#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpv s GLN 2 N 0.00 3.19 -0.16 -0.52 0.74 -1.26 -5.11 119.66 116.54 2bpv s GLN 2 Ca 0.00 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.64 2bpv s GLN 2 Cb 0.00 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.58 2bpv s GLN 2 CO 0.00 0.08 -0.17 0.42 -0.55 0.00 0.00 175.29 175.07 2bpv s ILE 3 N 0.63 2.46 0.58 -2.34 1.01 -1.26 -5.12 121.20 117.17 2bpv s ILE 3 Ca -0.09 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2bpv s ILE 3 Cb -0.16 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2bpv s ILE 3 CO 0.03 0.52 0.89 0.42 0.00 0.00 0.00 174.94 176.80 2bpv s THR 4 N 0.94 3.67 -0.25 2.92 -4.23 -1.26 -5.02 115.64 112.42 2bpv s THR 4 Ca -0.03 -0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.59 2bpv s THR 4 Cb -0.15 -3.45 0.58 0.00 1.34 0.00 0.00 72.50 70.81 2bpv s THR 4 CO -0.03 -0.46 1.53 0.18 -0.54 0.00 0.00 174.62 175.30 2bpv n LEU 5 N -2.56 4.49 0.21 4.79 4.77 -1.26 -4.50 117.00 122.94 2bpv n LEU 5 Ca 0.04 -3.28 0.07 0.00 -0.03 0.00 0.00 56.01 52.81 2bpv n LEU 5 Cb 0.58 -0.62 0.45 0.00 -2.33 0.00 0.00 43.42 41.49 2bpv n LEU 5 CO 0.52 0.87 0.77 -0.50 -1.33 0.00 0.00 177.39 177.72 2bpv h TRP 6 N 1.76 0.00 -2.06 -1.77 4.06 -2.06 -3.43 115.95 112.44 2bpv h TRP 6 Ca 0.13 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.50 2bpv h TRP 6 Cb 1.73 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.75 2bpv h TRP 6 CO 0.84 0.30 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.75 2bpv s GLN 7 N -3.87 1.84 0.22 0.49 -1.52 -1.26 -5.11 119.66 110.45 2bpv s GLN 7 Ca -0.01 -2.02 -0.30 0.00 -1.95 0.00 0.00 55.36 51.08 2bpv s GLN 7 Cb 0.12 -1.42 -0.09 0.00 -0.22 0.00 0.00 33.01 31.40 2bpv s GLN 7 CO 0.66 -0.05 1.38 1.03 -0.25 0.00 0.00 175.29 178.06 2bpv s ARG 8 N -3.74 4.32 -1.18 2.91 0.52 -1.26 -4.89 118.95 115.63 2bpv s ARG 8 Ca 0.35 2.19 -0.18 0.00 -0.52 0.00 0.00 55.73 57.57 2bpv s ARG 8 Cb 0.08 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 2bpv s ARG 8 CO 0.17 -0.35 2.08 -0.35 0.02 0.00 0.00 175.30 176.87 2bpv n PRO 9 N 2.54 2.30 -3.30 3.54 -0.04 -1.26 -4.93 135.00 133.86 2bpv n PRO 9 Ca 0.07 -2.33 -0.38 0.00 -0.04 0.00 0.00 63.50 60.81 2bpv n PRO 9 Cb 0.41 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2bpv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpv s LEU 10 N 2.13 4.34 0.27 1.53 1.43 -1.26 -1.48 118.68 125.64 2bpv s LEU 10 Ca 0.52 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 2bpv s LEU 10 Cb 0.13 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 2bpv s LEU 10 CO 0.01 0.06 0.02 0.68 0.23 0.00 0.00 176.35 177.35 2bpv s VAL 11 N 0.20 1.09 -0.11 -1.59 -7.23 -0.13 -4.94 120.40 107.69 2bpv s VAL 11 Ca 0.28 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 2bpv s VAL 11 Cb -0.16 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2bpv s VAL 11 CO 0.13 -0.18 0.28 -0.89 -0.31 0.00 0.00 175.10 174.13 2bpv s THR 12 N -3.38 5.28 0.16 5.32 2.01 -1.26 -0.94 115.64 122.83 2bpv s THR 12 Ca 0.32 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.95 2bpv s THR 12 Cb 0.07 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2bpv s THR 12 CO 0.12 0.49 -0.21 0.27 -0.69 0.00 0.00 174.62 174.59 2bpv s ILE 13 N -0.25 2.00 -0.13 1.82 -4.36 0.73 -3.08 121.20 117.93 2bpv s ILE 