#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bv7 s GLN 2 N 0.00 3.89 -0.10 0.54 0.74 -1.26 -5.06 119.66 118.42 1bv7 s GLN 2 Ca 0.00 0.38 -0.00 0.00 0.05 0.00 0.00 55.36 55.78 1bv7 s GLN 2 Cb 0.00 -3.18 0.02 0.00 1.10 0.00 0.00 33.01 30.95 1bv7 s GLN 2 CO 0.00 0.67 -0.06 0.54 -0.55 0.00 0.00 175.29 175.89 1bv7 s VAL 3 N -1.14 0.86 0.65 1.34 0.11 -1.26 -5.13 120.40 115.83 1bv7 s VAL 3 Ca 0.25 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1bv7 s VAL 3 Cb -0.16 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1bv7 s VAL 3 CO 0.14 0.33 1.01 0.42 -3.33 0.00 0.00 175.10 173.68 1bv7 s THR 4 N 1.65 3.80 -0.30 5.04 -4.23 -1.26 -5.01 115.64 115.32 1bv7 s THR 4 Ca 0.03 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1bv7 s THR 4 Cb -0.13 -3.55 0.67 0.00 1.34 0.00 0.00 72.50 70.83 1bv7 s THR 4 CO -0.06 -0.67 1.69 0.18 -0.54 0.00 0.00 174.62 175.22 1bv7 n LEU 5 N -2.80 5.41 0.25 4.79 4.77 -1.26 -4.31 117.00 123.85 1bv7 n LEU 5 Ca 0.06 -3.29 0.17 0.00 -0.03 0.00 0.00 56.01 52.91 1bv7 n LEU 5 Cb 0.57 -0.70 0.70 0.00 -2.33 0.00 0.00 43.42 41.66 1bv7 n LEU 5 CO 0.56 0.86 0.98 -0.50 -1.33 0.00 0.00 177.39 177.97 1bv7 h TRP 6 N 2.18 0.00 -3.95 -1.77 4.06 -2.06 -3.43 115.95 110.97 1bv7 h TRP 6 Ca 0.23 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.93 1bv7 h TRP 6 Cb 2.09 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 30.05 1bv7 h TRP 6 CO 1.11 0.00 -0.72 1.14 -3.56 0.00 0.00 178.44 176.41 1bv7 s GLN 7 N -3.65 0.56 0.14 0.49 -2.07 -1.26 -5.11 119.66 108.77 1bv7 s GLN 7 Ca 0.01 -0.85 -0.34 0.00 -1.82 0.00 0.00 55.36 52.36 1bv7 s GLN 7 Cb 0.09 -0.22 -0.16 0.00 -1.09 0.00 0.00 33.01 31.64 1bv7 s GLN 7 CO 0.50 0.02 1.25 0.54 -1.32 0.00 0.00 175.29 176.28 1bv7 n ARG 8 N 1.18 1.22 -2.45 9.60 1.74 -1.26 -4.86 116.66 121.82 1bv7 n ARG 8 Ca -0.21 0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 1bv7 n ARG 8 Cb 0.56 -2.00 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1bv7 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bv7 s PRO 9 N -0.04 3.10 -0.00 5.56 0.04 -1.26 -4.98 135.00 137.41 1bv7 s PRO 9 Ca 0.77 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1bv7 s PRO 9 Cb -0.88 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.42 1bv7 s PRO 9 CO 0.50 -2.24 0.03 -0.51 0.04 0.00 0.00 177.00 174.81 1bv7 s LEU 10 N 6.34 3.63 0.31 -3.56 2.01 -1.26 -1.06 118.68 125.10 1bv7 s LEU 10 Ca 0.42 0.04 0.10 0.00 0.01 0.00 0.00 54.13 54.69 1bv7 s LEU 10 Cb -0.09 -2.09 -0.06 0.00 0.01 0.00 0.00 46.19 43.96 1bv7 s LEU 10 CO 0.17 0.28 -0.12 0.68 1.01 0.00 0.00 176.35 178.36 1bv7 s VAL 11 N -1.12 2.19 -0.02 -1.59 -7.23 0.28 -4.91 120.40 108.00 1bv7 s VAL 11 Ca 0.20 -2.25 -0.23 0.00 -1.81 0.00 0.00 61.98 57.90 1bv7 s VAL 11 Cb -0.12 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1bv7 s VAL 11 CO 0.11 -0.29 0.68 -0.89 -0.31 0.00 0.00 175.10 174.40 1bv7 s THR 12 N -2.66 4.93 0.10 5.32 2.01 -1.26 -0.84 115.64 123.24 1bv7 s THR 12 Ca 0.31 1.42 0.10 0.00 0.31 0.00 0.00 61.69 63.83 1bv7 s THR 12 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1bv7 s THR 12 CO 0.15 0.33 -0.26 0.27 -0.69 0.00 0.00 174.62 174.42 1bv7 s ILE 13 N 0.29 2.19 -0.13 1.82 -4.36 0.92 -1.21 121.20 120.72 1bv7 s ILE 13 Ca 0.36 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1bv7 