#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bv9 s GLN 2 N 0.00 3.76 -0.10 0.54 0.74 -1.26 -5.09 119.66 118.25 1bv9 s GLN 2 Ca 0.00 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1bv9 s GLN 2 Cb 0.00 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.81 1bv9 s GLN 2 CO 0.00 0.57 -0.15 0.08 -0.55 0.00 0.00 175.29 175.25 1bv9 s VAL 3 N -0.43 2.96 0.51 1.34 1.01 -1.26 -5.12 120.40 119.42 1bv9 s VAL 3 Ca 0.12 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1bv9 s VAL 3 Cb -0.12 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1bv9 s VAL 3 CO 0.01 0.55 0.77 0.42 0.00 0.00 0.00 175.10 176.85 1bv9 s THR 4 N -0.05 3.72 -0.21 3.92 -4.23 -1.26 -5.01 115.64 112.51 1bv9 s THR 4 Ca -0.03 -0.33 0.15 0.00 -1.18 0.00 0.00 61.69 60.30 1bv9 s THR 4 Cb -0.14 -3.42 0.65 0.00 1.34 0.00 0.00 72.50 70.93 1bv9 s THR 4 CO 0.04 -0.35 1.57 0.18 -0.54 0.00 0.00 174.62 175.52 1bv9 n LEU 5 N -2.30 4.72 0.18 4.79 4.77 -1.26 -4.22 117.00 123.67 1bv9 n LEU 5 Ca 0.03 -3.03 0.14 0.00 -0.03 0.00 0.00 56.01 53.12 1bv9 n LEU 5 Cb 0.58 -0.61 0.59 0.00 -2.33 0.00 0.00 43.42 41.64 1bv9 n LEU 5 CO 0.49 0.69 0.90 -0.50 -1.33 0.00 0.00 177.39 177.64 1bv9 h TRP 6 N 2.62 0.00 -3.20 -1.77 4.06 -2.06 -3.43 115.95 112.16 1bv9 h TRP 6 Ca 0.03 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.59 1bv9 h TRP 6 Cb 1.71 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.73 1bv9 h TRP 6 CO 0.78 0.00 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.32 1bv9 s GLN 7 N -3.47 1.27 0.26 0.49 1.11 -1.26 -5.09 119.66 112.96 1bv9 s GLN 7 Ca 0.02 -1.60 -0.31 0.00 0.01 0.00 0.00 55.36 53.49 1bv9 s GLN 7 Cb 0.09 -0.75 -0.11 0.00 -1.01 0.00 0.00 33.01 31.23 1bv9 s GLN 7 CO 0.40 0.02 1.60 1.03 0.01 0.00 0.00 175.29 178.34 1bv9 s ARG 8 N -3.78 4.15 -1.25 2.91 0.52 -1.26 -4.86 118.95 115.38 1bv9 s ARG 8 Ca 0.24 2.53 -0.18 0.00 -0.52 0.00 0.00 55.73 57.79 1bv9 s ARG 8 Cb 0.04 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.52 1bv9 s ARG 8 CO 0.06 -0.63 1.67 -1.25 0.02 0.00 0.00 175.30 175.17 1bv9 s PRO 9 N 0.04 3.94 -0.09 3.54 0.04 -1.26 -4.96 135.00 136.26 1bv9 s PRO 9 Ca 0.66 -1.93 -0.12 0.00 0.04 0.00 0.00 61.00 59.65 1bv9 s PRO 9 Cb -0.47 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.55 1bv9 s PRO 9 CO 0.42 -2.20 0.28 -0.51 0.04 0.00 0.00 177.00 175.03 1bv9 s LEU 10 N 4.08 4.38 0.09 -3.56 1.02 -1.26 -1.03 118.68 122.40 1bv9 s LEU 10 Ca 0.52 0.67 0.06 0.00 0.02 0.00 0.00 54.13 55.39 1bv9 s LEU 10 Cb 0.03 -2.35 -0.03 0.00 0.02 0.00 0.00 46.19 43.86 1bv9 s LEU 10 CO 0.05 0.29 -0.16 0.54 0.02 0.00 0.00 176.35 177.09 1bv9 s VAL 11 N -0.64 1.32 0.01 -1.59 0.11 0.92 -4.92 120.40 115.62 1bv9 s VAL 11 Ca 0.19 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.45 1bv9 s VAL 11 Cb -0.14 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 1bv9 s VAL 11 CO 0.07 -0.24 1.00 -0.89 -3.33 0.00 0.00 175.10 171.72 1bv9 s THR 12 N -1.50 4.75 0.24 5.04 2.01 -1.26 0.05 115.64 124.96 1bv9 s THR 12 Ca 0.03 1.99 0.11 0.00 0.31 0.00 0.00 61.69 64.14 1bv9 s THR 12 Cb -0.09 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 1bv9 s THR 12 CO 0.03 0.16 -0.21 0.27 -0.69 0.00 0.00 174.62 174.18 1bv9 s ILE 13 N 0.95 2.34 -0.14 1.82 -4.36 0.85 -0.98 121.20 121.68 1bv9 s ILE 13 Ca 0.52 