13 Ca 0.18 -1.86 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 2bpv s ILE 13 Cb -0.14 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.70 2bpv s ILE 13 CO 0.06 -0.16 -0.20 -0.75 0.24 0.00 0.00 174.94 174.13 2bpv s LYS 14 N -2.50 2.77 -0.09 0.37 2.20 -0.09 -0.76 119.74 121.64 2bpv s LYS 14 Ca 0.15 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2bpv s LYS 14 Cb -0.08 -2.27 0.05 0.00 -1.51 0.00 0.00 37.83 34.02 2bpv s LYS 14 CO 0.07 -0.04 0.19 -1.50 -0.36 0.00 0.00 175.35 173.71 2bpv s ILE 15 N 0.88 -0.18 -1.12 5.43 2.07 -0.04 -1.31 121.20 126.93 2bpv s ILE 15 Ca -0.06 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 2bpv s ILE 15 Cb -0.15 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.12 2bpv s ILE 15 CO -0.02 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2bpv n GLY 16 N 4.78 0.25 2.61 1.50 0.00 -1.26 -1.86 105.19 111.20 2bpv n GLY 16 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2bpv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpv n GLY 17 N -1.13 0.80 3.61 -0.02 0.00 -1.26 -5.02 105.19 102.16 2bpv n GLY 17 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2bpv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpv s GLN 18 N -0.01 2.45 -0.11 1.61 -0.21 -0.78 -5.11 119.66 117.50 2bpv s GLN 18 Ca 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.45 2bpv s GLN 18 Cb 0.00 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 2bpv s GLN 18 CO 0.00 0.57 0.23 -0.51 -2.12 0.00 0.00 175.29 173.46 2bpv s LEU 19 N -1.80 4.35 0.09 2.90 1.43 -1.26 -0.86 118.68 123.54 2bpv s LEU 19 Ca 0.20 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2bpv s LEU 19 Cb -0.11 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2bpv s LEU 19 CO 0.11 0.29 0.06 -0.54 0.23 0.00 0.00 176.35 176.50 2bpv s LYS 20 N -0.52 0.80 -0.13 1.70 3.01 0.06 -4.97 119.74 119.70 2bpv s LYS 20 Ca 0.16 -1.26 -0.08 0.00 -1.01 0.00 0.00 55.97 53.79 2bpv s LYS 20 Cb -0.13 0.25 -0.04 0.00 -1.01 0.00 0.00 37.83 36.90 2bpv s LYS 20 CO 0.05 -0.21 0.14 -1.21 0.51 0.00 0.00 175.35 174.63 2bpv s GLU 21 N -3.96 3.58 0.02 1.68 0.41 -1.26 -0.19 118.70 118.98 2bpv s GLU 21 Ca 0.14 -0.15 -0.00 0.00 -0.41 0.00 0.00 54.97 54.54 2bpv s GLU 21 Cb 0.07 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 2bpv s GLU 21 CO -0.05 0.69 -0.02 0.00 -0.49 0.00 0.00 175.26 175.38 2bpv s ALA 22 N -0.76 0.16 -0.23 5.21 0.00 -0.11 -4.33 121.76 121.69 2bpv s ALA 22 Ca 0.14 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 2bpv s ALA 22 Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2bpv s ALA 22 CO 0.03 -0.19 0.27 -1.17 0.00 0.00 0.00 175.76 174.70 2bpv s LEU 23 N -1.66 4.11 -0.44 0.00 2.96 -0.14 -0.95 118.68 122.56 2bpv s LEU 23 Ca -0.13 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 2bpv s LEU 23 Cb -0.07 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2bpv s LEU 23 CO -0.02 -0.03 1.43 -0.76 -1.32 0.00 0.00 176.35 175.65 2bpv s LEU 24 N 1.34 3.54 -0.33 -0.68 1.43 -0.55 -1.24 118.68 122.20 2bpv s LEU 24 Ca 0.12 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2bpv s LEU 24 Cb -0.14 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.73 2bpv s LEU 24 CO 0.07 -1.51 0.04 -0.62 0.23 0.00 0.00 176.35 174.56 2bpv s ASP 25 N 4.14 4.78 0.23 2.29 -1.08 -0.50 -4.81 116.67 