#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 3.73 -0.13 0.54 0.74 -1.26 -5.07 119.66 118.21 1bv7 s GLN 2 Ca 0.00 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.92 1bv7 s GLN 2 Cb 0.00 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 1bv7 s GLN 2 CO 0.00 0.08 -0.04 0.08 -0.55 0.00 0.00 175.29 174.86 1bv7 s VAL 3 N 0.85 3.94 0.38 1.34 1.01 -1.26 -5.12 120.40 121.54 1bv7 s VAL 3 Ca 0.02 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1bv7 s VAL 3 Cb -0.14 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1bv7 s VAL 3 CO 0.02 0.53 0.50 0.42 0.00 0.00 0.00 175.10 176.58 1bv7 s THR 4 N -0.10 3.45 -0.24 3.92 -4.23 -1.26 -5.04 115.64 112.14 1bv7 s THR 4 Ca 0.02 -1.04 0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1bv7 s THR 4 Cb -0.13 -3.18 0.46 0.00 1.34 0.00 0.00 72.50 70.99 1bv7 s THR 4 CO 0.02 -0.07 1.36 0.18 -0.54 0.00 0.00 174.62 175.57 1bv7 n LEU 5 N -1.72 3.52 0.26 4.79 4.77 -1.26 -4.31 117.00 123.05 1bv7 n LEU 5 Ca 0.04 -3.63 0.15 0.00 -0.03 0.00 0.00 56.01 52.54 1bv7 n LEU 5 Cb 0.59 -0.57 0.53 0.00 -2.33 0.00 0.00 43.42 41.64 1bv7 n LEU 5 CO 0.41 1.16 0.93 -0.50 -1.33 0.00 0.00 177.39 178.05 1bv7 h TRP 6 N 0.98 0.00 -2.19 -1.77 4.06 -2.06 -3.43 115.95 111.55 1bv7 h TRP 6 Ca 0.11 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.50 1bv7 h TRP 6 Cb 1.38 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.41 1bv7 h TRP 6 CO 0.77 0.02 -0.63 -0.65 -3.56 0.00 0.00 178.44 174.38 1bv7 s GLN 7 N -3.54 1.78 0.29 0.49 -1.52 -1.26 -5.10 119.66 110.80 1bv7 s GLN 7 Ca 0.03 -1.97 -0.30 0.00 -1.95 0.00 0.00 55.36 51.17 1bv7 s GLN 7 Cb 0.08 -1.37 -0.11 0.00 -0.22 0.00 0.00 33.01 31.39 1bv7 s GLN 7 CO 0.58 -0.03 1.47 1.03 -0.25 0.00 0.00 175.29 178.09 1bv7 s ARG 8 N -3.74 4.22 -0.90 2.91 0.52 -1.26 -4.90 118.95 115.80 1bv7 s ARG 8 Ca 0.34 2.40 -0.23 0.00 -0.52 0.00 0.00 55.73 57.71 1bv7 s ARG 8 Cb 0.07 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.54 1bv7 s ARG 8 CO 0.16 -0.46 1.32 -1.25 0.02 0.00 0.00 175.30 175.09 1bv7 s PRO 9 N -0.84 3.45 -0.10 3.54 0.04 -1.26 -4.96 135.00 134.86 1bv7 s PRO 9 Ca 0.58 -0.95 -0.09 0.00 0.04 0.00 0.00 61.00 60.58 1bv7 s PRO 9 Cb -0.44 -4.90 -0.04 0.00 0.04 0.00 0.00 34.50 29.16 1bv7 s PRO 9 CO 0.49 -2.11 0.20 -0.51 0.04 0.00 0.00 177.00 175.11 1bv7 s LEU 10 N 4.81 4.39 0.13 -3.56 1.43 -1.26 -1.61 118.68 123.01 1bv7 s LEU 10 Ca 0.39 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.13 1bv7 s LEU 10 Cb -0.04 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1bv7 s LEU 10 CO -0.02 0.37 -0.15 0.68 0.23 0.00 0.00 176.35 177.46 1bv7 s VAL 11 N -0.90 1.45 0.10 -1.59 -7.23 -0.20 -4.95 120.40 107.08 1bv7 s VAL 11 Ca 0.17 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 1bv7 s VAL 11 Cb -0.13 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.16 1bv7 s VAL 11 CO 0.06 -0.37 1.12 -0.89 -0.31 0.00 0.00 175.10 174.71 1bv7 s THR 12 N -2.03 4.09 0.09 5.32 2.01 -1.26 0.07 115.64 123.92 1bv7 s THR 12 Ca 0.10 1.62 0.08 0.00 0.31 0.00 0.00 61.69 63.80 1bv7 s THR 12 Cb -0.06 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1bv7 s THR 12 CO 0.04 0.19 -0.16 0.27 -0.69 0.00 0.00 174.62 174.27 1bv7 s ILE 13 N 0.47 2.97 -0.19 1.82 -4.36 0.96 -1.44 121.20 121.43 1bv7 s ILE 13 Ca 0.54 -1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 59.53 1bv7 s ILE 13 Cb -0.28 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1bv7 s ILE 13 CO 0.31 0.17 -0.01 -0.75 0.24 0.00 0.00 174.94 174.91 1bv7 s LYS 14 N -1.96 3.62 -0.04 0.37 2.20 0.13 -1.02 119.74 123.04 1bv7 s LYS 14 Ca 0.18 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1bv7 s LYS 14 Cb -0.11 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1bv7 s LYS 14 CO 0.10 0.05 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.61 1bv7 s ILE 15 N 0.90 0.38 -1.42 5.43 1.10 0.18 -1.23 121.20 126.53 1bv7 s ILE 15 Ca 0.01 -0.01 -0.08 0.00 -0.51 0.00 0.00 60.65 60.05 1bv7 s ILE 15 Cb -0.14 -0.45 0.05 0.00 0.15 0.00 0.00 42.46 42.07 1bv7 s ILE 15 CO 0.02 0.20 0.62 0.61 -2.11 0.00 0.00 174.94 174.28 1bv7 n GLY 16 N 4.22 -0.50 2.51 1.50 0.00 -1.26 -0.38 105.19 111.28 1bv7 n GLY 16 Ca -0.23 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.40 0.58 3.28 -0.02 0.00 -1.26 -5.00 105.19 101.37 1bv7 n GLY 17 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 1.41 -0.17 1.61 -0.21 0.49 -5.11 119.66 117.43 1bv7 s GLN 18 Ca 0.00 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.24 1bv7 s GLN 18 Cb 0.00 -1.58 -0.05 0.00 1.00 0.00 0.00 33.01 32.38 1bv7 s GLN 18 CO 0.00 0.40 0.20 -0.51 -2.12 0.00 0.00 175.29 173.26 1bv7 s LEU 19 N -1.35 4.25 0.16 2.90 1.02 -1.26 -0.65 118.68 123.75 1bv7 s LEU 19 Ca 0.08 0.38 -0.02 0.00 0.02 0.00 0.00 54.13 54.60 1bv7 s LEU 19 Cb -0.09 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 1bv7 s LEU 19 CO 0.02 0.18 0.11 -0.54 0.02 0.00 0.00 176.35 176.14 1bv7 s LYS 20 N 0.20 1.05 0.07 1.70 -0.14 -0.18 -5.00 119.74 117.43 1bv7 s LYS 20 Ca 0.12 -1.47 0.05 0.00 -1.36 0.00 0.00 55.97 53.31 1bv7 s LYS 20 Cb -0.12 0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 36.26 1bv7 s LYS 20 CO 0.01 -0.32 -0.04 -1.21 -0.76 0.00 0.00 175.35 173.03 1bv7 s GLU 21 N -4.08 2.45 0.13 1.68 2.02 -1.26 -0.03 118.70 119.62 1bv7 s GLU 21 Ca 0.28 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.40 1bv7 s GLU 21 Cb 0.07 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 1bv7 s GLU 21 CO 0.05 0.55 0.09 0.00 0.02 0.00 0.00 175.26 175.97 1bv7 s ALA 22 N -1.19 0.73 -0.20 5.21 0.00 0.11 -4.49 121.76 121.92 1bv7 s ALA 22 Ca 0.22 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1bv7 s ALA 22 Cb -0.11 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1bv7 s ALA 22 CO 0.14 -0.51 0.13 -1.17 0.00 0.00 0.00 175.76 174.35 1bv7 s LEU 23 N -3.03 4.19 -0.42 0.00 2.96 -0.38 -1.03 118.68 120.96 1bv7 s LEU 23 Ca 0.23 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 54.08 1bv7 s LEU 23 Cb 0.07 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1bv7 s LEU 23 CO 0.01 0.18 1.03 -0.76 -1.32 0.00 0.00 176.35 175.49 1bv7 s LEU 24 N 0.39 3.85 -0.28 -0.68 