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.70 1bv9 s ILE 13 Cb -0.22 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.32 1bv9 s ILE 13 CO 0.28 -0.30 -0.16 -0.75 0.24 0.00 0.00 174.94 174.25 1bv9 s LYS 14 N -3.17 2.37 -0.02 0.37 2.36 0.34 -1.53 119.74 120.47 1bv9 s LYS 14 Ca 0.25 -0.60 -0.00 0.00 -2.55 0.00 0.00 55.97 53.07 1bv9 s LYS 14 Cb -0.06 -2.09 0.03 0.00 -1.05 0.00 0.00 37.83 34.66 1bv9 s LYS 14 CO 0.12 -0.16 0.03 0.42 1.55 0.00 0.00 175.35 177.32 1bv9 s ILE 15 N 1.25 -0.05 -1.74 5.43 1.09 -0.20 -0.86 121.20 126.12 1bv9 s ILE 15 Ca -0.00 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 1bv9 s ILE 15 Cb -0.14 -0.10 0.00 0.00 -1.06 0.00 0.00 42.46 41.16 1bv9 s ILE 15 CO -0.07 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 1bv9 n GLY 16 N 4.32 -0.46 2.41 6.18 0.00 -1.26 -0.75 105.19 115.63 1bv9 n GLY 16 Ca -0.25 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1bv9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bv9 n GLY 17 N -1.02 0.32 3.34 -0.02 0.00 -1.26 -5.01 105.19 101.55 1bv9 n GLY 17 Ca -0.24 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1bv9 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bv9 s GLN 18 N -4.48 1.29 -0.14 1.61 -0.21 0.07 -5.14 119.66 112.66 1bv9 s GLN 18 Ca 0.00 -1.32 -0.04 0.00 0.02 0.00 0.00 55.36 54.02 1bv9 s GLN 18 Cb 0.00 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 1bv9 s GLN 18 CO 0.00 0.36 0.00 -0.51 -2.12 0.00 0.00 175.29 173.02 1bv9 s LEU 19 N -2.23 3.51 0.09 2.90 1.02 -1.26 -1.03 118.68 121.68 1bv9 s LEU 19 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 1bv9 s LEU 19 Cb -0.09 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1bv9 s LEU 19 CO 0.06 0.24 -0.00 -0.54 0.02 0.00 0.00 176.35 176.12 1bv9 s LYS 20 N -0.02 0.77 0.03 1.70 3.01 -0.58 -4.99 119.74 119.66 1bv9 s LYS 20 Ca 0.03 -1.32 0.02 0.00 -1.01 0.00 0.00 55.97 53.69 1bv9 s LYS 20 Cb -0.13 0.15 -0.04 0.00 -1.01 0.00 0.00 37.83 36.81 1bv9 s LYS 20 CO 0.02 -0.15 0.02 -1.21 0.51 0.00 0.00 175.35 174.53 1bv9 s GLU 21 N -3.95 2.76 0.06 1.68 2.02 -1.26 -0.11 118.70 119.90 1bv9 s GLU 21 Ca 0.14 -0.66 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 1bv9 s GLU 21 Cb 0.07 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 1bv9 s GLU 21 CO -0.05 0.60 0.10 0.00 0.02 0.00 0.00 175.26 175.93 1bv9 s ALA 22 N -1.19 0.02 -0.05 5.21 0.00 0.11 -4.56 121.76 121.30 1bv9 s ALA 22 Ca 0.23 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 1bv9 s ALA 22 Cb -0.12 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1bv9 s ALA 22 CO 0.14 -0.41 0.35 -0.51 0.00 0.00 0.00 175.76 175.33 1bv9 s LEU 23 N -2.61 4.42 -0.39 0.00 1.43 0.55 -0.05 118.68 122.02 1bv9 s LEU 23 Ca 0.02 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1bv9 s LEU 23 Cb 0.04 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1bv9 s LEU 23 CO -0.08 0.29 1.07 -0.76 0.23 0.00 0.00 176.35 177.10 1bv9 s LEU 24 N -0.78 3.83 -0.32 1.79 1.43 -0.20 -0.93 118.68 123.50 1bv9 s LEU 24 Ca 0.21 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1bv9 s LEU 24 Cb -0.15 -3.49 0.10 0.00 0.03 0.00 0.00 46.19 42.67 1bv9 s LEU 24 CO 0.10 -1.02 0.06 -0.62 0.23 0.00 0.00 176.35 175.10 1bv9 s ASP 25 N 2.00 4.46 0.56 2.29 -1.08 0.45 -4.85 116.67 120.50 1bv9 