s ILE 13 Cb -0.18 -1.92 -0.00 0.00 1.25 0.00 0.00 42.46 41.60 1bv7 s ILE 13 CO 0.19 0.16 -0.18 -0.75 0.24 0.00 0.00 174.94 174.60 1bv7 s LYS 14 N -1.81 3.19 -0.01 0.37 2.20 0.90 0.10 119.74 124.68 1bv7 s LYS 14 Ca 0.13 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1bv7 s LYS 14 Cb -0.10 -2.52 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1bv7 s LYS 14 CO 0.05 0.11 -0.06 0.42 -0.36 0.00 0.00 175.35 175.50 1bv7 s ILE 15 N 0.57 0.52 -2.09 5.43 1.09 0.07 -0.94 121.20 125.85 1bv7 s ILE 15 Ca -0.11 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1bv7 s ILE 15 Cb -0.16 -0.46 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 1bv7 s ILE 15 CO 0.04 0.16 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1bv7 n GLY 16 N 3.12 1.28 2.00 6.18 0.00 -1.26 0.18 105.19 116.68 1bv7 n GLY 16 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bv7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bv7 n GLY 17 N -0.59 0.40 3.12 -0.02 0.00 -1.26 -5.03 105.19 101.81 1bv7 n GLY 17 Ca -0.22 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 1bv7 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bv7 s GLN 18 N -1.69 0.85 -0.14 1.61 -0.21 0.13 -5.12 119.66 115.10 1bv7 s GLN 18 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 1bv7 s GLN 18 Cb 0.00 -0.83 -0.05 0.00 1.00 0.00 0.00 33.01 33.13 1bv7 s GLN 18 CO 0.00 0.21 0.20 -0.51 -2.12 0.00 0.00 175.29 173.06 1bv7 s LEU 19 N -1.06 4.32 0.32 2.90 2.01 -1.26 -0.75 118.68 125.15 1bv7 s LEU 19 Ca 0.01 0.47 0.03 0.00 0.01 0.00 0.00 54.13 54.64 1bv7 s LEU 19 Cb -0.07 -2.20 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 1bv7 s LEU 19 CO 0.01 0.27 0.12 -0.54 1.01 0.00 0.00 176.35 177.22 1bv7 s LYS 20 N -0.34 1.62 -0.03 1.70 3.01 0.12 -4.97 119.74 120.85 1bv7 s LYS 20 Ca 0.14 -1.92 0.05 0.00 -1.01 0.00 0.00 55.97 53.23 1bv7 s LYS 20 Cb -0.12 -0.41 -0.01 0.00 -1.01 0.00 0.00 37.83 36.28 1bv7 s LYS 20 CO 0.03 -0.36 -0.18 -2.00 0.51 0.00 0.00 175.35 173.35 1bv7 s GLU 21 N -3.87 1.66 0.02 1.68 2.56 -1.26 -0.05 118.70 119.44 1bv7 s GLU 21 Ca 0.34 -0.66 -0.08 0.00 0.00 0.00 0.00 54.97 54.57 1bv7 s GLU 21 Cb 0.06 -1.53 0.00 0.00 2.00 0.00 0.00 34.13 34.66 1bv7 s GLU 21 CO 0.15 0.35 0.16 0.00 -0.56 0.00 0.00 175.26 175.36 1bv7 s ALA 22 N -0.26 -0.30 0.08 6.30 0.00 -0.02 -4.47 121.76 123.09 1bv7 s ALA 22 Ca 0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1bv7 s ALA 22 Cb -0.09 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 1bv7 s ALA 22 CO 0.00 -0.30 0.54 -1.17 0.00 0.00 0.00 175.76 174.83 1bv7 s LEU 23 N -1.83 4.47 -0.25 0.00 2.96 0.43 -0.56 118.68 123.90 1bv7 s LEU 23 Ca -0.09 1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.80 1bv7 s LEU 23 Cb -0.03 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1bv7 s LEU 23 CO -0.02 0.24 0.54 -0.76 -1.32 0.00 0.00 176.35 175.03 1bv7 s LEU 24 N -1.33 4.06 -0.34 -0.68 1.02 -0.22 -0.86 118.68 120.33 1bv7 s LEU 24 Ca 0.30 0.57 -0.00 0.00 0.02 0.00 0.00 54.13 55.02 1bv7 s LEU 24 Cb -0.18 -2.71 0.11 0.00 0.02 0.00 0.00 46.19 43.44 1bv7 s LEU 24 CO 0.18 -0.29 0.13 -0.62 0.02 0.00 0.00 176.35 175.77 1bv7 s ASP 25 N 1.49 3.86 0.35 2.29 -1.08 -0.28 -4.83 116.67 118.47 1bv7 s ASP 25 Ca 0.22 -1.84 0.26 0.00 -0.52 0.00 0.00 