#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 3.08 -0.03 0.54 0.74 -1.26 -5.09 119.66 117.63 1bv9 s GLN 2 Ca 0.00 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 54.97 1bv9 s GLN 2 Cb 0.00 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1bv9 s GLN 2 CO 0.00 0.59 -0.11 0.54 -0.55 0.00 0.00 175.29 175.76 1bv9 s VAL 3 N -0.57 0.94 0.55 1.34 0.11 -1.26 -5.13 120.40 116.38 1bv9 s VAL 3 Ca 0.09 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 1bv9 s VAL 3 Cb -0.12 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1bv9 s VAL 3 CO 0.02 0.29 0.80 0.42 -3.33 0.00 0.00 175.10 173.30 1bv9 s THR 4 N 0.23 3.22 -0.25 5.04 -4.23 -1.26 -5.02 115.64 113.37 1bv9 s THR 4 Ca -0.05 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.15 1bv9 s THR 4 Cb -0.10 -3.24 0.52 0.00 1.34 0.00 0.00 72.50 71.02 1bv9 s THR 4 CO 0.01 -0.19 1.46 0.18 -0.54 0.00 0.00 174.62 175.54 1bv9 n LEU 5 N -2.38 4.10 0.14 4.79 4.77 -1.26 -4.31 117.00 122.84 1bv9 n LEU 5 Ca 0.05 -3.44 0.12 0.00 -0.03 0.00 0.00 56.01 52.72 1bv9 n LEU 5 Cb 0.59 -0.60 0.48 0.00 -2.33 0.00 0.00 43.42 41.56 1bv9 n LEU 5 CO 0.48 0.99 0.87 -0.50 -1.33 0.00 0.00 177.39 177.91 1bv9 h TRP 6 N 1.30 0.00 -3.78 -1.77 4.06 -2.06 -3.44 115.95 110.26 1bv9 h TRP 6 Ca 0.14 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.86 1bv9 h TRP 6 Cb 1.61 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.62 1bv9 h TRP 6 CO 0.81 0.00 -0.70 -0.65 -3.56 0.00 0.00 178.44 174.34 1bv9 s GLN 7 N -3.29 0.85 0.29 0.49 -1.52 -1.26 -5.11 119.66 110.10 1bv9 s GLN 7 Ca 0.05 -1.33 -0.30 0.00 -1.95 0.00 0.00 55.36 51.83 1bv9 s GLN 7 Cb 0.10 -0.25 -0.11 0.00 -0.22 0.00 0.00 33.01 32.53 1bv9 s GLN 7 CO 0.44 -0.01 1.48 1.03 -0.25 0.00 0.00 175.29 177.99 1bv9 s ARG 8 N -3.77 4.21 -0.95 2.91 0.52 -1.26 -4.88 118.95 115.73 1bv9 s ARG 8 Ca 0.12 2.41 -0.24 0.00 -0.52 0.00 0.00 55.73 57.50 1bv9 s ARG 8 Cb 0.05 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.49 1bv9 s ARG 8 CO -0.04 -0.48 1.49 -1.25 0.02 0.00 0.00 175.30 175.04 1bv9 s PRO 9 N -0.75 3.38 -0.15 3.54 0.04 -1.26 -4.95 135.00 134.86 1bv9 s PRO 9 Ca 0.59 -0.83 -0.04 0.00 0.04 0.00 0.00 61.00 60.75 1bv9 s PRO 9 Cb -0.44 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 28.97 1bv9 s PRO 9 CO 0.48 -2.35 -0.01 -1.17 0.04 0.00 0.00 177.00 174.00 1bv9 s LEU 10 N 5.79 3.45 0.32 -3.56 2.96 -1.26 -0.75 118.68 125.64 1bv9 s LEU 10 Ca 0.47 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1bv9 s LEU 10 Cb -0.02 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1bv9 s LEU 10 CO -0.04 0.21 -0.02 0.68 -1.32 0.00 0.00 176.35 175.87 1bv9 s VAL 11 N 0.11 1.65 0.05 1.68 -7.23 0.27 -4.90 120.40 112.03 1bv9 s VAL 11 Ca 0.01 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.89 1bv9 s VAL 11 Cb -0.13 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 1bv9 s VAL 11 CO 0.02 -0.15 0.64 0.42 -0.31 0.00 0.00 175.10 175.72 1bv9 s THR 12 N -2.99 4.74 0.06 5.32 -4.23 -1.26 -0.73 115.64 116.55 1bv9 s THR 12 Ca 0.33 1.36 0.08 0.00 -1.18 0.00 0.00 61.69 62.28 1bv9 s THR 12 Cb 0.06 -3.98 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1bv9 s THR 12 CO 0.15 0.47 -0.22 0.27 -0.54 0.00 0.00 174.62 174.75 1bv9 s ILE 13 N -0.62 1.78 -0.14 2.99 -4.36 0.16 -1.65 121.20 119.36 1bv9 s ILE 13 Ca 0.32 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.38 1bv9 s ILE 13 Cb -0.20 -1.