s ASP 25 Ca 0.45 -1.91 0.33 0.00 -0.52 0.00 0.00 52.55 50.89 1bv9 s ASP 25 Cb -0.10 -1.33 1.66 0.00 -1.46 0.00 0.00 42.92 41.68 1bv9 s ASP 25 CO 0.22 -0.38 2.12 0.71 0.52 0.00 0.00 175.17 178.36 1bv9 h THR 26 N 6.57 0.31 -0.05 1.71 1.35 -1.94 -1.98 112.91 118.89 1bv9 h THR 26 Ca -0.08 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1bv9 h THR 26 Cb 1.02 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1bv9 h THR 26 CO 0.50 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1bv9 n GLY 27 N -0.61 -0.27 3.54 5.82 0.00 -1.26 -4.79 105.19 107.62 1bv9 n GLY 27 Ca -0.02 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1bv9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bv9 s ALA 28 N -1.95 3.33 0.23 4.61 0.00 -0.74 -4.94 121.76 122.30 1bv9 s ALA 28 Ca 0.38 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1bv9 s ALA 28 Cb 0.19 -2.14 0.21 0.00 0.00 0.00 0.00 23.12 21.39 1bv9 s ALA 28 CO 0.31 -0.30 1.54 -0.44 0.00 0.00 0.00 175.76 176.87 1bv9 h ASP 29 N 7.79 0.29 -2.88 0.00 3.32 -1.87 0.33 116.42 123.41 1bv9 h ASP 29 Ca -0.37 -0.18 -0.64 0.00 0.02 0.00 0.00 57.03 55.87 1bv9 h ASP 29 Cb 1.18 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.47 1bv9 h ASP 29 CO 0.61 0.85 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.37 1bv9 s ASP 30 N -6.90 3.56 0.06 6.45 1.01 -1.26 -2.17 116.67 117.42 1bv9 s ASP 30 Ca -0.04 -0.89 -0.26 0.00 0.71 0.00 0.00 52.55 52.08 1bv9 s ASP 30 Cb 0.12 -0.31 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 1bv9 s ASP 30 CO 0.80 0.09 0.79 -0.89 0.21 0.00 0.00 175.17 176.18 1bv9 s THR 31 N -1.92 4.68 -0.03 -1.27 2.01 -1.26 -3.92 115.64 113.93 1bv9 s THR 31 Ca 0.24 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.91 1bv9 s THR 31 Cb -0.07 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1bv9 s THR 31 CO 0.12 0.37 0.07 0.54 -0.69 0.00 0.00 174.62 175.03 1bv9 s VAL 32 N -0.11 -0.02 0.14 3.82 0.11 -0.44 -1.82 120.40 122.08 1bv9 s VAL 32 Ca 0.39 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 1bv9 s VAL 32 Cb -0.21 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1bv9 s VAL 32 CO 0.24 0.03 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.08 1bv9 s LEU 33 N 0.38 2.38 0.70 2.54 1.02 0.50 -0.52 118.68 125.67 1bv9 s LEU 33 Ca -0.03 -0.79 -0.13 0.00 0.02 0.00 0.00 54.13 53.20 1bv9 s LEU 33 Cb -0.04 -0.84 0.02 0.00 0.02 0.00 0.00 46.19 45.35 1bv9 s LEU 33 CO -0.01 -0.00 1.11 -0.70 0.02 0.00 0.00 176.35 176.76 1bv9 s GLU 34 N -2.43 2.57 -0.12 1.70 -6.30 -1.26 -0.16 118.70 112.71 1bv9 s GLU 34 Ca 0.12 1.34 -0.41 0.00 -2.50 0.00 0.00 54.97 53.52 1bv9 s GLU 34 Cb -0.07 -1.93 -0.19 0.00 0.00 0.00 0.00 34.13 31.94 1bv9 s GLU 34 CO 0.05 -1.42 1.33 -1.91 0.02 0.00 0.00 175.26 173.33 1bv9 n GLU 35 N -2.81 0.42 -3.83 4.30 4.07 -0.93 -4.35 120.64 117.51 1bv9 n GLU 35 Ca 0.10 0.15 -0.05 0.00 -0.06 0.00 0.00 57.16 57.30 1bv9 n GLU 35 Cb 0.52 -1.71 0.01 0.00 -0.06 0.00 0.00 31.44 30.20 1bv9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bv9 s MET 36 N 1.16 1.58 -0.47 5.31 0.23 -1.26 -4.97 119.30 120.88 1bv9 s MET 36 Ca 0.93 -0.98 -0.19 0.00 -1.03 0.00 0.00 55.69 54.43 1bv9 s MET 36 Cb -1.22 0.47 0.04 0.00 -1.53 0.00 0.00 34.83 32.59 1bv9 s MET 36 CO 0.61 -0.74 0.55 -1.12 -2.03 0.00 0.00 175.02 