52.55 50.68 1bv7 s ASP 25 Cb -0.16 -0.84 1.19 0.00 -1.46 0.00 0.00 42.92 41.66 1bv7 s ASP 25 CO 0.09 -0.38 1.79 0.71 0.52 0.00 0.00 175.17 177.90 1bv7 h THR 26 N 6.15 0.00 -0.00 1.71 1.35 -1.96 -1.25 112.91 118.92 1bv7 h THR 26 Ca -0.10 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1bv7 h THR 26 Cb 0.99 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1bv7 h THR 26 CO 0.46 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.23 1bv7 n GLY 27 N -0.36 -0.92 3.69 5.82 0.00 -1.26 -4.86 105.19 107.30 1bv7 n GLY 27 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1bv7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bv7 s ALA 28 N -2.45 3.62 0.23 4.61 0.00 -0.47 -4.92 121.76 122.38 1bv7 s ALA 28 Ca 0.30 -0.76 0.15 0.00 0.00 0.00 0.00 51.96 51.65 1bv7 s ALA 28 Cb 0.20 -2.17 0.58 0.00 0.00 0.00 0.00 23.12 21.72 1bv7 s ALA 28 CO 0.47 0.05 1.70 -0.44 0.00 0.00 0.00 175.76 177.54 1bv7 h ASP 29 N 6.94 0.00 -3.95 0.00 3.32 -1.89 0.37 116.42 121.22 1bv7 h ASP 29 Ca -0.39 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.19 1bv7 h ASP 29 Cb 1.16 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1bv7 h ASP 29 CO 0.72 0.46 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.11 1bv7 s ASP 30 N -6.63 2.26 0.00 6.45 1.01 -1.26 -2.58 116.67 115.93 1bv7 s ASP 30 Ca -0.01 -0.79 -0.25 0.00 0.71 0.00 0.00 52.55 52.21 1bv7 s ASP 30 Cb 0.12 -0.10 -0.05 0.00 1.01 0.00 0.00 42.92 43.90 1bv7 s ASP 30 CO 0.72 -0.08 0.75 -0.89 0.21 0.00 0.00 175.17 175.88 1bv7 s THR 31 N -1.91 4.85 -0.03 -1.27 2.01 -1.26 -3.63 115.64 114.40 1bv7 s THR 31 Ca 0.10 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1bv7 s THR 31 Cb -0.06 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1bv7 s THR 31 CO 0.04 0.32 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.58 1bv7 s VAL 32 N 0.29 0.32 0.04 3.82 1.01 0.36 -2.11 120.40 124.13 1bv7 s VAL 32 Ca 0.39 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1bv7 s VAL 32 Cb -0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1bv7 s VAL 32 CO 0.22 0.17 -0.17 -0.76 0.00 0.00 0.00 175.10 174.55 1bv7 s LEU 33 N 0.82 2.17 1.00 3.92 1.43 0.12 0.01 118.68 128.16 1bv7 s LEU 33 Ca -0.09 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1bv7 s LEU 33 Cb -0.12 -0.76 0.19 0.00 0.03 0.00 0.00 46.19 45.53 1bv7 s LEU 33 CO -0.01 0.08 1.09 -1.83 0.23 0.00 0.00 176.35 175.92 1bv7 s GLU 34 N -1.17 0.33 0.18 1.70 -1.05 -1.26 -0.51 118.70 116.91 1bv7 s GLU 34 Ca 0.04 1.16 -0.32 0.00 -0.15 0.00 0.00 54.97 55.70 1bv7 s GLU 34 Cb -0.08 -1.68 -0.12 0.00 -0.44 0.00 0.00 34.13 31.82 1bv7 s GLU 34 CO 0.02 -2.97 1.77 -1.91 0.95 0.00 0.00 175.26 173.11 1bv7 n GLU 35 N -4.43 2.81 -3.96 -4.83 4.07 -1.14 -4.42 120.64 108.73 1bv7 n GLU 35 Ca 0.08 1.01 -0.09 0.00 -0.06 0.00 0.00 57.16 58.10 1bv7 n GLU 35 Cb 0.53 -2.88 -0.05 0.00 -0.06 0.00 0.00 31.44 28.99 1bv7 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bv7 s MET 36 N 1.75 1.59 -0.21 5.31 0.23 -1.26 -5.03 119.30 121.68 1bv7 s MET 36 Ca 0.78 -1.18 -0.19 0.00 -1.03 0.00 0.00 55.69 54.06 1bv7 s MET 36 Cb -0.49 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.28 1bv7 s MET 36 CO 0.34 -0.68 0.54 -1.54 -2.03 0.00 0.00 175.02 171.65 1bv7 s SER 37 N -2.99 6.55 0.17 -1.18 1.04 -1.26 -5.06 