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.95 1bv9 s ILE 13 CO 0.20 0.16 -0.17 -0.75 0.24 0.00 0.00 174.94 174.62 1bv9 s LYS 14 N -1.41 3.18 -0.15 0.37 2.20 -0.30 -0.41 119.74 123.23 1bv9 s LYS 14 Ca 0.08 -0.77 -0.08 0.00 -0.36 0.00 0.00 55.97 54.84 1bv9 s LYS 14 Cb -0.09 -2.56 0.06 0.00 -1.51 0.00 0.00 37.83 33.72 1bv9 s LYS 14 CO 0.03 0.04 0.35 -1.50 -0.36 0.00 0.00 175.35 173.91 1bv9 s ILE 15 N 0.73 -0.06 -1.60 5.43 -1.16 0.18 -1.51 121.20 123.22 1bv9 s ILE 15 Ca -0.07 0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.19 1bv9 s ILE 15 Cb -0.16 -0.52 0.00 0.00 0.61 0.00 0.00 42.46 42.39 1bv9 s ILE 15 CO 0.01 0.05 0.00 0.61 -2.81 0.00 0.00 174.94 172.80 1bv9 n GLY 16 N 4.31 0.87 2.35 1.50 0.00 -1.26 -1.54 105.19 111.41 1bv9 n GLY 16 Ca -0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.99 0.51 3.48 -0.02 0.00 -1.26 -5.01 105.19 101.91 1bv9 n GLY 17 Ca -0.18 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.34 2.46 -0.13 1.61 -0.21 -0.59 -5.12 119.66 116.34 1bv9 s GLN 18 Ca 0.00 -0.73 -0.10 0.00 0.02 0.00 0.00 55.36 54.55 1bv9 s GLN 18 Cb 0.00 -2.37 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 1bv9 s GLN 18 CO 0.00 0.61 0.21 -0.51 -2.12 0.00 0.00 175.29 173.49 1bv9 s LEU 19 N -0.85 4.33 0.07 2.90 1.43 -1.26 -0.64 118.68 124.65 1bv9 s LEU 19 Ca 0.12 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1bv9 s LEU 19 Cb -0.11 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1bv9 s LEU 19 CO 0.01 0.27 -0.02 -0.54 0.23 0.00 0.00 176.35 176.31 1bv9 s LYS 20 N -0.38 0.70 0.23 1.70 3.01 0.45 -5.00 119.74 120.44 1bv9 s LYS 20 Ca 0.15 -1.27 -0.01 0.00 -1.01 0.00 0.00 55.97 53.83 1bv9 s LYS 20 Cb -0.13 0.14 -0.04 0.00 -1.01 0.00 0.00 37.83 36.79 1bv9 s LYS 20 CO 0.04 -0.12 0.43 -1.21 0.51 0.00 0.00 175.35 175.00 1bv9 s GLU 21 N -3.92 3.54 0.09 1.68 2.02 -1.26 0.40 118.70 121.24 1bv9 s GLU 21 Ca 0.10 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 1bv9 s GLU 21 Cb 0.08 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.52 1bv9 s GLU 21 CO -0.07 0.35 0.27 0.00 0.02 0.00 0.00 175.26 175.83 1bv9 s ALA 22 N -1.94 -0.52 -0.09 5.21 0.00 0.09 -4.59 121.76 119.93 1bv9 s ALA 22 Ca 0.39 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 1bv9 s ALA 22 Cb -0.11 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1bv9 s ALA 22 CO 0.30 -0.53 0.38 -1.17 0.00 0.00 0.00 175.76 174.73 1bv9 s LEU 23 N -2.70 4.33 -0.12 0.00 2.96 0.10 -0.56 118.68 122.70 1bv9 s LEU 23 Ca 0.02 0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 54.42 1bv9 s LEU 23 Cb 0.03 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1bv9 s LEU 23 CO -0.10 0.16 0.81 -0.76 -1.32 0.00 0.00 176.35 175.14 1bv9 s LEU 24 N -0.06 4.24 -0.30 -0.68 2.01 0.07 -0.66 118.68 123.30 1bv9 s LEU 24 Ca 0.21 1.24 -0.01 0.00 0.01 0.00 0.00 54.13 55.58 1bv9 s LEU 24 Cb -0.15 -3.24 0.10 0.00 0.01 0.00 0.00 46.19 42.92 1bv9 s LEU 24 CO 0.09 -0.31 0.10 -0.62 1.01 0.00 0.00 176.35 176.62 1bv9 s ASP 25 N 1.04 3.96 0.59 2.29 -1.08 -0.25 -4.82 116.67 118.40 