121.71 2bpv s ASP 25 Ca 0.60 -1.96 0.24 0.00 -0.52 0.00 0.00 52.55 50.91 2bpv s ASP 25 Cb -0.13 -1.64 0.92 0.00 -1.46 0.00 0.00 42.92 40.61 2bpv s ASP 25 CO 0.31 -0.36 1.73 0.35 0.52 0.00 0.00 175.17 177.72 2bpv n THR 26 N 4.34 0.74 1.00 1.71 -2.24 -1.26 -2.46 114.28 116.11 2bpv n THR 26 Ca -0.01 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 2bpv n THR 26 Cb 0.42 -0.95 0.33 0.00 -2.10 0.00 0.00 70.33 68.02 2bpv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpv n GLY 27 N 0.46 0.68 3.46 3.38 0.00 -1.26 -4.80 105.19 107.10 2bpv n GLY 27 Ca 0.03 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2bpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpv s ALA 28 N -1.74 3.12 0.16 4.61 0.00 -1.03 -4.99 121.76 121.90 2bpv s ALA 28 Ca 0.34 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 2bpv s ALA 28 Cb 0.19 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.39 2bpv s ALA 28 CO 0.28 -0.31 1.48 -0.44 0.00 0.00 0.00 175.76 176.77 2bpv h ASP 29 N 7.85 0.84 -1.83 0.00 3.32 -1.87 0.10 116.42 124.83 2bpv h ASP 29 Ca -0.37 -0.42 -0.56 0.00 0.02 0.00 0.00 57.03 55.70 2bpv h ASP 29 Cb 1.17 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.40 2bpv h ASP 29 CO 0.60 1.18 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.94 2bpv s ASP 30 N -6.89 4.49 -0.28 6.45 1.01 -1.26 -2.89 116.67 117.29 2bpv s ASP 30 Ca -0.09 -0.90 -0.12 0.00 0.71 0.00 0.00 52.55 52.15 2bpv s ASP 30 Cb 0.11 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2bpv s ASP 30 CO 0.87 -0.33 0.24 -0.89 0.21 0.00 0.00 175.17 175.26 2bpv s THR 31 N -2.49 5.27 -0.16 -1.27 2.01 -1.26 -3.44 115.64 114.31 2bpv s THR 31 Ca 0.38 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2bpv s THR 31 Cb -0.01 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.94 2bpv s THR 31 CO 0.22 0.21 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.48 2bpv s VAL 32 N 1.84 1.88 0.11 3.82 1.01 -0.47 -0.87 120.40 127.71 2bpv s VAL 32 Ca 0.09 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2bpv s VAL 32 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2bpv s VAL 32 CO 0.11 0.51 0.00 -0.76 0.00 0.00 0.00 175.10 174.96 2bpv s LEU 33 N 1.25 3.45 0.88 3.92 1.02 0.13 -0.35 118.68 128.98 2bpv s LEU 33 Ca 0.02 -0.21 -0.11 0.00 0.02 0.00 0.00 54.13 53.86 2bpv s LEU 33 Cb -0.13 -2.17 0.12 0.00 0.02 0.00 0.00 46.19 44.03 2bpv s LEU 33 CO -0.10 0.16 1.11 -1.61 0.02 0.00 0.00 176.35 175.93 2bpv s GLU 34 N -2.44 1.38 -0.26 1.70 2.02 -1.26 -1.58 118.70 118.26 2bpv s GLU 34 Ca 0.26 1.24 -0.41 0.00 0.02 0.00 0.00 54.97 56.07 2bpv s GLU 34 Cb -0.11 -1.79 -0.17 0.00 0.10 0.00 0.00 34.13 32.15 2bpv s GLU 34 CO 0.19 -2.28 1.61 -1.91 0.02 0.00 0.00 175.26 172.89 2bpv n GLU 35 N -3.96 0.81 -3.76 1.61 4.07 -1.24 -4.65 120.64 113.53 2bpv n GLU 35 Ca 0.09 0.30 -0.07 0.00 -0.06 0.00 0.00 57.16 57.42 2bpv n GLU 35 Cb 0.53 -1.92 -0.02 0.00 -0.06 0.00 0.00 31.44 29.97 2bpv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bpv s MET 36 N 2.75 1.56 -0.31 5.31 0.23 -1.26 -5.08 119.30 122.50 2bpv s MET 36 Ca 0.97 -0.82 -0.14 0.00 -1.03 0.00 0.00 55.69 54.68 2bpv s MET 36 Cb -1.17 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 32.67 2bpv s MET 36 CO 0.66 -0.71 0.31 -1.12 -2.03 0.00 0.00 175.02 172.13 2bpv s SER 37 N -2.88 6.14 