113.70 110.97 1bv7 s SER 37 Ca 0.20 0.67 0.09 0.00 0.48 0.00 0.00 55.95 57.38 1bv7 s SER 37 Cb -0.02 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1bv7 s SER 37 CO 0.08 -0.22 -0.12 -0.76 0.98 0.00 0.00 173.24 173.20 1bv7 s LEU 38 N 1.84 2.89 0.35 2.42 1.43 -1.26 -4.95 118.68 121.40 1bv7 s LEU 38 Ca 0.24 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 1bv7 s LEU 38 Cb -0.15 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 1bv7 s LEU 38 CO 0.09 0.12 0.87 -2.16 0.23 0.00 0.00 176.35 175.51 1bv7 s PRO 39 N -2.66 4.27 0.00 1.29 0.04 -1.26 -4.93 135.00 131.74 1bv7 s PRO 39 Ca 0.23 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1bv7 s PRO 39 Cb -0.09 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1bv7 s PRO 39 CO 0.14 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1bv7 n GLY 40 N -0.11 -0.10 3.68 0.56 0.00 -1.26 -5.04 105.19 102.93 1bv7 n GLY 40 Ca 0.04 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 1bv7 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bv7 s ARG 41 N 0.00 2.25 0.20 1.61 1.70 -1.26 -5.13 118.95 118.31 1bv7 s ARG 41 Ca 0.00 -1.60 -0.20 0.00 -0.47 0.00 0.00 55.73 53.46 1bv7 s ARG 41 Cb 0.00 -2.08 0.04 0.00 -0.57 0.00 0.00 34.95 32.34 1bv7 s ARG 41 CO 0.00 0.16 0.57 1.67 -1.08 0.00 0.00 175.30 176.63 1bv7 s TRP 42 N -2.44 -0.25 0.06 5.89 1.48 -1.26 -4.69 118.94 117.72 1bv7 s TRP 42 Ca 0.36 -0.08 0.07 0.00 -1.06 0.00 0.00 56.10 55.39 1bv7 s TRP 42 Cb -0.02 0.49 -0.03 0.00 -1.16 0.00 0.00 33.47 32.74 1bv7 s TRP 42 CO 0.21 -0.95 -0.17 0.15 -4.06 0.00 0.00 176.95 172.13 1bv7 s LYS 43 N -3.85 2.03 0.34 3.25 1.02 0.01 -4.90 119.74 117.64 1bv7 s LYS 43 Ca 0.07 -1.02 -0.27 0.00 0.02 0.00 0.00 55.97 54.77 1bv7 s LYS 43 Cb -0.02 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 1bv7 s LYS 43 CO -0.04 0.53 1.09 -2.14 -0.92 0.00 0.00 175.35 173.86 1bv7 s PRO 44 N -1.64 4.40 0.17 -1.68 0.02 -1.26 0.54 135.00 135.54 1bv7 s PRO 44 Ca 0.16 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 1bv7 s PRO 44 Cb -0.11 -2.90 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 1bv7 s PRO 44 CO 0.07 0.02 0.28 0.21 -0.33 0.00 0.00 177.00 177.25 1bv7 s LYS 45 N -1.92 1.18 -0.00 5.54 2.20 0.14 -4.81 119.74 122.06 1bv7 s LYS 45 Ca 0.51 -1.22 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1bv7 s LYS 45 Cb -0.28 0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1bv7 s LYS 45 CO 0.36 -0.43 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.16 1bv7 s MET 46 N -3.99 0.98 0.13 4.03 -1.94 -1.26 0.61 119.30 117.87 1bv7 s MET 46 Ca 0.19 -0.47 0.05 0.00 -1.71 0.00 0.00 55.69 53.75 1bv7 s MET 46 Cb 0.03 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 1bv7 s MET 46 CO 0.02 0.26 -0.12 0.96 -0.01 0.00 0.00 175.02 176.13 1bv7 s ILE 47 N -0.35 1.19 0.28 2.53 -4.36 -0.43 -4.95 121.20 115.11 1bv7 s ILE 47 Ca 0.04 -1.84 0.08 0.00 -0.26 0.00 0.00 60.65 58.68 1bv7 s ILE 47 Cb -0.05 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 1bv7 s ILE 47 CO -0.00 -0.58 0.12 -0.83 0.24 0.00 0.00 174.94 173.89 1bv7 s GLY 48 N -2.74 1.64 0.00 6.27 0.00 -1.26 -0.28 107.32 110.95 1bv7 s GLY 48 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1bv7 s GLY 48 CO 0.02 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1bv7 