172.29 1bv9 s SER 37 N -3.16 6.23 0.06 -1.18 0.01 -1.26 -5.03 113.70 109.36 1bv9 s SER 37 Ca 0.17 -0.77 0.07 0.00 1.31 0.00 0.00 55.95 56.73 1bv9 s SER 37 Cb -0.03 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1bv9 s SER 37 CO 0.06 -0.76 -0.15 -0.76 0.41 0.00 0.00 173.24 172.05 1bv9 s LEU 38 N 2.44 2.79 0.48 2.44 1.43 -1.26 -4.98 118.68 122.02 1bv9 s LEU 38 Ca 0.15 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 1bv9 s LEU 38 Cb -0.18 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1bv9 s LEU 38 CO 0.13 0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.82 1bv9 s PRO 39 N -1.71 3.82 0.00 1.29 0.04 -1.26 -4.94 135.00 132.24 1bv9 s PRO 39 Ca 0.17 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1bv9 s PRO 39 Cb -0.11 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1bv9 s PRO 39 CO 0.08 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1bv9 n GLY 40 N -0.23 -1.02 3.74 0.56 0.00 -1.26 -4.97 105.19 102.01 1bv9 n GLY 40 Ca 0.09 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 1bv9 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bv9 s ARG 41 N 0.00 4.36 0.24 1.61 3.52 -1.26 -5.06 118.95 122.35 1bv9 s ARG 41 Ca 0.00 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 1bv9 s ARG 41 Cb 0.00 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 1bv9 s ARG 41 CO 0.00 0.21 0.02 1.67 -0.81 0.00 0.00 175.30 176.39 1bv9 s TRP 42 N 0.38 1.58 0.08 5.12 1.48 -1.26 -4.50 118.94 121.82 1bv9 s TRP 42 Ca 0.31 -0.97 0.07 0.00 -1.06 0.00 0.00 56.10 54.44 1bv9 s TRP 42 Cb -0.17 -0.93 -0.03 0.00 -1.16 0.00 0.00 33.47 31.18 1bv9 s TRP 42 CO 0.15 -0.09 -0.17 0.15 -4.06 0.00 0.00 176.95 172.92 1bv9 s LYS 43 N -3.90 0.99 0.81 3.25 1.02 0.53 -4.91 119.74 117.53 1bv9 s LYS 43 Ca 0.31 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 1bv9 s LYS 43 Cb 0.06 -1.11 0.08 0.00 -0.52 0.00 0.00 37.83 36.34 1bv9 s LYS 43 CO 0.10 0.26 1.20 -2.14 -0.92 0.00 0.00 175.35 173.85 1bv9 s PRO 44 N -1.73 1.64 -0.06 -1.68 0.02 -1.26 0.68 135.00 132.61 1bv9 s PRO 44 Ca 0.02 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 1bv9 s PRO 44 Cb -0.10 -1.78 0.10 0.00 0.02 0.00 0.00 34.50 32.75 1bv9 s PRO 44 CO 0.03 -2.21 0.88 0.21 -0.33 0.00 0.00 177.00 175.58 1bv9 s LYS 45 N -4.17 0.80 -0.06 5.54 2.20 -0.32 -4.62 119.74 119.11 1bv9 s LYS 45 Ca 0.73 -0.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.34 1bv9 s LYS 45 Cb -0.28 0.37 -0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1bv9 s LYS 45 CO 0.51 -0.30 -0.20 1.41 -0.36 0.00 0.00 175.35 176.41 1bv9 s MET 46 N -2.03 2.20 0.34 4.03 1.75 -1.26 0.62 119.30 124.94 1bv9 s MET 46 Ca -0.01 -0.72 0.09 0.00 -1.25 0.00 0.00 55.69 53.81 1bv9 s MET 46 Cb -0.01 -1.83 -0.06 0.00 2.84 0.00 0.00 34.83 35.77 1bv9 s MET 46 CO -0.02 0.25 -0.07 0.96 -0.65 0.00 0.00 175.02 175.50 1bv9 s ILE 47 N 0.09 2.38 0.08 10.11 -4.36 0.07 -4.93 121.20 124.63 1bv9 s ILE 47 Ca -0.07 -2.14 0.05 0.00 -0.26 0.00 0.00 60.65 58.23 1bv9 s ILE 47 Cb -0.14 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 1bv9 s ILE 47 CO 0.04 -0.21 -0.04 -0.83 0.24 0.00 0.00 174.94 174.14 1bv9 s GLY 48 N -3.64 1.86 0.00 6.27 0.00 -1.26 -0.34 107.32 110.21 1bv9 s GLY 48 Ca 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1bv9 s GLY 48 CO 0.17 