1.02 -0.64 -0.93 118.68 121.40 1bv7 s LEU 24 Ca 0.08 0.52 0.01 0.00 0.02 0.00 0.00 54.13 54.76 1bv7 s LEU 24 Cb -0.11 -3.41 0.08 0.00 0.02 0.00 0.00 46.19 42.77 1bv7 s LEU 24 CO -0.02 -1.06 0.01 -0.62 0.02 0.00 0.00 176.35 174.69 1bv7 s ASP 25 N 2.15 4.18 0.28 2.29 -1.08 -0.80 -4.80 116.67 118.89 1bv7 s ASP 25 Ca 0.43 -1.59 0.25 0.00 -0.52 0.00 0.00 52.55 51.12 1bv7 s ASP 25 Cb -0.10 -1.25 0.98 0.00 -1.46 0.00 0.00 42.92 41.10 1bv7 s ASP 25 CO 0.25 -0.32 1.75 0.71 0.52 0.00 0.00 175.17 178.07 1bv7 h THR 26 N 6.61 0.00 -0.00 1.71 1.35 -1.94 -2.88 112.91 117.76 1bv7 h THR 26 Ca -0.13 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1bv7 h THR 26 Cb 1.04 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1bv7 h THR 26 CO 0.46 0.00 -0.24 0.61 -0.25 0.00 0.00 175.52 176.10 1bv7 n GLY 27 N 0.22 -0.90 3.46 5.82 0.00 -1.26 -4.83 105.19 107.70 1bv7 n GLY 27 Ca 0.03 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.62 3.21 0.15 4.61 0.00 -1.09 -4.96 121.76 121.07 1bv7 s ALA 28 Ca 0.23 -1.18 0.22 0.00 0.00 0.00 0.00 51.96 51.23 1bv7 s ALA 28 Cb 0.19 -2.17 0.83 0.00 0.00 0.00 0.00 23.12 21.98 1bv7 s ALA 28 CO 0.54 -0.57 1.79 -0.44 0.00 0.00 0.00 175.76 177.08 1bv7 h ASP 29 N 8.27 0.00 -4.28 0.00 3.32 -1.88 0.42 116.42 122.28 1bv7 h ASP 29 Ca -0.37 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.16 1bv7 h ASP 29 Cb 1.17 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1bv7 h ASP 29 CO 0.58 0.28 -0.82 -1.81 -1.72 0.00 0.00 179.24 175.75 1bv7 s ASP 30 N -6.28 2.25 -0.12 6.45 1.01 -1.26 -2.69 116.67 116.03 1bv7 s ASP 30 Ca 0.00 -0.60 -0.21 0.00 0.71 0.00 0.00 52.55 52.46 1bv7 s ASP 30 Cb 0.10 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.86 1bv7 s ASP 30 CO 0.65 0.06 0.59 -0.89 0.21 0.00 0.00 175.17 175.79 1bv7 s THR 31 N -1.04 5.10 -0.10 -1.27 2.01 -1.26 -4.03 115.64 115.05 1bv7 s THR 31 Ca 0.05 1.18 -0.00 0.00 0.31 0.00 0.00 61.69 63.23 1bv7 s THR 31 Cb -0.09 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1bv7 s THR 31 CO 0.03 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.45 1bv7 s VAL 32 N 0.99 0.91 0.16 3.82 1.01 -0.13 -1.61 120.40 125.54 1bv7 s VAL 32 Ca 0.31 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1bv7 s VAL 32 Cb -0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1bv7 s VAL 32 CO 0.13 0.34 -0.11 -0.76 0.00 0.00 0.00 175.10 174.70 1bv7 s LEU 33 N 1.58 2.92 0.96 3.92 1.43 0.27 -0.21 118.68 129.54 1bv7 s LEU 33 Ca 0.02 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1bv7 s LEU 33 Cb -0.13 -1.66 0.17 0.00 0.03 0.00 0.00 46.19 44.60 1bv7 s LEU 33 CO -0.06 0.13 1.11 -1.61 0.23 0.00 0.00 176.35 176.15 1bv7 s GLU 34 N -2.60 0.67 0.28 1.70 2.02 -1.26 -1.13 118.70 118.39 1bv7 s GLU 34 Ca 0.23 1.27 -0.30 0.00 0.02 0.00 0.00 54.97 56.19 1bv7 s GLU 34 Cb -0.09 -1.71 -0.11 0.00 0.10 0.00 0.00 34.13 32.32 1bv7 s GLU 34 CO 0.14 -2.78 1.55 -1.21 0.02 0.00 0.00 175.26 172.98 1bv7 s GLU 35 N -4.65 4.16 0.29 1.61 0.41 -1.16 -4.37 118.70 115.00 1bv7 s GLU 35 Ca 0.66 2.50 -0.08 0.00 -0.41 0.00 0.00 