n GLY 49 N -1.09 4.79 3.78 0.20 0.00 0.84 -4.95 105.19 108.76 1bv7 n GLY 49 Ca -0.06 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1bv7 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bv7 s ILE 50 N -1.04 2.19 0.00 -0.61 -1.09 -1.26 -2.77 121.20 116.63 1bv7 s ILE 50 Ca 0.00 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1bv7 s ILE 50 Cb 0.00 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1bv7 s ILE 50 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1bv7 n GLY 51 N 0.54 2.83 0.00 6.18 0.00 -1.26 -4.95 105.19 108.53 1bv7 n GLY 51 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1bv7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bv7 n GLY 52 N 0.00 -0.78 3.44 -0.02 0.00 -1.11 -5.11 105.19 101.61 1bv7 n GLY 52 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1bv7 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bv7 s PHE 53 N -3.00 2.47 0.13 1.61 0.40 -1.26 -0.11 117.98 118.22 1bv7 s PHE 53 Ca 0.00 -0.30 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1bv7 s PHE 53 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1bv7 s PHE 53 CO 0.00 0.31 -0.24 0.96 0.70 0.00 0.00 175.22 176.95 1bv7 s ILE 54 N -1.02 2.03 0.02 0.64 -4.36 0.61 -4.94 121.20 114.17 1bv7 s ILE 54 Ca 0.15 -1.71 -0.16 0.00 -0.26 0.00 0.00 60.65 58.67 1bv7 s ILE 54 Cb -0.10 -1.83 -0.06 0.00 1.25 0.00 0.00 42.46 41.71 1bv7 s ILE 54 CO 0.07 -0.01 0.45 -0.75 0.24 0.00 0.00 174.94 174.94 1bv7 s LYS 55 N -2.10 4.00 0.04 0.37 2.36 -1.26 -1.32 119.74 121.83 1bv7 s LYS 55 Ca 0.12 0.50 -0.10 0.00 -2.55 0.00 0.00 55.97 53.95 1bv7 s LYS 55 Cb -0.10 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 1bv7 s LYS 55 CO 0.06 0.68 0.20 0.54 1.55 0.00 0.00 175.35 178.37 1bv7 s VAL 56 N -1.08 0.11 -0.23 4.02 0.11 0.20 -4.61 120.40 118.93 1bv7 s VAL 56 Ca 0.25 -0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 1bv7 s VAL 56 Cb -0.17 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1bv7 s VAL 56 CO 0.15 -0.50 0.09 -0.13 -3.33 0.00 0.00 175.10 171.37 1bv7 s ARG 57 N -2.67 3.83 -0.31 1.54 3.00 -0.43 0.28 118.95 124.19 1bv7 s ARG 57 Ca -0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 55.73 55.07 1bv7 s ARG 57 Cb -0.01 -3.33 -0.00 0.00 0.00 0.00 0.00 34.95 31.61 1bv7 s ARG 57 CO -0.04 0.00 0.73 -1.14 0.00 0.00 0.00 175.30 174.85 1bv7 s GLN 58 N 1.13 3.92 -0.04 3.54 0.74 0.19 -1.26 119.66 127.87 1bv7 s GLN 58 Ca 0.05 0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.95 1bv7 s GLN 58 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1bv7 s GLN 58 CO 0.04 -0.65 -0.11 0.71 -0.55 0.00 0.00 175.29 174.72 1bv7 s TYR 59 N 2.84 2.79 0.31 1.67 1.51 -0.27 -0.81 117.35 125.38 1bv7 s TYR 59 Ca 0.30 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1bv7 s TYR 59 Cb -0.14 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1bv7 s TYR 59 CO 0.13 0.27 0.31 0.16 -1.11 0.00 0.00 175.55 175.30 1bv7 s ASP 60 N -0.93 1.13 -0.49 2.29 1.47 -1.26 -0.53 116.67 118.34 1bv7 s ASP 60 Ca 0.13 -1.59 -0.20 0.00 1.18 0.00 0.00 52.55 52.07 1bv7 s ASP 60 Cb -0.11 0.56 0.05 0.00 -0.34 0.00 0.00 42.92 43.07 1bv7 s ASP 60 CO 0.02 -1.09 0.68 -1.10 0.68 0.00 0.00 175.17 174.36 1bv7 s GLN 61 N -3.49 3.20 -0.07 2.11 -1.52 -1.26 -4.97 119.66 113.66 1bv7 s GLN 61 Ca 0.37 -0.65 -0.18 0.00 -1.95 0.00 0.00 55.36 52.96 1bv7 s GLN 61 Cb 0.02 -4.05 -0.05 0.00 -0.22 0.00 0.00 33.01 28.72 1bv7 s GLN 61 CO 0.22 -1.20 0.47 0.42 -0.25 0.00 0.00 175.29 174.95 1bv7 s ILE 62 N 2.89 5.10 0.07 1.08 -1.09 0.15 -4.67 121.20 124.73 1bv7 s ILE 62 Ca 0.20 0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1bv7 s ILE 62 Cb -0.17 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1bv7 s ILE 62 CO 0.15 0.41 1.09 -0.22 -1.23 0.00 0.00 174.94 175.13 1bv7 s LEU 63 N 0.05 4.40 -0.02 2.97 1.98 -1.26 -1.89 118.68 124.92 1bv7 s LEU 63 Ca 0.26 1.89 0.02 0.00 -2.89 0.00 0.00 54.13 53.41 1bv7 s LEU 63 Cb -0.16 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.11 1bv7 s LEU 63 CO 0.12 -0.32 -0.08 -0.51 -1.89 0.00 0.00 176.35 173.68 1bv7 s ILE 64 N 0.70 0.66 -0.17 6.68 2.07 -0.33 -4.42 121.20 126.40 1bv7 s ILE 64 Ca 0.54 -0.30 -0.04 0.00 -1.41 0.00 0.00 60.65 59.44 1bv7 s ILE 64 Cb -0.26 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1bv7 s ILE 64 CO 0.30 0.21 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.89 1bv7 s GLU 65 N 0.15 3.61 -0.17 3.50 2.02 -0.12 -1.59 118.70 126.11 1bv7 s GLU 65 Ca -0.02 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 1bv7 s GLU 65 Cb -0.07 -2.92 0.04 0.00 0.10 0.00 0.00 34.13 31.27 1bv7 s GLU 65 CO 0.00 0.17 -0.08 0.42 0.02 0.00 0.00 175.26 175.79 1bv7 s ILE 66 N 0.56 1.29 0.00 -1.63 1.01 0.12 -0.07 121.20 122.48 1bv7 s ILE 66 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1bv7 s ILE 66 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1bv7 s ILE 66 CO 0.03 0.20 0.00 0.00 0.00 0.00 0.00 174.94 175.17 1bv7 n GLY 68 N 0.00 -1.40 3.71 0.00 0.00 -1.26 -4.91 105.19 101.32 1bv7 n GLY 68 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1bv7 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bv7 s HIS 69 N -3.02 3.46 0.28 1.61 4.02 -0.03 -5.02 115.29 116.60 1bv7 s HIS 69 Ca 0.12 0.78 -0.17 0.00 1.02 0.00 0.00 55.06 56.82 1bv7 s HIS 69 Cb 0.18 -2.53 -0.09 0.00 -1.02 0.00 0.00 32.58 29.12 1bv7 s HIS 69 CO 0.62 0.11 0.73 0.15 1.02 0.00 0.00 174.74 177.36 1bv7 s LYS 70 N 0.86 4.10 0.12 1.40 1.02 -1.26 0.14 119.74 126.12 1bv7 s LYS 70 Ca 0.23 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 56.81 1bv7 s LYS 70 Cb -0.15 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1bv7 s LYS 70 CO 0.09 0.26 0.38 0.00 -0.92 0.00 0.00 175.35 175.15 1bv7 s ALA 71 N -1.80 -0.84 -0.04 5.17 0.00 -0.62 -4.89 121.76 118.75 1bv7 s ALA 71 Ca 0.49 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1bv7 s ALA 71 Cb -0.13 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1bv7 s ALA 71 CO 0.19 -0.64 -0.09 0.42 0.00 0.00 0.00 175.76 175.65 1bv7 s ILE 72 N -3.82 0.79 0.00 0.00 1.01 -1.26 -1.18 121.20 116.74 1bv7 s ILE 72 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1bv7 s ILE 72 Cb 0.02 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1bv7 s ILE 72 CO -0.11 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1bv7 n GLY 73 N 3.52 0.89 3.71 6.18 0.00 -0.79 -4.90 105.19 113.79 1bv7 n GLY 73 Ca -0.20 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1bv7 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bv7 s THR 74 N -2.28 4.54 0.11 2.61 2.01 -1.26 0.35 115.64 121.71 1bv7 s THR 74 Ca 0.00 