 2bpy n GLU 35 Ca 0.08 0.52 -0.07 0.00 -0.06 0.00 0.00 57.16 57.63 2bpy n GLU 35 Cb 0.54 -2.23 -0.02 0.00 -0.06 0.00 0.00 31.44 29.67 2bpy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bpy s MET 36 N 2.29 1.58 -0.28 5.31 0.23 -1.26 -5.10 119.30 122.08 2bpy s MET 36 Ca 0.91 -0.84 -0.14 0.00 -1.03 0.00 0.00 55.69 54.58 2bpy s MET 36 Cb -0.93 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 32.89 2bpy s MET 36 CO 0.54 -0.72 0.33 -1.12 -2.03 0.00 0.00 175.02 172.02 2bpy s SER 37 N -2.89 6.20 0.09 -1.18 0.01 -1.26 -5.07 113.70 109.59 2bpy s SER 37 Ca 0.10 0.19 0.10 0.00 1.31 0.00 0.00 55.95 57.66 2bpy s SER 37 Cb -0.04 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2bpy s SER 37 CO 0.03 -0.16 -0.26 -0.76 0.41 0.00 0.00 173.24 172.51 2bpy s LEU 38 N 2.00 2.31 0.60 2.44 1.43 -1.26 -5.05 118.68 121.15 2bpy s LEU 38 Ca 0.13 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 2bpy s LEU 38 Cb -0.16 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 2bpy s LEU 38 CO 0.10 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.85 2bpy s PRO 39 N -1.74 3.08 0.82 1.29 0.04 -1.26 -4.93 135.00 132.30 2bpy s PRO 39 Ca 0.14 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2bpy s PRO 39 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2bpy s PRO 39 CO 0.05 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.46 2bpy n GLY 40 N -0.28 -1.86 3.96 0.56 0.00 -1.26 -4.92 105.19 101.39 2bpy n GLY 40 Ca 0.11 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 2.74 0.09 1.61 0.52 -1.26 -5.11 118.95 117.53 2bpy s ARG 41 Ca 0.00 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2bpy s ARG 41 Cb 0.00 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 2bpy s ARG 41 CO 0.00 -0.57 -0.09 1.67 0.02 0.00 0.00 175.30 176.33 2bpy s TRP 42 N -2.72 0.96 0.22 -0.53 1.48 -1.26 -4.68 118.94 112.41 2bpy s TRP 42 Ca 0.54 -0.67 0.10 0.00 -1.06 0.00 0.00 56.10 55.00 2bpy s TRP 42 Cb -0.10 -0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 31.63 2bpy s TRP 42 CO 0.39 -0.04 -0.11 0.15 -4.06 0.00 0.00 176.95 173.27 2bpy s LYS 43 N -2.76 1.98 0.40 3.25 1.02 -0.63 -4.89 119.74 118.12 2bpy s LYS 43 Ca 0.04 -1.43 -0.14 0.00 0.02 0.00 0.00 55.97 54.46 2bpy s LYS 43 Cb -0.03 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 2bpy s LYS 43 CO -0.01 0.39 0.82 -1.25 -0.92 0.00 0.00 175.35 174.38 2bpy s PRO 44 N -3.13 3.94 -0.23 -1.68 0.04 -1.26 -0.71 135.00 131.96 2bpy s PRO 44 Ca 0.27 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 2bpy s PRO 44 Cb -0.07 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.19 2bpy s PRO 44 CO 0.16 -0.01 0.60 0.21 0.04 0.00 0.00 177.00 177.99 2bpy s LYS 45 N -3.52 0.69 -0.17 4.56 2.20 -1.08 -4.85 119.74 117.57 2bpy s LYS 45 Ca 0.55 0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 56.97 2bpy s LYS 45 Cb -0.10 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2bpy s LYS 45 CO 0.24 -0.09 0.00 -1.64 -0.36 0.00 0.00 175.35 173.51 2bpy s MET 46 N 0.44 3.78 0.00 4.03 -1.94 -1.26 -1.15 119.30 123.20 2bpy s MET 46 Ca -0.01 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 2bpy s MET 46 Cb -0.04 -3.04 -0.01 0.00 2.01 0.00 0.00 34.83 33.74 2bpy s MET 46 CO -0.01 0.23 -0.12 0.96 -0.01 0.00 0.00 175.02 176.07 2bpy s ILE 47 N 0.43 0.98 -0.12 2.53 -4.36 -0.77 -4.97 121.20 114.92 2bpy s ILE 47 Ca -0.01 -0.63 -0.02 0.00 -0.26 0.00 0.00 60.65 59.73 2bpy s ILE 47 Cb -0.14 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.71 2bpy s ILE 47 CO 0.02 0.20 -0.05 -0.83 0.24 0.00 0.00 174.94 174.52 2bpy s GLY 48 N -0.50 1.72 0.00 6.27 0.00 -1.26 -0.91 107.32 112.64 2bpy s GLY 48 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2bpy s GLY 48 CO -0.00 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.37 2bpy n GLY 49 N 2.90 4.40 0.20 0.20 0.00 0.24 -4.97 105.19 108.16 2bpy n GLY 49 Ca -0.18 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 2bpy n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bpy h ILE 50 N 0.00 1.32 -0.02 -0.61 6.09 -2.02 -3.30 117.51 118.97 2bpy h ILE 50 Ca 0.00 -2.00 0.00 0.00 -1.37 0.00 0.00 64.86 61.49 2bpy h ILE 50 Cb 0.00 1.98 0.00 0.00 0.47 0.00 0.00 36.82 39.27 2bpy h ILE 50 CO 0.00 0.62 -0.19 0.61 -3.07 0.00 0.00 178.15 176.12 2bpy n GLY 51 N 0.57 0.32 0.00 8.18 0.00 -1.26 -5.07 105.19 107.93 2bpy n GLY 51 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.34 0.91 3.86 -0.02 0.00 -1.24 -5.11 105.19 104.93 2bpy n GLY 52 Ca 0.13 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.77 3.44 0.15 1.61 0.40 -1.26 -0.59 117.98 118.95 2bpy s PHE 53 Ca 0.00 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2bpy s PHE 53 Cb 0.00 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 2bpy s PHE 53 CO 0.00 0.60 -0.07 0.96 0.70 0.00 0.00 175.22 177.41 2bpy s ILE 54 N -1.32 1.01 -0.17 0.64 -4.36 -0.09 -4.97 121.20 111.94 2bpy s ILE 54 Ca 0.27 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 58.55 2bpy s ILE 54 Cb -0.12 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 2bpy s ILE 54 CO 0.19 -0.70 0.14 -0.54 0.24 0.00 0.00 174.94 174.27 2bpy s LYS 55 N -3.79 3.96 0.20 0.37 3.01 -1.26 -1.84 119.74 120.39 2bpy s LYS 55 Ca 0.18 -0.19 0.03 0.00 -1.01 0.00 0.00 55.97 54.98 2bpy s LYS 55 Cb 0.04 -3.35 -0.05 0.00 -1.01 0.00 0.00 37.83 33.46 2bpy s LYS 55 CO 0.01 0.45 -0.02 0.14 0.51 0.00 0.00 175.35 176.44 2bpy s VAL 56 N -0.07 0.94 -0.19 3.17 -7.23 -0.30 -4.66 120.40 112.06 2bpy s VAL 56 Ca 0.10 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2bpy s VAL 56 Cb -0.11 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2bpy s VAL 56 CO -0.00 -0.43 0.08 -0.13 -0.31 0.00 0.00 175.10 174.32 2bpy s ARG 57 N -3.86 4.04 -0.24 4.82 0.52 -0.03 -2.62 118.95 121.57 2bpy s ARG 57 Ca 0.26 -0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 2bpy s ARG 57 Cb 0.05 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2bpy s ARG 57 CO 0.06 0.27 0.20 -1.14 0.02 0.00 0.00 175.30 174.71 2bpy s GLN 58 N 0.39 4.06 -0.10 3.54 0.74 0.11 -0.73 119.66 127.67 2bpy s GLN 58 Ca 0.05 -0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.27 2bpy s GLN 58 Cb -0.12 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.42 2bpy s GLN 58 CO -0.00 -0.00 -0.21 0.71 -0.55 0.00 0.00 175.29 175.23 2bpy s TYR 59 N 1.24 2.60 0.27 1.67 1.51 -0.25 -1.60 117.35 122.79 2bpy s TYR 59 Ca 0.09 -0.86 0.07 0.00 -1.01 0.00 0.00 57.07 55.36 2bpy s TYR 59 Cb -0.14 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 2bpy s TYR 59 CO 0.06 -0.31 0.27 -0.51 -1.11 0.00 0.00 175.55 173.95 2bpy s ASP 60 N 0.19 5.72 -1.46 2.29 1.01 -1.26 -1.24 116.67 121.92 2bpy s ASP 60 Ca -0.13 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 2bpy s ASP 60 Cb -0.16 -1.44 0.04 0.00 1.01 0.00 0.00 42.92 42.36 2bpy s ASP 60 CO 0.07 -0.12 0.55 0.00 0.21 0.00 0.00 175.17 175.88 2bpy n GLN 61 N -1.30 -3.57 -3.47 8.23 6.02 -1.19 -4.92 117.38 117.18 2bpy n GLN 61 Ca -0.07 0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 56.98 2bpy n GLN 61 Cb 0.58 -4.75 -0.07 0.00 1.02 0.00 0.00 30.24 27.02 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 -3.77 5.27 0.01 5.09 -1.09 -0.45 -4.76 121.20 121.50 2bpy s ILE 62 Ca 0.19 0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 58.98 2bpy s ILE 62 Cb -0.10 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2bpy s ILE 62 CO 0.89 0.35 0.85 -0.22 -1.23 0.00 0.00 174.94 175.58 2bpy s LEU 63 N 0.67 4.39 -0.12 2.97 1.98 -1.26 -1.55 118.68 125.76 2bpy s LEU 63 Ca 0.18 1.50 -0.06 0.00 -2.89 0.00 0.00 54.13 52.87 2bpy s LEU 63 Cb -0.14 -3.36 0.05 0.00 0.66 0.00 0.00 46.19 43.40 2bpy s LEU 63 CO 0.06 -0.13 0.28 -0.51 -1.89 0.00 0.00 176.35 174.15 2bpy s ILE 64 N 0.58 -0.10 -0.23 6.68 2.07 -0.40 -4.59 121.20 125.20 2bpy s ILE 64 Ca 0.44 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.73 2bpy s ILE 64 Cb -0.20 -0.43 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 2bpy s ILE 64 CO 0.24 0.07 0.20 -0.70 -1.91 0.00 0.00 174.94 172.84 2bpy s GLU 65 N 1.47 4.09 -0.27 3.50 2.12 -0.41 -1.25 118.70 127.95 2bpy s GLU 65 Ca -0.08 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.07 2bpy s GLU 65 Cb -0.10 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.79 2bpy s GLU 65 CO -0.09 0.04 -0.06 0.42 -0.54 0.00 0.00 175.26 175.03 2bpy s ILE 66 N 1.12 2.64 -1.54 -3.70 1.01 0.48 -1.06 121.20 120.15 2bpy s ILE 66 Ca 0.10 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 2bpy s ILE 66 Cb -0.14 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.94 2bpy s ILE 66 CO 0.05 0.01 0.94 0.00 0.00 0.00 0.00 174.94 175.94 2bpy n GLY 68 N -1.66 0.88 3.48 0.00 0.00 -1.26 -5.01 105.19 101.62 2bpy n GLY 68 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.47 3.12 0.14 1.61 4.02 0.22 -5.07 115.29 115.85 2bpy s HIS 69 Ca 0.00 -0.29 -0.29 0.00 1.02 0.00 0.00 55.06 55.50 2bpy s HIS 69 Cb 0.00 -2.26 -0.07 0.00 -1.02 0.00 0.00 32.58 29.23 2bpy s HIS 69 CO 0.00 -0.30 0.93 0.15 1.02 0.00 0.00 174.74 176.54 2bpy s LYS 70 N 1.60 4.72 0.04 1.40 1.02 -1.26 -0.38 119.74 126.87 2bpy s LYS 70 Ca 0.06 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.49 2bpy s LYS 70 Cb -0.15 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 2bpy s LYS 70 CO 0.05 0.32 -0.07 0.00 -0.92 0.00 0.00 175.35 174.73 2bpy s ALA 71 N -0.39 0.54 -0.14 5.17 0.00 -0.38 -4.90 121.76 121.67 2bpy s ALA 71 Ca 0.44 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2bpy s ALA 71 Cb -0.24 0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.98 2bpy s ALA 71 CO 0.30 -0.03 0.02 0.42 0.00 0.00 0.00 175.76 176.47 2bpy s ILE 72 N -1.37 0.47 0.00 0.00 1.01 -1.26 -1.28 121.20 118.77 2bpy s ILE 72 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2bpy s ILE 72 Cb -0.10 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2bpy s ILE 72 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2bpy n GLY 73 N 5.09 1.78 3.70 6.18 0.00 -0.60 -4.83 105.19 116.52 2bpy n GLY 73 Ca -0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.64 4.75 -0.02 2.61 2.01 -1.26 -1.34 115.64 119.74 2bpy s THR 74 Ca 0.00 1.98 0.06 0.00 0.31 0.00 0.00 61.69 64.04 2bpy s THR 74 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2bpy s THR 74 CO 0.00 0.10 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 2bpy s VAL 75 N 1.39 1.54 -0.07 3.82 1.01 -0.37 -4.52 120.40 123.20 2bpy s VAL 75 Ca 0.52 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2bpy s VAL 75 Cb -0.21 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2bpy s VAL 75 CO 0.25 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.93 2bpy s LEU 76 N -0.32 2.99 -0.14 3.92 1.43 -0.30 -1.09 118.68 125.17 2bpy s LEU 76 Ca 0.04 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2bpy s LEU 76 Cb -0.09 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2bpy s LEU 76 CO 0.00 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 2bpy s VAL 77 N -0.68 2.16 0.02 -1.59 1.01 0.09 -0.16 120.40 121.26 2bpy s VAL 77 Ca 0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2bpy s VAL 77 Cb -0.11 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2bpy s VAL 77 CO 0.01 0.54 0.28 0.61 0.00 0.00 0.00 175.10 176.55 2bpy n GLY 78 N 4.07 0.87 3.56 4.51 0.00 -0.94 -0.85 105.19 116.41 2bpy n GLY 78 Ca -0.20 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 2bpy n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bpy s PRO 79 N -2.01 2.88 0.07 1.61 0.04 -1.26 -4.08 135.00 132.25 2bpy s PRO 79 Ca 0.06 -0.57 0.10 0.00 0.04 0.00 0.00 61.00 60.63 2bpy s PRO 79 Cb -0.00 -5.16 -0.03 0.00 0.04 0.00 0.00 34.50 29.34 2bpy s PRO 79 CO 0.01 -3.02 -0.26 -0.08 0.04 0.00 0.00 177.00 173.69 2bpy s THR 80 N 8.49 2.22 0.40 1.26 -1.32 -1.26 -5.04 115.64 120.40 2bpy s THR 80 Ca 0.63 -1.48 0.19 0.00 -1.21 0.00 0.00 61.69 59.82 2bpy s THR 80 Cb -0.04 -1.90 0.20 0.00 -1.51 0.00 0.00 72.50 69.24 2bpy s THR 80 CO -0.03 0.29 1.97 -0.65 -2.21 0.00 0.00 174.62 173.98 2bpy h PRO 81 N 4.52 0.00 -3.44 7.08 0.11 -1.98 -3.46 132.00 134.84 2bpy h PRO 81 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2bpy h PRO 81 Cb 1.15 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 2bpy h PRO 81 CO 0.43 0.21 -0.08 0.54 -0.21 0.00 0.00 178.00 178.89 2bpy s VAL 82 N -4.31 0.06 0.05 3.15 0.11 -1.26 -5.11 120.40 113.08 2bpy s VAL 82 Ca -0.03 -0.76 -0.31 0.00 -2.93 0.00 0.00 61.98 57.96 2bpy s VAL 82 Cb 0.14 -1.38 -0.06 0.00 -1.53 0.00 0.00 36.38 33.55 2bpy s VAL 82 CO 0.66 -0.26 1.29 0.20 -3.33 0.00 0.00 175.10 173.66 2bpy s ASN 83 N -2.85 6.96 -0.14 3.54 0.01 -1.26 -4.68 114.94 116.52 2bpy s ASN 83 Ca 0.07 2.10 0.00 0.00 -0.71 0.00 0.00 52.86 54.32 2bpy s ASN 83 Cb 0.01 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 2bpy s ASN 83 CO -0.08 -0.58 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.15 2bpy s ILE 84 N 1.46 2.79 -0.36 0.60 1.01 0.48 -0.43 121.20 126.75 2bpy s ILE 84 Ca 0.61 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 2bpy s ILE 84 Cb -0.31 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.00 2bpy s ILE 84 CO 0.28 0.52 0.21 -0.63 0.00 0.00 0.00 174.94 175.33 2bpy s ILE 85 N 0.59 4.82 0.37 2.92 -1.09 -0.12 -1.31 121.20 127.38 2bpy s ILE 85 Ca -0.09 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 