1bv9 s ASP 25 Ca 0.40 -1.58 0.38 0.00 -0.52 0.00 0.00 52.55 51.22 1bv9 s ASP 25 Cb -0.17 -0.81 1.77 0.00 -1.46 0.00 0.00 42.92 42.25 1bv9 s ASP 25 CO 0.16 -0.41 2.14 0.71 0.52 0.00 0.00 175.17 178.28 1bv9 h THR 26 N 6.49 0.03 -0.00 1.71 1.35 -1.94 -2.88 112.91 117.66 1bv9 h THR 26 Ca -0.14 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1bv9 h THR 26 Cb 1.02 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1bv9 h THR 26 CO 0.46 0.01 -0.04 0.61 -0.25 0.00 0.00 175.52 176.31 1bv9 n GLY 27 N -0.41 -1.07 3.57 5.82 0.00 -1.26 -4.81 105.19 107.03 1bv9 n GLY 27 Ca -0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.41 3.33 0.17 4.61 0.00 -1.09 -4.98 121.76 121.39 1bv9 s ALA 28 Ca 0.33 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1bv9 s ALA 28 Cb 0.21 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.36 1bv9 s ALA 28 CO 0.44 -0.09 1.44 -0.44 0.00 0.00 0.00 175.76 177.12 1bv9 h ASP 29 N 7.31 0.65 -3.01 0.00 3.32 -1.88 0.53 116.42 123.34 1bv9 h ASP 29 Ca -0.37 -0.39 -0.53 0.00 0.02 0.00 0.00 57.03 55.77 1bv9 h ASP 29 Cb 1.17 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 1bv9 h ASP 29 CO 0.65 1.13 -0.76 -1.81 -1.72 0.00 0.00 179.24 176.72 1bv9 s ASP 30 N -6.97 2.95 -0.06 6.45 1.01 -1.26 -1.67 116.67 117.13 1bv9 s ASP 30 Ca -0.08 -0.97 -0.17 0.00 0.71 0.00 0.00 52.55 52.05 1bv9 s ASP 30 Cb 0.11 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.79 1bv9 s ASP 30 CO 0.85 -0.05 0.45 -0.89 0.21 0.00 0.00 175.17 175.74 1bv9 s THR 31 N -2.51 5.09 -0.02 -1.27 2.01 -1.26 -3.52 115.64 114.15 1bv9 s THR 31 Ca 0.23 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1bv9 s THR 31 Cb -0.04 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1bv9 s THR 31 CO 0.09 0.45 0.01 0.54 -0.69 0.00 0.00 174.62 175.03 1bv9 s VAL 32 N -0.21 0.06 0.16 3.82 0.11 -0.67 -1.51 120.40 122.16 1bv9 s VAL 32 Ca 0.25 0.13 0.09 0.00 -2.93 0.00 0.00 61.98 59.52 1bv9 s VAL 32 Cb -0.16 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1bv9 s VAL 32 CO 0.12 0.11 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.03 1bv9 s LEU 33 N 0.96 2.41 1.13 2.54 1.43 -0.27 -0.56 118.68 126.33 1bv9 s LEU 33 Ca -0.09 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 1bv9 s LEU 33 Cb -0.12 -0.95 0.15 0.00 0.03 0.00 0.00 46.19 45.29 1bv9 s LEU 33 CO -0.02 0.04 0.27 -1.84 0.23 0.00 0.00 176.35 175.02 1bv9 n GLU 34 N 0.43 -1.80 -2.16 1.70 0.28 -1.26 -0.94 120.64 116.89 1bv9 n GLU 34 Ca -0.14 -0.51 -0.38 0.00 -0.16 0.00 0.00 57.16 55.97 1bv9 n GLU 34 Cb 0.56 -1.82 -0.01 0.00 1.43 0.00 0.00 31.44 31.60 1bv9 n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1bv9 s GLU 35 N -3.69 3.87 -0.03 3.44 2.56 -1.17 -4.11 118.70 119.57 1bv9 s GLU 35 Ca 0.59 1.97 -0.30 0.00 0.00 0.00 0.00 54.97 57.23 1bv9 s GLU 35 Cb -0.15 -2.60 0.07 0.00 2.00 0.00 0.00 34.13 33.44 1bv9 s GLU 35 CO 0.66 -0.51 0.68 1.41 -0.56 0.00 0.00 175.26 176.94 1bv9 s MET 36 N -2.42 1.07 -0.37 4.30 1.75 -1.26 -4.99 119.30 117.39 1bv9 s MET 36 Ca 0.60 0.16 -0.14 0.00 -1.25 0.00 0.00 55.69 55.05 1bv9 s MET 36 Cb -0.34 0.50 -0.00 0.00 2.84 0.00 0.00 34.83 37.83 1bv9 s MET 36 CO 0.42 -0.36 0.30 -1.12 -0.65 0.00 0.00 175.02 173.61 1bv9 s SER 37 N -1.39 