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.79 1bv9 n GLY 49 N 0.78 3.60 3.81 0.20 0.00 0.12 -4.96 105.19 108.74 1bv9 n GLY 49 Ca -0.12 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 1bv9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bv9 s ILE 50 N -2.20 4.86 0.00 -0.61 1.01 -1.26 -3.46 121.20 119.54 1bv9 s ILE 50 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1bv9 s ILE 50 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1bv9 s ILE 50 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1bv9 n GLY 51 N 1.84 2.97 0.00 6.18 0.00 -1.26 -4.97 105.19 109.95 1bv9 n GLY 51 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1bv9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bv9 n GLY 52 N 0.00 -0.63 3.51 -0.02 0.00 -1.22 -5.12 105.19 101.71 1bv9 n GLY 52 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1bv9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bv9 s PHE 53 N -4.00 2.59 0.08 1.61 0.40 -1.26 0.11 117.98 117.51 1bv9 s PHE 53 Ca 0.00 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 1bv9 s PHE 53 Cb 0.00 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1bv9 s PHE 53 CO 0.00 0.38 -0.15 0.96 0.70 0.00 0.00 175.22 177.11 1bv9 s ILE 54 N -1.13 1.17 -0.04 0.64 -4.36 0.54 -4.94 121.20 113.07 1bv9 s ILE 54 Ca 0.18 -1.36 -0.24 0.00 -0.26 0.00 0.00 60.65 58.97 1bv9 s ILE 54 Cb -0.11 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 1bv9 s ILE 54 CO 0.10 -0.23 0.72 -0.75 0.24 0.00 0.00 174.94 175.02 1bv9 s LYS 55 N -1.84 4.45 0.19 0.37 2.36 -1.26 -0.75 119.74 123.25 1bv9 s LYS 55 Ca -0.00 0.93 -0.02 0.00 -2.55 0.00 0.00 55.97 54.32 1bv9 s LYS 55 Cb -0.09 -3.43 -0.04 0.00 -1.05 0.00 0.00 37.83 33.22 1bv9 s LYS 55 CO 0.02 0.11 0.15 0.54 1.55 0.00 0.00 175.35 177.71 1bv9 s VAL 56 N 0.64 0.02 -0.19 4.02 0.11 0.20 -4.57 120.40 120.63 1bv9 s VAL 56 Ca 0.38 -1.93 -0.01 0.00 -2.93 0.00 0.00 61.98 57.49 1bv9 s VAL 56 Cb -0.18 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 1bv9 s VAL 56 CO 0.19 -0.08 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.63 1bv9 s ARG 57 N -4.13 3.24 -0.22 1.54 0.52 -0.63 -1.18 118.95 118.10 1bv9 s ARG 57 Ca 0.35 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.63 1bv9 s ARG 57 Cb 0.06 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1bv9 s ARG 57 CO 0.10 -0.11 0.68 -1.14 0.02 0.00 0.00 175.30 174.85 1bv9 s GLN 58 N 1.16 4.19 -0.08 3.54 0.74 0.22 -1.48 119.66 127.94 1bv9 s GLN 58 Ca 0.01 0.69 0.03 0.00 0.05 0.00 0.00 55.36 56.15 1bv9 s GLN 58 Cb -0.14 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 1bv9 s GLN 58 CO -0.04 -0.34 -0.19 0.71 -0.55 0.00 0.00 175.29 174.88 1bv9 s TYR 59 N 2.25 2.62 -0.05 1.67 1.51 -0.81 -0.34 117.35 124.20 1bv9 s TYR 59 Ca 0.30 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1bv9 s TYR 59 Cb -0.16 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1bv9 s TYR 59 CO 0.10 -0.15 0.05 -0.51 -1.11 0.00 0.00 175.55 173.92 1bv9 s ASP 60 N -0.07 5.51 -1.24 2.29 1.11 -1.26 -1.47 116.67 121.55 1bv9 s ASP 60 Ca -0.04 0.16 -0.01 0.00 0.18 0.00 0.00 52.55 52.84 1bv9 s ASP 60 Cb -0.14 -1.58 -0.00 0.00 1.07 0.00 0.00 42.92 42.26 1bv9 s ASP 60 CO 0.04 0.33 0.86 0.00 1.18 0.00 0.00 175.17 177.58 1bv9 n GLN 61 N 1.68 -5.46 -3.19 8.23 1.13 -0.57 -4.89 117.38 114.31 1bv9 n GLN 61 Ca -0.16 0.74 -0.39 0.00 -1.94 0.00 0.00 57.00 55.25 1bv9 n GLN 61 Cb 0.53 -5.52 -0.06 0.00 0.11 0.00 0.00 30.24 25.31 1bv9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bv9 s ILE 62 N -3.50 4.80 -0.02 5.09 -1.09 0.93 -4.70 121.20 122.70 1bv9 s ILE 62 Ca 0.04 1.30 -0.23 0.00 -2.23 0.00 0.00 60.65 59.53 1bv9 s ILE 62 Cb -0.01 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1bv9 s ILE 62 CO 0.77 0.47 0.69 -0.22 -1.23 0.00 0.00 174.94 175.42 1bv9 s LEU 63 N -0.54 4.37 -0.01 2.97 1.98 -1.26 -0.44 118.68 125.74 1bv9 s LEU 63 Ca 0.31 1.25 0.04 0.00 -2.89 0.00 0.00 54.13 52.84 1bv9 s LEU 63 Cb -0.19 -3.08 -0.01 0.00 0.66 0.00 0.00 46.19 43.57 1bv9 s LEU 63 CO 0.19 -0.03 -0.13 -0.51 -1.89 0.00 0.00 176.35 173.98 1bv9 s ILE 64 N 0.35 1.05 -0.19 6.68 2.07 -0.12 -4.30 121.20 126.73 1bv9 s ILE 64 Ca 0.36 -0.56 -0.05 0.00 -1.41 0.00 0.00 60.65 58.99 1bv9 s ILE 64 Cb -0.19 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 1bv9 s ILE 64 CO 0.19 0.30 -0.00 -1.61 -1.91 0.00 0.00 174.94 171.91 1bv9 s GLU 65 N -0.26 3.65 -0.23 3.50 2.02 -0.04 -0.86 118.70 126.47 1bv9 s GLU 65 Ca 0.04 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1bv9 s GLU 65 Cb -0.06 -3.06 0.05 0.00 0.10 0.00 0.00 34.13 31.16 1bv9 s GLU 65 CO -0.00 0.06 -0.12 0.42 0.02 0.00 0.00 175.26 175.64 1bv9 s ILE 66 N 0.86 1.99 -1.45 -1.63 1.01 0.15 -0.50 121.20 121.63 1bv9 s ILE 66 Ca 0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 1bv9 s ILE 66 Cb -0.14 -2.05 0.11 0.00 0.01 0.00 0.00 42.46 40.39 1bv9 s ILE 66 CO 0.02 0.11 0.66 0.00 0.00 0.00 0.00 174.94 175.73 1bv9 n GLY 68 N -1.31 2.88 3.81 0.00 0.00 -1.26 -4.98 105.19 104.33 1bv9 n GLY 68 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1bv9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bv9 s HIS 69 N -2.09 3.59 0.09 1.61 4.02 0.36 -4.99 115.29 117.88 1bv9 s HIS 69 Ca 0.00 1.46 0.01 0.00 1.02 0.00 0.00 55.06 57.56 1bv9 s HIS 69 Cb 0.00 -2.69 -0.04 0.00 -1.02 0.00 0.00 32.58 28.83 1bv9 s HIS 69 CO 0.00 0.24 0.19 0.15 1.02 0.00 0.00 174.74 176.33 1bv9 s LYS 70 N -2.23 3.27 0.07 1.40 1.02 -1.26 0.32 119.74 122.33 1bv9 s LYS 70 Ca 0.48 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 1bv9 s LYS 70 Cb -0.16 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1bv9 s LYS 70 CO 0.20 0.58 0.29 0.00 -0.92 0.00 0.00 175.35 175.50 1bv9 s ALA 71 N -1.53 -0.59 -0.05 5.17 0.00 -0.04 -4.85 121.76 119.86 1bv9 s ALA 71 Ca 0.33 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1bv9 s ALA 71 Cb -0.12 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1bv9 s ALA 71 CO 0.26 -0.48 -0.07 -1.50 0.00 0.00 0.00 175.76 173.97 1bv9 s ILE 72 N -3.15 0.77 0.27 0.00 2.07 -1.26 -0.95 121.20 118.96 1bv9 s ILE 72 Ca -0.01 -0.26 -0.20 0.00 -1.41 0.00 0.00 60.65 58.78 1bv9 s ILE 72 Cb 0.01 -0.76 0.07 0.00 0.13 0.00 0.00 42.46 41.91 1bv9 s ILE 72 CO -0.07 0.28 0.93 -0.83 -1.91 0.00 0.00 174.94 173.34 1bv9 s GLY 73 N 0.87 0.20 0.07 1.50 0.00 0.41 -4.87 107.32 105.50 1bv9 s GLY 73 Ca -0.12 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 1bv9 s GLY 73 CO 0.01 1.20 0.96 -1.59 0.00 0.00 0.00 173.10 173.68 1bv9 s THR 74 N -2.30 4.64 0.05 0.90 2.01 -1.26 -0.05 115.64 119.63 1bv9 s THR 74 Ca 0.19 2.06 0.06 