2bpy s ILE 85 Cb -0.16 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2bpy s ILE 85 CO 0.03 -0.13 0.51 0.61 -1.23 0.00 0.00 174.94 174.74 2bpy n GLY 86 N 5.04 1.10 0.33 6.18 0.00 -1.21 -1.24 105.19 115.39 2bpy n GLY 86 Ca -0.12 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 0.14 -0.40 1.61 3.08 -0.96 -1.64 114.38 116.21 2bpy h ARG 87 Ca -0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2bpy h ARG 87 Cb 0.67 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2bpy h ARG 87 CO 0.20 0.09 0.25 -2.95 -1.07 0.00 0.00 179.97 176.49 2bpy h ASN 88 N 0.14 0.46 0.12 7.04 -1.07 -1.81 -1.73 115.58 118.74 2bpy h ASN 88 Ca 0.17 -0.02 -0.19 0.00 0.07 0.00 0.00 56.30 56.34 2bpy h ASN 88 Cb 0.50 -0.12 -0.04 0.00 -2.07 0.00 0.00 38.32 36.60 2bpy h ASN 88 CO -0.02 0.35 -2.06 0.18 0.07 0.00 0.00 177.43 175.94 2bpy n LEU 89 N -4.46 0.15 -0.14 6.14 4.77 -0.87 -4.06 117.00 118.52 2bpy n LEU 89 Ca 0.03 0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2bpy n LEU 89 Cb 0.07 0.23 0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2bpy n LEU 89 CO 0.35 0.24 0.86 -0.07 -1.33 0.00 0.00 177.39 177.45 2bpy h LEU 90 N 0.00 0.85 -1.08 2.23 3.38 -1.06 -2.60 115.31 117.03 2bpy h LEU 90 Ca -0.27 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 2bpy h LEU 90 Cb 1.64 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2bpy h LEU 90 CO 0.02 0.91 -0.26 0.71 0.09 0.00 0.00 178.44 179.91 2bpy h THR 91 N 0.81 1.25 -0.47 0.22 1.35 -1.50 -1.08 112.91 113.50 2bpy h THR 91 Ca 0.15 -1.20 -0.11 0.00 -0.55 0.00 0.00 66.41 64.71 2bpy h THR 91 Cb 0.48 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2bpy h THR 91 CO 0.02 0.37 -0.13 1.56 -0.25 0.00 0.00 175.52 177.09 2bpy h GLN 92 N 0.30 0.88 -0.06 4.72 4.20 -1.61 -2.73 115.11 120.81 2bpy h GLN 92 Ca 0.05 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2bpy h GLN 92 Cb 0.62 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2bpy h GLN 92 CO 0.04 0.96 0.00 0.44 -0.67 0.00 0.00 178.83 179.61 2bpy n ILE 93 N -4.14 0.07 -2.49 2.54 -5.35 -1.07 -4.93 119.36 104.00 2bpy n ILE 93 Ca 0.01 -0.18 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 2bpy n ILE 93 Cb 0.40 0.10 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.04 0.40 3.74 3.28 0.00 -1.03 -5.03 105.19 107.60 2bpy n GLY 94 Ca 0.18 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.22 0.49 -0.11 0.00 -4.23 -1.26 -4.71 115.64 105.59 2bpy s THR 96 Ca 0.41 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2bpy s THR 96 Cb -0.22 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2bpy s THR 96 CO 0.26 -0.51 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.06 2bpy s LEU 97 N -3.12 3.48 0.01 4.79 1.43 -1.26 -5.10 118.68 118.91 2bpy s LEU 97 Ca 0.23 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2bpy s LEU 97 Cb 0.07 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2bpy s LEU 97 CO 0.02 0.31 -0.06 0.20 0.23 0.00 0.00 176.35 177.05 2bpy s ASN 98 N -0.47 0.74 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.07 2bpy s ASN 98 Ca 0.08 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.12 2bpy s ASN 98 Cb -0.12 -0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 2bpy s ASN 98 CO 0.02 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.75