0.08 -1.18 0.01 -1.26 -5.07 113.70 109.54 2bpv s SER 37 Ca 0.09 -0.12 0.08 0.00 1.31 0.00 0.00 55.95 57.31 2bpv s SER 37 Cb -0.04 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2bpv s SER 37 CO 0.02 -0.23 -0.15 -0.76 0.41 0.00 0.00 173.24 172.53 2bpv s LEU 38 N 1.93 2.78 0.60 2.44 1.43 -1.26 -5.07 118.68 121.52 2bpv s LEU 38 Ca 0.10 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 2bpv s LEU 38 Cb -0.16 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2bpv s LEU 38 CO 0.11 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.83 2bpv s PRO 39 N -1.90 3.18 0.72 1.29 0.04 -1.26 -4.93 135.00 132.14 2bpv s PRO 39 Ca 0.18 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2bpv s PRO 39 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2bpv s PRO 39 CO 0.09 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2bpv n GLY 40 N -0.47 -1.85 3.93 0.56 0.00 -1.26 -4.95 105.19 101.15 2bpv n GLY 40 Ca 0.10 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 2bpv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpv s ARG 41 N 0.00 2.66 0.04 1.61 0.52 -1.26 -5.11 118.95 117.41 2bpv s ARG 41 Ca 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2bpv s ARG 41 Cb 0.00 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 2bpv s ARG 41 CO 0.00 -0.85 -0.04 1.67 0.02 0.00 0.00 175.30 176.09 2bpv s TRP 42 N -3.03 0.49 0.26 -0.53 1.48 -1.26 -4.68 118.94 111.66 2bpv s TRP 42 Ca 0.56 -0.78 0.11 0.00 -1.06 0.00 0.00 56.10 54.93 2bpv s TRP 42 Cb -0.11 -0.33 -0.05 0.00 -1.16 0.00 0.00 33.47 31.82 2bpv s TRP 42 CO 0.44 -0.24 -0.15 0.15 -4.06 0.00 0.00 176.95 173.08 2bpv s LYS 43 N -2.69 1.82 0.34 3.25 3.01 -0.82 -4.91 119.74 119.73 2bpv s LYS 43 Ca -0.03 -1.63 -0.18 0.00 -1.01 0.00 0.00 55.97 53.12 2bpv s LYS 43 Cb -0.01 -1.89 -0.09 0.00 -1.01 0.00 0.00 37.83 34.82 2bpv s LYS 43 CO -0.05 0.35 0.80 -1.25 0.51 0.00 0.00 175.35 175.72 2bpv s PRO 44 N -3.40 4.14 -0.15 -1.68 0.04 -1.26 -1.03 135.00 131.66 2bpv s PRO 44 Ca 0.29 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 2bpv s PRO 44 Cb -0.06 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.06 2bpv s PRO 44 CO 0.15 0.15 0.42 0.21 0.04 0.00 0.00 177.00 177.98 2bpv s LYS 45 N -2.81 0.51 -0.14 4.56 2.36 -0.87 -4.86 119.74 118.48 2bpv s LYS 45 Ca 0.54 0.54 -0.01 0.00 -2.55 0.00 0.00 55.97 54.50 2bpv s LYS 45 Cb -0.11 0.25 -0.02 0.00 -1.05 0.00 0.00 37.83 36.89 2bpv s LYS 45 CO 0.17 -0.07 -0.11 -1.64 1.55 0.00 0.00 175.35 175.25 2bpv s MET 46 N 0.13 3.44 0.01 4.03 -1.94 -1.26 -0.43 119.30 123.27 2bpv s MET 46 Ca -0.01 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 2bpv s MET 46 Cb -0.03 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 2bpv s MET 46 CO 0.01 0.20 -0.18 0.96 -0.01 0.00 0.00 175.02 176.00 2bpv s ILE 47 N 0.39 1.46 -0.16 2.53 -4.36 -0.61 -4.96 121.20 115.50 2bpv s ILE 47 Ca -0.09 -0.92 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 2bpv s ILE 47 Cb -0.16 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 2bpv s ILE 47 CO 0.05 0.30 0.02 -0.83 0.24 0.00 0.00 174.94 174.72 2bpv s GLY 48 N -0.72 1.84 0.00 6.27 0.00 -1.26 -1.09 107.32 112.36 2bpv s GLY 48 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2bpv s GLY 48 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.62 2bpv n GLY 