6.11 0.12 1.11 0.01 -1.26 -5.03 113.70 113.36 1bv9 s SER 37 Ca -0.09 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1bv9 s SER 37 Cb -0.00 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1bv9 s SER 37 CO 0.07 -0.34 0.10 -0.76 0.41 0.00 0.00 173.24 172.72 1bv9 s LEU 38 N 1.81 3.78 0.31 2.44 1.43 -1.26 -5.00 118.68 122.19 1bv9 s LEU 38 Ca 0.08 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1bv9 s LEU 38 Cb -0.18 -2.43 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 1bv9 s LEU 38 CO 0.11 0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.79 1bv9 s PRO 39 N -2.73 4.50 0.00 1.29 0.04 -1.26 -4.95 135.00 131.89 1bv9 s PRO 39 Ca 0.30 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1bv9 s PRO 39 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1bv9 s PRO 39 CO 0.22 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1bv9 n GLY 40 N 1.01 0.58 3.91 0.56 0.00 -1.26 -5.04 105.19 104.94 1bv9 n GLY 40 Ca -0.00 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 1bv9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bv9 s ARG 41 N -0.61 3.05 -0.08 1.61 3.00 -1.26 -5.11 118.95 119.55 1bv9 s ARG 41 Ca 0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 55.73 54.48 1bv9 s ARG 41 Cb 0.00 -2.68 0.05 0.00 0.00 0.00 0.00 34.95 32.31 1bv9 s ARG 41 CO 0.00 0.25 0.50 1.67 0.00 0.00 0.00 175.30 177.72 1bv9 s TRP 42 N -2.15 -0.46 -0.06 -0.53 1.48 -1.26 -4.65 118.94 111.31 1bv9 s TRP 42 Ca 0.38 0.89 -0.03 0.00 -1.06 0.00 0.00 56.10 56.27 1bv9 s TRP 42 Cb -0.08 0.23 -0.04 0.00 -1.16 0.00 0.00 33.47 32.43 1bv9 s TRP 42 CO 0.28 -0.43 0.10 0.15 -4.06 0.00 0.00 176.95 172.98 1bv9 s LYS 43 N -0.83 3.22 0.30 3.25 1.02 0.31 -4.81 119.74 122.20 1bv9 s LYS 43 Ca -0.09 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 1bv9 s LYS 43 Cb -0.03 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.20 1bv9 s LYS 43 CO 0.05 0.71 1.07 -1.25 -0.92 0.00 0.00 175.35 175.01 1bv9 s PRO 44 N -1.34 4.56 0.38 -1.68 0.04 -1.26 0.58 135.00 136.28 1bv9 s PRO 44 Ca 0.19 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.78 1bv9 s PRO 44 Cb -0.12 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.42 1bv9 s PRO 44 CO 0.09 0.17 0.74 -1.59 0.04 0.00 0.00 177.00 176.45 1bv9 s LYS 45 N -1.66 2.17 0.01 4.56 -2.85 0.13 -4.88 119.74 117.22 1bv9 s LYS 45 Ca 0.47 -1.47 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1bv9 s LYS 45 Cb -0.29 0.60 -0.01 0.00 -2.06 0.00 0.00 37.83 36.07 1bv9 s LYS 45 CO 0.37 -1.00 -0.07 1.41 0.10 0.00 0.00 175.35 176.16 1bv9 s MET 46 N -2.48 0.52 0.15 1.78 1.75 -1.26 0.46 119.30 120.22 1bv9 s MET 46 Ca 0.17 -0.40 0.05 0.00 -1.25 0.00 0.00 55.69 54.26 1bv9 s MET 46 Cb -0.04 -0.44 -0.04 0.00 2.84 0.00 0.00 34.83 37.14 1bv9 s MET 46 CO 0.13 0.11 -0.12 0.96 -0.65 0.00 0.00 175.02 175.45 1bv9 s ILE 47 N -0.55 1.30 0.21 10.11 -4.36 0.43 -4.97 121.20 123.38 1bv9 s ILE 47 Ca -0.01 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.45 1bv9 s ILE 47 Cb -0.05 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1bv9 s ILE 47 CO 0.00 -0.65 -0.10 -0.83 0.24 0.00 0.00 174.94 173.60 1bv9 s GLY 48 N -3.05 1.73 0.00 6.27 0.00 -1.26 -0.62 107.32 110.39 1bv9 s GLY 48 Ca 