1.82 0.10 0.00 0.31 0.00 0.00 61.69 63.92 1bv7 s THR 74 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1bv7 s THR 74 CO 0.00 0.13 -0.25 0.68 -0.69 0.00 0.00 174.62 174.49 1bv7 s VAL 75 N 1.14 2.03 -0.03 3.82 -7.23 0.31 -4.56 120.40 115.88 1bv7 s VAL 75 Ca 0.54 -1.63 0.07 0.00 -1.81 0.00 0.00 61.98 59.15 1bv7 s VAL 75 Cb -0.24 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1bv7 s VAL 75 CO 0.28 0.06 -0.24 -0.76 -0.31 0.00 0.00 175.10 174.13 1bv7 s LEU 76 N -1.91 2.18 -0.05 1.32 1.43 -0.90 -1.12 118.68 119.64 1bv7 s LEU 76 Ca 0.11 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1bv7 s LEU 76 Cb -0.10 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1bv7 s LEU 76 CO 0.05 0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 1bv7 s VAL 77 N -0.53 2.58 0.00 -1.59 1.01 -0.39 0.12 120.40 121.61 1bv7 s VAL 77 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1bv7 s VAL 77 Cb -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1bv7 s VAL 77 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1bv7 n GLY 78 N 2.59 0.64 2.83 4.51 0.00 0.33 -1.32 105.19 114.77 1bv7 n GLY 78 Ca -0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1bv7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bv7 n PRO 79 N 0.00 3.65 -3.97 1.61 -0.04 -1.26 -2.90 135.00 132.09 1bv7 n PRO 79 Ca 0.00 -3.48 -0.34 0.00 -0.04 0.00 0.00 63.50 59.64 1bv7 n PRO 79 Cb 0.00 -2.92 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 1bv7 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bv7 s THR 80 N 0.40 5.23 0.54 0.52 -1.32 -1.26 -4.99 115.64 114.76 1bv7 s THR 80 Ca 0.41 -0.11 0.27 0.00 -1.21 0.00 0.00 61.69 61.04 1bv7 s THR 80 Cb 0.10 -3.37 0.32 0.00 -1.51 0.00 0.00 72.50 68.05 1bv7 s THR 80 CO -0.01 0.43 2.19 -0.65 -2.21 0.00 0.00 174.62 174.38 1bv7 h PRO 81 N 4.30 0.00 -3.74 7.08 0.11 -1.99 -3.43 132.00 134.33 1bv7 h PRO 81 Ca -0.51 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1bv7 h PRO 81 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1bv7 h PRO 81 CO 0.63 0.04 -0.40 -0.06 -0.21 0.00 0.00 178.00 178.00 1bv7 s PHE 82 N -4.58 0.13 -0.06 0.65 0.08 -1.26 -5.04 117.98 107.90 1bv7 s PHE 82 Ca -0.04 -0.49 -0.28 0.00 0.12 0.00 0.00 56.93 56.24 1bv7 s PHE 82 Cb 0.15 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.51 1bv7 s PHE 82 CO 0.58 -0.49 0.91 -0.80 -0.10 0.00 0.00 175.22 175.32 1bv7 s ASN 83 N -2.55 7.21 -0.14 1.36 0.01 -1.26 -4.50 114.94 115.07 1bv7 s ASN 83 Ca 0.01 1.47 0.01 0.00 -0.71 0.00 0.00 52.86 53.64 1bv7 s ASN 83 Cb 0.03 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 1bv7 s ASN 83 CO -0.08 -0.30 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.42 1bv7 s ILE 84 N 1.39 2.64 -0.41 0.60 1.01 0.10 -0.43 121.20 126.10 1bv7 s ILE 84 Ca 0.46 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 1bv7 s ILE 84 Cb -0.19 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1bv7 s ILE 84 CO 0.21 0.52 0.44 -0.63 0.00 0.00 0.00 174.94 175.49 1bv7 s ILE 85 N 0.64 5.08 0.19 2.92 -1.09 -0.04 -0.49 121.20 128.41 1bv7 s ILE 85 Ca -0.09 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1bv7 s ILE 85 Cb -0.16 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1bv7 s ILE 85 CO 0.03 -0.37 0.27 0.61 -1.23 0.00 0.00 174.94 174.24 1bv7 n