54.97 57.64 1bv7 s GLU 35 Cb -0.22 -3.05 -0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1bv7 s GLU 35 CO 0.59 -0.57 0.47 0.00 -0.49 0.00 0.00 175.26 175.26 1bv7 s MET 36 N -0.44 1.71 -0.73 1.61 0.23 -1.26 -5.00 119.30 115.43 1bv7 s MET 36 Ca 0.62 -1.50 -0.27 0.00 -1.03 0.00 0.00 55.69 53.52 1bv7 s MET 36 Cb -0.46 0.46 0.03 0.00 -1.53 0.00 0.00 34.83 33.33 1bv7 s MET 36 CO 0.46 -0.71 1.26 -1.12 -2.03 0.00 0.00 175.02 172.88 1bv7 s SER 37 N -3.12 6.17 -0.08 -1.18 0.01 -1.26 -5.00 113.70 109.25 1bv7 s SER 37 Ca 0.26 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1bv7 s SER 37 Cb -0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1bv7 s SER 37 CO 0.14 -1.80 -0.12 -0.76 0.41 0.00 0.00 173.24 171.10 1bv7 s LEU 38 N 5.62 2.82 0.86 2.44 1.43 -1.26 -4.95 118.68 125.64 1bv7 s LEU 38 Ca 0.35 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1bv7 s LEU 38 Cb -0.08 -1.60 0.11 0.00 0.03 0.00 0.00 46.19 44.65 1bv7 s LEU 38 CO 0.15 0.30 1.14 -2.16 0.23 0.00 0.00 176.35 176.01 1bv7 s PRO 39 N -0.45 1.56 0.00 1.29 0.04 -1.26 -4.93 135.00 131.25 1bv7 s PRO 39 Ca 0.06 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1bv7 s PRO 39 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1bv7 s PRO 39 CO 0.02 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1bv7 n GLY 40 N -2.44 0.11 3.42 0.56 0.00 -1.26 -5.03 105.19 100.55 1bv7 n GLY 40 Ca 0.07 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1bv7 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bv7 s ARG 41 N -1.33 1.82 0.37 1.61 3.00 -1.26 -5.13 118.95 118.02 1bv7 s ARG 41 Ca 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 55.73 53.59 1bv7 s ARG 41 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 34.95 34.70 1bv7 s ARG 41 CO 0.00 -0.52 0.59 -2.67 0.00 0.00 0.00 175.30 172.70 1bv7 n TRP 42 N -0.77 -1.75 -3.99 -0.53 4.27 -1.26 -4.75 117.44 108.66 1bv7 n TRP 42 Ca -0.01 -2.24 -0.12 0.00 -3.89 0.00 0.00 57.50 51.23 1bv7 n TRP 42 Cb 0.64 0.67 -0.13 0.00 -1.36 0.00 0.00 31.31 31.14 1bv7 n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bv7 s LYS 43 N -2.60 0.24 0.35 -2.67 1.02 -0.83 -4.91 119.74 110.34 1bv7 s LYS 43 Ca 0.26 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 1bv7 s LYS 43 Cb -0.02 -0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.09 1bv7 s LYS 43 CO 0.18 0.02 1.00 -1.25 -0.92 0.00 0.00 175.35 174.38 1bv7 s PRO 44 N -0.60 4.43 0.08 -1.68 0.04 -1.26 0.83 135.00 136.83 1bv7 s PRO 44 Ca -0.05 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 1bv7 s PRO 44 Cb -0.04 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1bv7 s PRO 44 CO -0.00 0.11 0.10 0.21 0.04 0.00 0.00 177.00 177.45 1bv7 s LYS 45 N -2.18 0.76 0.06 4.56 2.20 -0.12 -4.87 119.74 120.16 1bv7 s LYS 45 Ca 0.53 -1.09 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 1bv7 s LYS 45 Cb -0.21 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1bv7 s LYS 45 CO 0.27 -0.21 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.20 1bv7 s MET 46 N -3.90 1.36 0.21 4.03 -1.94 -1.26 -0.15 