49 N 3.28 5.38 0.24 0.20 0.00 0.30 -4.96 105.19 109.63 2bpv n GLY 49 Ca -0.17 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 2bpv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bpv h ILE 50 N 0.00 1.28 -0.01 -0.61 6.09 -2.03 -3.21 117.51 119.02 2bpv h ILE 50 Ca 0.00 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.70 2bpv h ILE 50 Cb 0.00 1.72 0.00 0.00 0.47 0.00 0.00 36.82 39.01 2bpv h ILE 50 CO 0.00 0.58 -0.07 0.61 -3.07 0.00 0.00 178.15 176.20 2bpv n GLY 51 N 0.42 -0.10 0.00 8.18 0.00 -1.26 -5.05 105.19 107.38 2bpv n GLY 51 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2bpv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpv n GLY 52 N 1.23 0.76 3.91 -0.02 0.00 -1.21 -5.10 105.19 104.75 2bpv n GLY 52 Ca 0.17 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2bpv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpv s PHE 53 N -1.48 3.48 0.05 1.61 0.40 -1.26 -0.54 117.98 120.25 2bpv s PHE 53 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2bpv s PHE 53 Cb 0.00 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 2bpv s PHE 53 CO 0.00 0.43 -0.04 0.96 0.70 0.00 0.00 175.22 177.26 2bpv s ILE 54 N -1.74 0.33 -0.14 0.64 -4.36 -0.25 -4.97 121.20 110.71 2bpv s ILE 54 Ca 0.39 -1.55 -0.12 0.00 -0.26 0.00 0.00 60.65 59.11 2bpv s ILE 54 Cb -0.12 -1.17 -0.05 0.00 1.25 0.00 0.00 42.46 42.37 2bpv s ILE 54 CO 0.27 -0.79 0.24 -0.54 0.24 0.00 0.00 174.94 174.36 2bpv s LYS 55 N -3.09 4.06 0.24 0.37 -0.14 -1.26 -1.57 119.74 118.35 2bpv s LYS 55 Ca 0.01 0.02 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 2bpv s LYS 55 Cb 0.01 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.75 2bpv s LYS 55 CO -0.06 0.40 -0.00 0.14 -0.76 0.00 0.00 175.35 175.07 2bpv s VAL 56 N 0.01 1.07 -0.19 3.17 -7.23 0.43 -4.71 120.40 112.94 2bpv s VAL 56 Ca 0.15 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2bpv s VAL 56 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2bpv s VAL 56 CO 0.04 -0.29 0.01 -0.13 -0.31 0.00 0.00 175.10 174.41 2bpv s ARG 57 N -3.86 3.69 -0.17 4.82 0.52 -0.63 -2.06 118.95 121.25 2bpv s ARG 57 Ca 0.29 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 54.94 2bpv s ARG 57 Cb 0.06 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 2bpv s ARG 57 CO 0.09 0.08 0.08 1.14 0.02 0.00 0.00 175.30 176.71 2bpv s GLN 58 N 0.83 3.90 -0.07 3.54 -2.07 -0.20 -0.93 119.66 124.67 2bpv s GLN 58 Ca 0.01 -0.30 0.03 0.00 -1.82 0.00 0.00 55.36 53.28 2bpv s GLN 58 Cb -0.14 -3.22 -0.02 0.00 -1.09 0.00 0.00 33.01 28.53 2bpv s GLN 58 CO 0.02 0.36 -0.16 0.71 -1.32 0.00 0.00 175.29 174.90 2bpv s TYR 59 N 0.14 2.67 0.18 9.60 1.51 -0.39 -1.95 117.35 129.11 2bpv s TYR 59 Ca 0.06 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2bpv s TYR 59 Cb -0.12 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2bpv s TYR 59 CO 0.00 0.04 0.16 -0.51 -1.11 0.00 0.00 175.55 174.13 2bpv s ASP 60 N -0.41 5.59 -1.33 2.29 1.01 -1.26 -1.48 116.67 121.08 2bpv s ASP 60 Ca 0.05 -0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.16 2bpv s ASP 60 Cb -0.12 -1.48 -0.00 0.00 1.01 0.00 0.00 42.92 42.33 2bpv s ASP 60 CO 0.02 0.05 0.60 0.00 0.21 0.00 0.00 175.17 176.05 2bpv n GLN 61 N -0.53 -3.96 -3.60 8.23 6.02 -1.16 -4.94 117.38 117.43 2bpv n GLN 61 Ca -0.08 