0.00 0.31 0.00 0.00 61.69 64.31 1bv9 s THR 74 Cb -0.04 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1bv9 s THR 74 CO 0.08 0.26 -0.18 0.68 -0.69 0.00 0.00 174.62 174.77 1bv9 s VAL 75 N 0.35 1.46 -0.16 3.82 -7.23 -0.54 -4.60 120.40 113.49 1bv9 s VAL 75 Ca 0.48 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1bv9 s VAL 75 Cb -0.22 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 1bv9 s VAL 75 CO 0.29 0.07 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.33 1bv9 s LEU 76 N -1.32 3.02 0.26 1.32 1.02 -0.76 -1.92 118.68 120.31 1bv9 s LEU 76 Ca 0.05 -0.25 0.08 0.00 0.02 0.00 0.00 54.13 54.03 1bv9 s LEU 76 Cb -0.09 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1bv9 s LEU 76 CO 0.02 0.12 0.11 0.68 0.02 0.00 0.00 176.35 177.30 1bv9 s VAL 77 N 0.63 3.94 -5.00 -1.59 -7.23 -0.55 -0.37 120.40 110.23 1bv9 s VAL 77 Ca -0.04 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1bv9 s VAL 77 Cb -0.15 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1bv9 s VAL 77 CO 0.03 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1bv9 n GLY 78 N -1.06 -1.11 2.60 2.32 0.00 0.78 -1.60 105.19 107.11 1bv9 n GLY 78 Ca -0.07 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1bv9 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bv9 n PRO 79 N 0.00 3.36 -3.21 1.61 -0.04 -1.26 -2.20 135.00 133.26 1bv9 n PRO 79 Ca 0.00 -2.66 -0.29 0.00 -0.04 0.00 0.00 63.50 60.51 1bv9 n PRO 79 Cb 0.00 -3.04 -0.03 0.00 -0.04 0.00 0.00 33.50 30.39 1bv9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bv9 s THR 80 N 2.17 4.95 -0.77 0.52 -1.32 -1.26 -4.97 115.64 114.95 1bv9 s THR 80 Ca 0.54 0.23 0.25 0.00 -1.21 0.00 0.00 61.69 61.51 1bv9 s THR 80 Cb 0.15 -3.73 0.13 0.00 -1.51 0.00 0.00 72.50 67.54 1bv9 s THR 80 CO -0.07 -0.37 1.53 -0.81 -2.21 0.00 0.00 174.62 172.70 1bv9 n PRO 81 N -1.00 0.20 -3.95 7.08 -0.04 -1.26 -4.66 135.00 131.36 1bv9 n PRO 81 Ca -0.00 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1bv9 n PRO 81 Cb 0.54 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1bv9 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bv9 s VAL 82 N -3.10 0.11 -0.05 0.52 0.11 -1.26 -5.06 120.40 111.66 1bv9 s VAL 82 Ca 0.09 -0.88 -0.20 0.00 -2.93 0.00 0.00 61.98 58.06 1bv9 s VAL 82 Cb 0.15 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1bv9 s VAL 82 CO 0.66 -0.49 0.57 0.20 -3.33 0.00 0.00 175.10 172.72 1bv9 s ASN 83 N -1.50 6.88 -0.14 3.54 0.01 -1.26 -4.69 114.94 117.78 1bv9 s ASN 83 Ca -0.15 1.05 0.01 0.00 -0.71 0.00 0.00 52.86 53.07 1bv9 s ASN 83 Cb -0.09 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.24 1bv9 s ASN 83 CO -0.01 0.03 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.75 1bv9 s VAL 84 N 0.24 1.73 -0.18 1.60 1.01 0.32 -0.33 120.40 124.79 1bv9 s VAL 84 Ca 0.31 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1bv9 s VAL 84 Cb -0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1bv9 s VAL 84 CO 0.15 0.49 0.06 0.27 0.00 0.00 0.00 175.10 176.07 1bv9 s ILE 85 N 1.13 4.78 0.55 2.22 -0.00 -0.11 -1.33 121.20 128.44 1bv9 s ILE 85 Ca -0.02 -0.04 0.04 0.00 -0.00 0.00 0.00 60.65 60.63 1bv9 s ILE 85 Cb -0.14 -3.15 0.04 0.00 -0.00 0.00 0.00 42.46 39.21 1bv9 s ILE 85 CO -0.06 0.47 0.30 0.61 -0.00 0.00 0.00 174.94 176.25 1bv9 n GLY 86 N 