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1bv9 s GLY 48 CO 0.02 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1bv9 n GLY 49 N -0.22 3.29 3.68 0.20 0.00 0.37 -4.96 105.19 107.55 1bv9 n GLY 49 Ca -0.09 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.53 4.16 0.00 -0.61 1.01 -1.26 -2.59 121.20 119.38 1bv9 s ILE 50 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1bv9 s ILE 50 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1bv9 s ILE 50 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1bv9 n GLY 51 N 3.44 1.38 0.00 6.18 0.00 -1.26 -4.96 105.19 109.97 1bv9 n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 0.54 3.42 -0.02 0.00 -1.07 -5.10 105.19 102.89 1bv9 n GLY 52 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1bv9 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bv9 s PHE 53 N -3.73 2.13 0.04 1.61 -0.71 -1.26 -0.48 117.98 115.58 1bv9 s PHE 53 Ca 0.00 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.52 1bv9 s PHE 53 Cb 0.00 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 40.82 1bv9 s PHE 53 CO 0.00 0.57 -0.09 0.96 -1.34 0.00 0.00 175.22 175.32 1bv9 s ILE 54 N -2.40 0.70 -0.01 -4.49 -4.36 0.21 -4.97 121.20 105.88 1bv9 s ILE 54 Ca 0.25 -0.98 -0.17 0.00 -0.26 0.00 0.00 60.65 59.49 1bv9 s ILE 54 Cb -0.05 -0.71 -0.06 0.00 1.25 0.00 0.00 42.46 42.90 1bv9 s ILE 54 CO 0.12 -0.23 0.48 -0.54 0.24 0.00 0.00 174.94 175.01 1bv9 s LYS 55 N -1.33 4.11 0.20 0.37 1.02 -1.26 -0.43 119.74 122.42 1bv9 s LYS 55 Ca -0.05 0.53 -0.00 0.00 0.02 0.00 0.00 55.97 56.46 1bv9 s LYS 55 Cb -0.09 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1bv9 s LYS 55 CO 0.01 0.54 0.11 0.14 -0.92 0.00 0.00 175.35 175.23 1bv9 s VAL 56 N -0.66 0.18 -0.10 3.17 -7.23 0.17 -4.52 120.40 111.41 1bv9 s VAL 56 Ca 0.26 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1bv9 s VAL 56 Cb -0.17 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1bv9 s VAL 56 CO 0.14 -0.09 0.04 -0.13 -0.31 0.00 0.00 175.10 174.76 1bv9 s ARG 57 N -4.10 3.13 -0.21 4.82 0.52 -0.34 -0.70 118.95 122.07 1bv9 s ARG 57 Ca 0.36 -0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1bv9 s ARG 57 Cb 0.07 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1bv9 s ARG 57 CO 0.11 0.71 0.03 -1.14 0.02 0.00 0.00 175.30 175.02 1bv9 s GLN 58 N -0.89 3.69 -0.00 3.54 0.74 0.20 -1.32 119.66 125.61 1bv9 s GLN 58 Ca 0.13 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.10 1bv9 s GLN 58 Cb -0.12 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1bv9 s GLN 58 CO 0.03 0.02 -0.10 0.71 -0.55 0.00 0.00 175.29 175.40 1bv9 s TYR 59 N 1.00 2.80 0.26 1.67 1.51 -0.63 -0.53 117.35 123.43 1bv9 s TYR 59 Ca 0.02 -0.09 0.11 0.00 -1.01 0.00 0.00 57.07 56.11 1bv9 s TYR 59 Cb -0.14 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.07 1bv9 s TYR 59 CO 0.02 0.32 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.08 1bv9 s ASP 60 N -1.27 3.41 -1.33 2.29 1.01 -1.26 -1.15 116.67 118.36 1bv9 s ASP 60 Ca 0.15 -1.02 -0.07 0.00 0.71 0.00 0.00 52.55 52.32 1bv9 s ASP 60 Cb -0.11 -0.27 0.01 0.00 1.01 0.00 0.00 42.92 43.56 1bv9 s ASP 60 CO 0.06 0.01 1.12 1.67 0.21 0.00 0.00 175.17 178.23 1bv9 n GLN 61 N -0.54 -7.44 -4.04 8.23 -0.06 -0.60 -4.91 