119.30 117.66 1bv7 s MET 46 Ca 0.07 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.10 1bv7 s MET 46 Cb 0.06 -1.52 -0.05 0.00 2.01 0.00 0.00 34.83 35.33 1bv7 s MET 46 CO -0.10 0.38 -0.06 0.96 -0.01 0.00 0.00 175.02 176.19 1bv7 s ILE 47 N -0.88 1.28 0.00 2.53 -4.36 -0.08 -4.95 121.20 114.74 1bv7 s ILE 47 Ca 0.08 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1bv7 s ILE 47 Cb -0.09 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1bv7 s ILE 47 CO 0.02 -0.48 -0.15 -0.83 0.24 0.00 0.00 174.94 173.75 1bv7 s GLY 48 N -3.29 1.58 0.00 6.27 0.00 -1.26 -0.59 107.32 110.03 1bv7 s GLY 48 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1bv7 s GLY 48 CO 0.07 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1bv7 n GLY 49 N 1.82 4.81 0.19 0.20 0.00 0.20 -4.97 105.19 107.45 1bv7 n GLY 49 Ca -0.16 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.09 1bv7 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bv7 h ILE 50 N 0.68 0.85 -0.61 -0.61 2.10 -2.02 -2.36 117.51 115.54 1bv7 h ILE 50 Ca 0.00 -1.53 0.00 0.00 1.08 0.00 0.00 64.86 64.41 1bv7 h ILE 50 Cb 0.00 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 1bv7 h ILE 50 CO 0.00 0.36 0.00 0.61 -1.08 0.00 0.00 178.15 178.04 1bv7 n GLY 51 N 0.30 2.68 0.00 8.18 0.00 -1.26 -5.04 105.19 110.04 1bv7 n GLY 51 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.20 0.60 3.53 -0.02 0.00 -0.89 -5.09 105.19 104.53 1bv7 n GLY 52 Ca 0.22 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1bv7 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bv7 s PHE 53 N -1.30 2.71 0.08 1.61 -0.71 -1.26 0.61 117.98 119.71 1bv7 s PHE 53 Ca 0.00 -0.16 0.06 0.00 -1.04 0.00 0.00 56.93 55.79 1bv7 s PHE 53 Cb 0.00 -1.50 -0.03 0.00 -1.21 0.00 0.00 43.02 40.28 1bv7 s PHE 53 CO 0.00 0.34 -0.16 0.42 -1.34 0.00 0.00 175.22 174.48 1bv7 s ILE 54 N -1.03 1.25 -0.09 -4.49 1.01 0.25 -4.96 121.20 113.14 1bv7 s ILE 54 Ca 0.17 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 1bv7 s ILE 54 Cb -0.11 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1bv7 s ILE 54 CO 0.08 -0.18 -0.05 -0.75 0.00 0.00 0.00 174.94 174.05 1bv7 s LYS 55 N -1.75 2.95 0.08 2.79 2.20 -1.26 -0.91 119.74 123.84 1bv7 s LYS 55 Ca 0.00 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.05 1bv7 s LYS 55 Cb -0.10 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1bv7 s LYS 55 CO 0.03 0.61 0.10 0.14 -0.36 0.00 0.00 175.35 175.87 1bv7 s VAL 56 N -0.66 0.17 -0.09 4.02 -7.23 0.79 -4.39 120.40 113.01 1bv7 s VAL 56 Ca 0.10 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.59 1bv7 s VAL 56 Cb -0.12 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1bv7 s VAL 56 CO 0.02 -0.76 0.53 -0.13 -0.31 0.00 0.00 175.10 174.45 1bv7 s ARG 57 N -3.90 4.33 -0.35 4.82 3.00 0.51 -0.94 118.95 126.42 1bv7 s ARG 57 Ca 0.08 0.56 -0.12 0.00 0.00 0.00 0.00 55.73 56.25 1bv7 s ARG 57 Cb 0.06 -3.41 0.00 0.00 0.00 0.00 0.00 34.95 31.60 1bv7 s ARG 57 CO -0.09 0.20 0.22 -1.14 0.00 0.00 0.00 175.30 174.48 1bv7 s GLN 58 N 0.44 3.22 -0.10 3.54 0.74 0.24 -0.48 