3.48 2.98 0.37 6.27 0.00 -1.25 -0.41 105.19 116.62 1bv9 n GLY 86 Ca -0.17 -2.32 0.19 0.00 0.00 0.00 0.00 46.02 43.72 1bv9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bv9 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.33 -0.14 114.38 118.60 1bv9 h ARG 87 Ca -0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 1bv9 h ARG 87 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1bv9 h ARG 87 CO 0.60 0.00 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.53 1bv9 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.68 -2.23 115.58 117.64 1bv9 h ASN 88 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.26 1bv9 h ASN 88 Cb 0.84 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.04 1bv9 h ASN 88 CO -0.00 0.03 -2.05 0.18 0.07 0.00 0.00 177.43 175.66 1bv9 n LEU 89 N -3.15 0.66 -0.16 6.14 4.32 -0.17 -4.42 117.00 120.22 1bv9 n LEU 89 Ca -0.00 -0.02 0.09 0.00 -0.02 0.00 0.00 56.01 56.05 1bv9 n LEU 89 Cb 0.26 0.14 0.41 0.00 -1.62 0.00 0.00 43.42 42.61 1bv9 n LEU 89 CO 0.26 0.47 1.21 -0.07 -1.22 0.00 0.00 177.39 178.04 1bv9 h LEU 90 N 0.00 0.55 -1.18 2.23 3.38 -1.15 0.17 115.31 119.32 1bv9 h LEU 90 Ca -0.41 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1bv9 h LEU 90 Cb 1.87 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1bv9 h LEU 90 CO 0.00 0.34 -0.38 0.71 0.09 0.00 0.00 178.44 179.21 1bv9 h THR 91 N 0.62 1.09 0.00 0.22 1.35 -1.62 -1.58 112.91 112.99 1bv9 h THR 91 Ca 0.32 -1.38 -0.13 0.00 -0.55 0.00 0.00 66.41 64.67 1bv9 h THR 91 Cb 0.42 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1bv9 h THR 91 CO -0.11 0.37 -0.60 1.56 -0.25 0.00 0.00 175.52 176.49 1bv9 h GLN 92 N 0.00 0.00 -0.00 4.72 4.20 -0.91 -2.80 115.11 120.32 1bv9 h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bv9 h GLN 92 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1bv9 h GLN 92 CO 0.05 0.60 -0.09 -0.89 -0.67 0.00 0.00 178.83 177.83 1bv9 n ILE 93 N -3.46 0.00 -1.97 2.54 -0.00 -0.70 -4.91 119.36 110.86 1bv9 n ILE 93 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1bv9 n ILE 93 Cb 0.69 -0.30 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 1bv9 n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bv9 n GLY 94 N 1.38 0.44 3.77 7.39 0.00 -0.96 -5.01 105.19 112.20 1bv9 n GLY 94 Ca 0.11 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1bv9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bv9 s THR 96 N -0.71 1.05 -0.11 0.00 -1.32 -1.26 -4.78 115.64 108.51 1bv9 s THR 96 Ca 0.36 -1.48 -0.04 0.00 -1.21 0.00 0.00 61.69 59.32 1bv9 s THR 96 Cb -0.22 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1bv9 s THR 96 CO 0.24 -0.38 0.05 -0.76 -2.21 0.00 0.00 174.62 171.55 1bv9 s LEU 97 N -2.09 3.83 -0.04 9.08 1.43 -1.26 -5.07 118.68 124.55 1bv9 s LEU 97 Ca 0.02 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1bv9 s LEU 97 Cb -0.07 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1bv9 s LEU 97 CO 0.02 0.36 -0.15 0.20 0.23 0.00 0.00 176.35 177.00 1bv9 s ASN 98 N -0.73 1.92 0.00 2.29 -0.87 -1.26 -5.28 114.94 111.01 1bv9 s ASN 98 Ca 0.12 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 1bv9 s ASN 98 Cb -0.12 -0.57 0.00 0.00 -0.02 0.00 0.00 41.25 40.54 1bv9 s ASN 98 CO 0.02 0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.90