GLY 86 N 5.06 1.55 0.26 6.18 0.00 -1.24 -1.13 105.19 115.88 1bv7 n GLY 86 Ca -0.07 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1bv7 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bv7 h ARG 87 N 0.00 0.00 -0.59 1.61 3.08 -0.33 -1.44 114.38 116.72 1bv7 h ARG 87 Ca -0.09 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1bv7 h ARG 87 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1bv7 h ARG 87 CO 0.12 0.12 0.39 -2.95 -1.07 0.00 0.00 179.97 176.57 1bv7 h ASN 88 N 0.00 0.66 0.88 7.04 -1.07 -1.74 -2.14 115.58 119.22 1bv7 h ASN 88 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 56.30 56.31 1bv7 h ASN 88 Cb 0.31 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.39 1bv7 h ASN 88 CO 0.02 0.48 -1.15 0.18 0.07 0.00 0.00 177.43 177.02 1bv7 n LEU 89 N -4.45 0.82 0.16 6.14 4.77 -0.71 -4.25 117.00 119.48 1bv7 n LEU 89 Ca 0.06 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1bv7 n LEU 89 Cb 0.05 -0.02 0.31 0.00 -2.33 0.00 0.00 43.42 41.44 1bv7 n LEU 89 CO 0.36 -0.10 0.68 -0.07 -1.33 0.00 0.00 177.39 176.94 1bv7 h LEU 90 N 0.00 0.04 -1.61 2.23 3.38 -0.80 0.61 115.31 119.16 1bv7 h LEU 90 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1bv7 h LEU 90 Cb 1.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1bv7 h LEU 90 CO 0.01 0.44 -0.20 0.71 0.09 0.00 0.00 178.44 179.49 1bv7 h THR 91 N 0.03 0.77 0.00 0.22 1.35 -1.58 -1.57 112.91 112.12 1bv7 h THR 91 Ca -0.00 -0.81 -0.13 0.00 -0.55 0.00 0.00 66.41 64.92 1bv7 h THR 91 Cb 0.74 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1bv7 h THR 91 CO 0.05 0.20 -0.68 1.56 -0.25 0.00 0.00 175.52 176.41 1bv7 h GLN 92 N 0.00 0.00 -0.57 4.72 4.20 -1.06 -2.31 115.11 120.09 1bv7 h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bv7 h GLN 92 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1bv7 h GLN 92 CO 0.03 0.57 0.00 0.44 -0.67 0.00 0.00 178.83 179.20 1bv7 n ILE 93 N -3.22 0.90 -1.26 2.54 -5.35 -1.07 -4.95 119.36 106.95 1bv7 n ILE 93 Ca 0.01 -0.78 -0.02 0.00 -0.27 0.00 0.00 62.75 61.69 1bv7 n ILE 93 Cb 0.78 0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 38.96 1bv7 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bv7 n GLY 94 N 1.27 0.48 3.71 3.28 0.00 -0.87 -5.00 105.19 108.06 1bv7 n GLY 94 Ca 0.19 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1bv7 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bv7 s THR 96 N 1.20 3.13 -0.15 0.00 -4.23 -1.26 -4.74 115.64 109.59 1bv7 s THR 96 Ca 0.56 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1bv7 s THR 96 Cb -0.26 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1bv7 s THR 96 CO 0.28 -0.36 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.72 1bv7 s LEU 97 N -3.54 3.06 -0.09 4.79 2.96 -1.26 -5.08 118.68 119.52 1bv7 s LEU 97 Ca 0.30 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1bv7 s LEU 97 Cb -0.06 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.92 1bv7 s LEU 97 CO 0.18 0.16 -0.07 0.20 -1.32 0.00 0.00 176.35 175.50 1bv7 s ASN 98 N 0.42 1.93 0.00 3.68 0.01 -1.26 -5.30 114.94 114.43 1bv7 s ASN 98 Ca -0.06 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1bv7 s ASN 98 Cb -0.15 -0.75 0.00 0.00 0.41 0.00 0.00 41.25 40.76 1bv7 s ASN 98 CO 0.04 -0.10 0.14 2.22 -1.51 0.00 0.00 177.10 177.89