117.38 108.02 1bv9 n GLN 61 Ca -0.06 0.81 -0.35 0.00 -2.00 0.00 0.00 57.00 55.40 1bv9 n GLN 61 Cb 0.60 -5.84 -0.07 0.00 -4.06 0.00 0.00 30.24 20.87 1bv9 n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1bv9 s ILE 62 N -3.34 5.05 -0.04 1.69 1.09 -0.78 -4.78 121.20 120.10 1bv9 s ILE 62 Ca 0.44 -0.09 -0.22 0.00 -1.10 0.00 0.00 60.65 59.68 1bv9 s ILE 62 Cb -0.20 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.92 1bv9 s ILE 62 CO 0.74 0.51 0.65 -0.22 -0.10 0.00 0.00 174.94 176.51 1bv9 s LEU 63 N -1.30 4.36 0.01 2.97 1.98 -1.26 -2.00 118.68 123.44 1bv9 s LEU 63 Ca 0.18 1.17 0.01 0.00 -2.89 0.00 0.00 54.13 52.60 1bv9 s LEU 63 Cb -0.12 -3.00 -0.01 0.00 0.66 0.00 0.00 46.19 43.72 1bv9 s LEU 63 CO 0.08 -0.01 -0.04 -0.51 -1.89 0.00 0.00 176.35 173.98 1bv9 s ILE 64 N 0.33 0.30 -0.15 6.68 2.07 -0.09 -4.29 121.20 126.06 1bv9 s ILE 64 Ca 0.34 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1bv9 s ILE 64 Cb -0.18 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 1bv9 s ILE 64 CO 0.17 -0.09 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.36 1bv9 s GLU 65 N -0.55 3.26 -0.15 3.50 2.02 -0.57 -0.71 118.70 125.51 1bv9 s GLU 65 Ca -0.03 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1bv9 s GLU 65 Cb -0.04 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.58 1bv9 s GLU 65 CO -0.00 0.07 -0.15 0.42 0.02 0.00 0.00 175.26 175.62 1bv9 s ILE 66 N 0.70 1.61 0.00 -1.63 1.01 0.66 -1.15 121.20 122.39 1bv9 s ILE 66 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1bv9 s ILE 66 Cb -0.16 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1bv9 s ILE 66 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 174.94 175.42 1bv9 n GLY 68 N 0.00 2.23 3.73 0.00 0.00 -1.26 -4.92 105.19 104.97 1bv9 n GLY 68 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.10 3.14 0.20 1.61 3.76 -0.66 -5.07 115.29 117.17 1bv9 s HIS 69 Ca 0.46 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1bv9 s HIS 69 Cb 0.24 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1bv9 s HIS 69 CO 0.32 0.50 0.37 0.15 -0.85 0.00 0.00 174.74 175.23 1bv9 s LYS 70 N -2.00 3.49 -0.01 1.40 1.02 -1.26 -0.25 119.74 122.13 1bv9 s LYS 70 Ca 0.24 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 1bv9 s LYS 70 Cb -0.12 -2.86 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1bv9 s LYS 70 CO 0.16 0.41 0.73 0.00 -0.92 0.00 0.00 175.35 175.73 1bv9 s ALA 71 N -1.89 -1.76 0.02 5.17 0.00 0.12 -4.92 121.76 118.50 1bv9 s ALA 71 Ca 0.37 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.55 1bv9 s ALA 71 Cb -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1bv9 s ALA 71 CO 0.29 -0.48 -0.23 0.42 0.00 0.00 0.00 175.76 175.76 1bv9 s ILE 72 N -1.94 1.84 -2.08 0.00 -1.09 -1.26 -0.91 121.20 115.77 1bv9 s ILE 72 Ca -0.06 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.21 1bv9 s ILE 72 Cb -0.00 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 1bv9 s ILE 72 CO 0.02 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1bv9 n GLY 73 N 2.10 -0.54 3.74 6.18 0.00 -0.85 -4.89 105.19 110.93 1bv9 n GLY 73 Ca -0.16 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1bv9 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bv9 