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 2bpv n GLN 61 Cb 0.55 -4.86 -0.07 0.00 1.02 0.00 0.00 30.24 26.88 2bpv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpv s ILE 62 N -3.76 5.34 -0.02 5.09 -1.09 -0.58 -4.77 121.20 121.41 2bpv s ILE 62 Ca 0.05 0.43 -0.27 0.00 -2.23 0.00 0.00 60.65 58.63 2bpv s ILE 62 Cb -0.01 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2bpv s ILE 62 CO 0.84 0.41 0.86 -0.22 -1.23 0.00 0.00 174.94 175.60 2bpv s LEU 63 N 0.41 4.36 -0.08 2.97 1.98 -1.26 -1.82 118.68 125.23 2bpv s LEU 63 Ca 0.14 1.47 -0.03 0.00 -2.89 0.00 0.00 54.13 52.81 2bpv s LEU 63 Cb -0.12 -3.36 0.04 0.00 0.66 0.00 0.00 46.19 43.41 2bpv s LEU 63 CO 0.02 -0.19 0.17 -0.51 -1.89 0.00 0.00 176.35 173.95 2bpv s ILE 64 N 0.85 -0.08 -0.27 6.68 2.07 -0.02 -4.58 121.20 125.85 2bpv s ILE 64 Ca 0.46 0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.79 2bpv s ILE 64 Cb -0.20 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 2bpv s ILE 64 CO 0.24 0.08 0.16 -0.70 -1.91 0.00 0.00 174.94 172.81 2bpv s GLU 65 N 1.35 3.93 -0.29 3.50 2.12 -0.43 -0.78 118.70 128.10 2bpv s GLU 65 Ca -0.08 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 2bpv s GLU 65 Cb -0.11 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.73 2bpv s GLU 65 CO -0.07 -0.13 0.01 0.42 -0.54 0.00 0.00 175.26 174.96 2bpv s ILE 66 N 1.59 3.30 -1.45 -3.70 1.01 0.70 -0.91 121.20 121.74 2bpv s ILE 66 Ca 0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2bpv s ILE 66 Cb -0.15 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2bpv s ILE 66 CO 0.09 0.03 0.55 0.00 0.00 0.00 0.00 174.94 175.61 2bpv n GLY 68 N -1.82 0.70 3.37 0.00 0.00 -1.26 -4.99 105.19 101.19 2bpv n GLY 68 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2bpv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpv s HIS 69 N -2.95 3.10 0.20 1.61 4.02 0.48 -5.08 115.29 116.67 2bpv s HIS 69 Ca 0.00 -0.79 -0.30 0.00 1.02 0.00 0.00 55.06 54.99 2bpv s HIS 69 Cb 0.00 -2.23 -0.08 0.00 -1.02 0.00 0.00 32.58 29.25 2bpv s HIS 69 CO 0.00 -0.50 0.93 0.15 1.02 0.00 0.00 174.74 176.34 2bpv s LYS 70 N 1.53 4.80 0.02 1.40 1.02 -1.26 -0.22 119.74 127.03 2bpv s LYS 70 Ca 0.04 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.50 2bpv s LYS 70 Cb -0.16 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2bpv s LYS 70 CO 0.02 0.45 -0.04 0.00 -0.92 0.00 0.00 175.35 174.86 2bpv s ALA 71 N -0.88 0.24 -0.15 5.17 0.00 0.04 -4.88 121.76 121.30 2bpv s ALA 71 Ca 0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2bpv s ALA 71 Cb -0.25 0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.96 2bpv s ALA 71 CO 0.31 -0.05 -0.03 0.42 0.00 0.00 0.00 175.76 176.41 2bpv s ILE 72 N -0.90 0.83 0.00 0.00 1.01 -1.26 -0.84 121.20 120.04 2bpv s ILE 72 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2bpv s ILE 72 Cb -0.06 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2bpv s ILE 72 CO -0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2bpv n GLY 73 N 4.97 1.90 3.70 6.18 0.00 -0.76 -4.83 105.19 116.35 2bpv n GLY 73 Ca -0.10 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2bpv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpv s THR 74 N -2.60 4.84 -0.05 2.61 2.01 -1.26 -1.52 115.64 119.68 2bpv s THR 74 Ca 0.00 1.99 0.05 0.00 0.31 0.00 0.00 61.69 64.04 2bpv s THR 74 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2bpv s THR 74 CO 0.00 0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.14 2bpv s VAL 75 N 1.48 1.60 -0.07 3.82 1.01 -0.55 -4.51 120.40 123.18 2bpv s VAL 75 Ca 0.49 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2bpv s VAL 75 Cb -0.19 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2bpv s VAL 75 CO 0.22 0.46 0.02 -0.76 0.00 0.00 0.00 175.10 175.04 2bpv s LEU 76 N -0.03 3.68 -0.12 3.92 1.43 -0.05 -1.26 118.68 126.25 2bpv s LEU 76 Ca -0.04 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2bpv s LEU 76 Cb -0.12 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2bpv s LEU 76 CO 0.03 0.35 -0.21 -0.69 0.23 0.00 0.00 176.35 176.06 2bpv s VAL 77 N -0.97 1.95 0.00 -1.59 1.01 -0.11 0.19 120.40 120.88 2bpv s VAL 77 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2bpv s VAL 77 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2bpv s VAL 77 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2bpv n GLY 78 N 3.93 1.02 3.35 4.51 0.00 -0.62 -1.61 105.19 115.78 2bpv n GLY 78 Ca -0.20 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2bpv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpv n PRO 79 N 0.00 2.66 -4.18 1.61 -0.04 -1.26 -3.65 135.00 130.14 2bpv n PRO 79 Ca 0.00 -2.84 -0.32 0.00 -0.04 0.00 0.00 63.50 60.30 2bpv n PRO 79 Cb 0.00 -3.45 -0.08 0.00 -0.04 0.00 0.00 33.50 29.94 2bpv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpv s THR 80 N 5.40 4.32 0.33 0.52 -1.32 -1.26 -5.02 115.64 118.61 2bpv s THR 80 Ca 0.56 -0.65 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 2bpv s THR 80 Cb 0.06 -2.99 0.27 0.00 -1.51 0.00 0.00 72.50 68.34 2bpv s THR 80 CO 0.06 0.29 1.97 -0.65 -2.21 0.00 0.00 174.62 174.07 2bpv h PRO 81 N 3.96 0.93 -3.63 7.08 0.11 -1.97 -3.46 132.00 135.02 2bpv h PRO 81 Ca -0.48 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 2bpv h PRO 81 Cb 1.17 -0.21 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 2bpv h PRO 81 CO 0.60 0.61 -0.19 0.14 -0.21 0.00 0.00 178.00 178.96 2bpv s VAL 82 N -5.82 0.06 0.12 3.15 -7.23 -1.26 -5.10 120.40 104.33 2bpv s VAL 82 Ca -0.11 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.69 2bpv s VAL 82 Cb 0.18 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 2bpv s VAL 82 CO 0.78 -0.29 1.37 0.20 -0.31 0.00 0.00 175.10 176.85 2bpv s ASN 83 N -2.90 6.85 -0.14 4.85 0.01 -1.26 -4.70 114.94 117.65 2bpv s ASN 83 Ca 0.11 2.32 0.02 0.00 -0.71 0.00 0.00 52.86 54.60 2bpv s ASN 83 Cb 0.02 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2bpv s ASN 83 CO -0.04 -0.63 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.09 2bpv s ILE 84 N 0.98 2.24 -0.37 0.60 1.01 0.52 -0.96 121.20 125.21 2bpv s ILE 84 Ca 0.63 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2bpv s ILE 84 Cb -0.36 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2bpv s ILE 84 CO 0.31 0.54 0.26 -0.63 0.00 0.00 0.00 174.94 175.42 2bpv s ILE 85 N 0.72 5.17 0.38 2.92 -1.09 -0.37 -1.36 121.20 127.57 2bpv s ILE 85 Ca -0.09 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2bpv s ILE 85 Cb -0.16 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.01 2bpv s ILE 85 CO 0.00 -0.16 0.53 0.61 -1.23 0.00 0.00 174.94 174.69 2bpv n GLY 86 N 5.11 1.16 0.37 6.18 0.00 -1.22 -1.41 105.19 115.38 2bpv n GLY 86 Ca -0.12 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.99 2bpv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bpv h ARG 87 N 0.00 0.30 -0.62 1.61 3.08 -0.95 -1.45 114.38 116.35 2bpv h ARG 87 Ca -0.18 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.91 2bpv h ARG 87 Cb 0.70 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2bpv h ARG 87 CO 0.21 0.20 0.41 -2.95 -1.07 0.00 0.00 179.97 176.76 2bpv h ASN 88 N 0.31 0.56 0.15 7.04 7.08 -1.80 -1.95 115.58 126.96 2bpv h ASN 88 Ca 0.30 -0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.33 2bpv h ASN 88 Cb 0.76 -0.12 -0.04 0.00 -2.08 0.00 0.00 38.32 36.84 2bpv h ASN 88 CO -0.07 0.37 -2.05 0.18 -2.08 0.00 0.00 177.43 173.78 2bpv n LEU 89 N -4.47 0.18 -0.15 6.14 4.77 -0.77 -4.11 117.00 118.59 2bpv n LEU 89 Ca 0.08 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 2bpv n LEU 89 Cb 0.21 0.23 0.19 0.00 -2.33 0.00 0.00 43.42 41.72 2bpv n LEU 89 CO 0.34 0.25 1.03 -0.07 -1.33 0.00 0.00 177.39 177.61 2bpv h LEU 90 N 0.00 0.81 -1.01 2.23 3.38 -0.97 -2.34 115.31 117.41 2bpv h LEU 90 Ca -0.27 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 2bpv h LEU 90 Cb 1.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2bpv h LEU 90 CO 0.02 0.75 -0.46 0.71 0.09 0.00 0.00 178.44 179.55 2bpv h THR 91 N 0.86 1.33 -0.25 0.22 1.35 -1.54 -1.12 112.91 113.76 2bpv h THR 91 Ca 0.20 -1.60 -0.11 0.00 -0.55 0.00 0.00 66.41 64.35 2bpv h THR 91 Cb 0.22 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2bpv h THR 91 CO -0.01 0.46 -0.32 1.56 -0.25 0.00 0.00 175.52 176.96 2bpv h GLN 92 N 0.07 0.52 -0.11 4.72 4.20 -1.58 -2.84 115.11 120.10 2bpv h GLN 92 Ca 0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2bpv h GLN 92 Cb 0.84 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2bpv h GLN 92 CO 0.06 0.78 0.00 0.44 -0.67 0.00 0.00 178.83 179.45 2bpv n ILE 93 N -4.08 0.13 -2.15 2.54 -5.35 -1.07 -4.94 119.36 104.44 2bpv n ILE 93 Ca -0.01 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 2bpv n ILE 93 Cb 0.46 0.39 -0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2bpv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpv n GLY 94 N 1.14 0.23 3.73 3.28 0.00 -1.07 -5.03 105.19 107.47 2bpv n GLY 94 Ca 0.17 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2bpv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpv s THR 96 N 0.17 0.73 -0.14 0.00 -4.23 -1.26 -4.67 115.64 106.23 2bpv s THR 96 Ca 0.46 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 2bpv s THR 96 Cb -0.22 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2bpv s THR 96 CO 0.28 -0.69 0.07 -0.76 -0.54 0.00 0.00 174.62 172.98 2bpv s LEU 97 N -3.11 3.92 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.33 2bpv s LEU 97 Ca 0.18 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2bpv s LEU 97 Cb 0.05 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2bpv s LEU 97 CO -0.00 0.29 -0.07 0.20 0.23 0.00 0.00 176.35 176.99 2bpv s ASN 98 N -0.30 0.88 0.00 2.29 0.01 -1.26 -5.30 114.94 111.26 2bpv s ASN 98 Ca 0.09 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2bpv s ASN 98 Cb -0.12 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.39 2bpv s ASN 98 CO 0.02 0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.90