s THR 74 N -3.04 5.12 -0.07 2.61 2.01 -1.26 -1.55 115.64 119.46 1bv9 s THR 74 Ca 0.00 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.03 1bv9 s THR 74 Cb 0.00 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.69 1bv9 s THR 74 CO 0.00 0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 1bv9 s VAL 75 N 0.35 1.20 -0.05 3.82 1.01 -0.30 -4.56 120.40 121.86 1bv9 s VAL 75 Ca 0.27 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1bv9 s VAL 75 Cb -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1bv9 s VAL 75 CO 0.12 0.37 0.40 -0.76 0.00 0.00 0.00 175.10 175.23 1bv9 s LEU 76 N 0.74 4.40 0.03 3.92 1.02 -0.57 -1.61 118.68 126.61 1bv9 s LEU 76 Ca -0.13 0.86 0.07 0.00 0.02 0.00 0.00 54.13 54.95 1bv9 s LEU 76 Cb -0.16 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.45 1bv9 s LEU 76 CO 0.03 0.23 -0.21 -0.69 0.02 0.00 0.00 176.35 175.73 1bv9 s VAL 77 N -0.50 2.57 -2.20 -1.59 1.01 -0.44 -1.11 120.40 118.14 1bv9 s VAL 77 Ca 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1bv9 s VAL 77 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1bv9 s VAL 77 CO 0.11 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1bv9 n GLY 78 N 1.77 -1.18 2.65 4.51 0.00 -0.12 -1.20 105.19 111.62 1bv9 n GLY 78 Ca -0.16 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 3.57 -3.85 1.61 -0.04 -1.26 -3.07 135.00 131.96 1bv9 n PRO 79 Ca 0.00 -2.98 -0.31 0.00 -0.04 0.00 0.00 63.50 60.16 1bv9 n PRO 79 Cb 0.00 -2.96 -0.04 0.00 -0.04 0.00 0.00 33.50 30.45 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 1.31 5.33 -1.82 0.52 -1.32 -1.26 -4.98 115.64 113.42 1bv9 s THR 80 Ca 0.50 -0.24 0.30 0.00 -1.21 0.00 0.00 61.69 61.04 1bv9 s THR 80 Cb 0.14 -3.62 0.61 0.00 -1.51 0.00 0.00 72.50 68.13 1bv9 s THR 80 CO -0.05 0.14 1.99 -0.81 -2.21 0.00 0.00 174.62 173.68 1bv9 n PRO 81 N 0.34 0.86 -3.84 7.08 -0.04 -1.26 -4.55 135.00 133.59 1bv9 n PRO 81 Ca -0.05 -0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.08 1bv9 n PRO 81 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 1bv9 n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bv9 s VAL 82 N -2.29 0.10 -0.12 0.52 -7.23 -1.26 -5.04 120.40 105.07 1bv9 s VAL 82 Ca 0.36 -0.80 -0.22 0.00 -1.81 0.00 0.00 61.98 59.51 1bv9 s VAL 82 Cb 0.21 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1bv9 s VAL 82 CO 0.42 -0.44 0.63 0.20 -0.31 0.00 0.00 175.10 175.61 1bv9 s ASN 83 N -1.84 6.83 -0.05 4.85 0.01 -1.26 -4.53 114.94 118.95 1bv9 s ASN 83 Ca -0.08 1.00 0.05 0.00 -0.71 0.00 0.00 52.86 53.11 1bv9 s ASN 83 Cb -0.03 -2.37 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 1bv9 s ASN 83 CO -0.02 -0.15 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.54 1bv9 s VAL 84 N 1.16 1.58 -0.32 1.60 1.01 0.28 0.02 120.40 125.73 1bv9 s VAL 84 Ca 0.32 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1bv9 s VAL 84 Cb -0.16 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1bv9 s VAL 84 CO 0.14 0.45 0.14 -0.63 0.00 0.00 0.00 175.10 175.20 1bv9 s ILE 85 N 0.02 4.34 0.25 2.22 -1.09 0.17 -1.66 121.20 125.44 1bv9 s ILE 85 Ca -0.04 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1bv9 s ILE 85 Cb -0.12 -3.28 0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1bv9 s ILE 85 CO 0.03 -0.02 0.35 0.61 -1.23 0.00 0.00 174.94 174.68 1bv9 n GLY 86 N 4.94 0.97 0.23 6.18 0.00 -1.23 -1.10 105.19 115.18 1bv9 n GLY 86 Ca -0.13 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.82 1.61 3.08 0.35 -2.23 114.38 116.37 1bv9 h ARG 87 Ca -0.11 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.08 1bv9 h ARG 87 Cb 0.44 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 1bv9 h ARG 87 CO 0.13 0.20 0.40 -2.95 -1.07 0.00 0.00 179.97 176.68 1bv9 h ASN 88 N 0.00 0.46 0.67 7.04 -1.07 -1.56 -1.88 115.58 119.23 1bv9 h ASN 88 Ca -0.00 0.10 -0.14 0.00 0.07 0.00 0.00 56.30 56.33 1bv9 h ASN 88 Cb 0.45 0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.71 1bv9 h ASN 88 CO 0.03 0.19 -1.43 0.18 0.07 0.00 0.00 177.43 176.46 1bv9 n LEU 89 N -4.91 0.75 -0.01 6.14 4.77 -1.06 -4.19 117.00 118.50 1bv9 n LEU 89 Ca 0.16 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1bv9 n LEU 89 Cb 0.43 0.07 0.47 0.00 -2.33 0.00 0.00 43.42 42.06 1bv9 n LEU 89 CO 0.20 0.09 1.17 -0.07 -1.33 0.00 0.00 177.39 177.45 1bv9 h LEU 90 N 0.00 0.39 -1.37 2.23 4.07 -0.87 0.21 115.31 119.96 1bv9 h LEU 90 Ca -0.15 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 1bv9 h LEU 90 Cb 1.48 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 1bv9 h LEU 90 CO 0.03 0.27 -0.30 0.74 -1.08 0.00 0.00 178.44 178.10 1bv9 h THR 91 N 0.45 1.03 0.00 0.22 2.02 -1.53 -2.01 112.91 113.09 1bv9 h THR 91 Ca 0.19 -1.11 -0.22 0.00 0.77 0.00 0.00 66.41 66.04 1bv9 h THR 91 Cb 0.19 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1bv9 h THR 91 CO -0.05 0.30 -1.12 1.56 0.37 0.00 0.00 175.52 176.58 1bv9 h GLN 92 N 0.00 0.00 -0.30 6.66 4.20 -0.79 -3.12 115.11 121.76 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 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1bv9 h GLN 92 CO 0.04 0.88 0.00 0.44 -0.67 0.00 0.00 178.83 179.52 1bv9 n ILE 93 N -3.28 0.39 -1.38 2.54 -5.35 -0.73 -4.90 119.36 106.65 1bv9 n ILE 93 Ca -0.03 -0.44 -0.02 0.00 -0.27 0.00 0.00 62.75 61.99 1bv9 n ILE 93 Cb 0.95 0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 39.13 1bv9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bv9 n GLY 94 N 1.09 0.47 3.70 3.28 0.00 -1.06 -5.00 105.19 107.68 1bv9 n GLY 94 Ca 0.13 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 1.53 2.60 -0.09 0.00 -4.23 -1.26 -4.79 115.64 109.40 1bv9 s THR 96 Ca 0.57 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1bv9 s THR 96 Cb -0.27 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1bv9 s THR 96 CO 0.26 -0.15 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.91 1bv9 s LEU 97 N -3.76 3.22 -0.04 4.79 2.96 -1.26 -5.08 118.68 119.50 1bv9 s LEU 97 Ca 0.36 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1bv9 s LEU 97 Cb 0.01 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1bv9 s LEU 97 CO 0.20 0.32 0.01 0.20 -1.32 0.00 0.00 176.35 175.76 1bv9 s ASN 98 N -0.57 0.64 0.00 3.68 0.01 -1.26 -5.28 114.94 112.16 1bv9 s ASN 98 Ca 0.09 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1bv9 s ASN 98 Cb -0.12 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.31 1bv9 s ASN 98 CO 0.02 -0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.70