119.66 127.27 1bv7 s GLN 58 Ca 0.29 -0.82 -0.03 0.00 0.05 0.00 0.00 55.36 54.85 1bv7 s GLN 58 Cb -0.16 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 1bv7 s GLN 58 CO 0.13 -0.54 0.01 0.71 -0.55 0.00 0.00 175.29 175.05 1bv7 s TYR 59 N 1.65 3.16 0.41 1.67 1.51 -0.57 -1.97 117.35 123.21 1bv7 s TYR 59 Ca 0.05 0.15 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1bv7 s TYR 59 Cb -0.18 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1bv7 s TYR 59 CO 0.08 0.41 0.31 -0.51 -1.11 0.00 0.00 175.55 174.73 1bv7 s ASP 60 N -0.68 4.87 -1.52 2.29 1.11 -1.26 -1.73 116.67 119.75 1bv7 s ASP 60 Ca 0.11 -0.82 -0.03 0.00 0.18 0.00 0.00 52.55 51.99 1bv7 s ASP 60 Cb -0.12 -0.58 0.00 0.00 1.07 0.00 0.00 42.92 43.30 1bv7 s ASP 60 CO 0.02 -0.59 0.33 1.67 1.18 0.00 0.00 175.17 177.79 1bv7 n GLN 61 N -1.43 -3.29 -3.18 8.23 -0.06 -0.89 -4.91 117.38 111.84 1bv7 n GLN 61 Ca 0.02 0.88 -0.39 0.00 -2.00 0.00 0.00 57.00 55.50 1bv7 n GLN 61 Cb 0.62 -5.52 -0.05 0.00 -4.06 0.00 0.00 30.24 21.23 1bv7 n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1bv7 s ILE 62 N -3.06 5.11 -0.12 1.69 -1.09 -0.21 -4.76 121.20 118.76 1bv7 s ILE 62 Ca 0.16 1.20 -0.26 0.00 -2.23 0.00 0.00 60.65 59.52 1bv7 s ILE 62 Cb -0.07 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1bv7 s ILE 62 CO 0.20 0.30 0.83 -0.22 -1.23 0.00 0.00 174.94 174.82 1bv7 s LEU 63 N 0.66 4.24 -0.05 2.97 2.96 -1.26 -0.96 118.68 127.24 1bv7 s LEU 63 Ca 0.32 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.53 1bv7 s LEU 63 Cb -0.16 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1bv7 s LEU 63 CO 0.14 -0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.07 1bv7 s ILE 64 N 1.67 1.35 -0.14 6.68 1.01 0.18 -4.36 121.20 127.58 1bv7 s ILE 64 Ca 0.41 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1bv7 s ILE 64 Cb -0.18 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1bv7 s ILE 64 CO 0.16 0.40 0.41 -1.61 0.00 0.00 0.00 174.94 174.30 1bv7 s GLU 65 N 0.20 4.30 -0.19 2.79 8.01 -0.37 0.07 118.70 133.51 1bv7 s GLU 65 Ca -0.07 0.31 -0.00 0.00 0.01 0.00 0.00 54.97 55.22 1bv7 s GLU 65 Cb -0.13 -3.45 0.05 0.00 -4.31 0.00 0.00 34.13 26.29 1bv7 s GLU 65 CO 0.03 0.15 -0.05 0.42 0.01 0.00 0.00 175.26 175.82 1bv7 s ILE 66 N 0.67 1.23 0.00 -1.63 1.01 0.15 0.18 121.20 122.81 1bv7 s ILE 66 Ca 0.22 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1bv7 s ILE 66 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1bv7 s ILE 66 CO 0.08 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1bv7 n GLY 68 N 0.00 -0.77 3.47 0.00 0.00 -1.26 -4.86 105.19 101.77 1bv7 n GLY 68 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.98 0.18 1.61 4.02 -0.42 -5.05 115.29 116.61 1bv7 s HIS 69 Ca 0.33 -0.38 -0.19 0.00 1.02 0.00 0.00 55.06 55.84 1bv7 s HIS 69 Cb 0.15 -1.93 -0.08 0.00 -1.02 0.00 0.00 32.58 29.70 1bv7 s HIS 69 CO 0.26 -0.08 0.67 0.15 1.02 0.00 0.00 174.74 176.76 1bv7 s LYS 70 N 0.36 4.22 0.10 1.40 1.02 -1.26 0.32 119.74 125.90 1bv7 s LYS 70 Ca -0.06 0.80 0.02 0.00 0.02 0.00 0.00 55.97 56.75 1bv7 s LYS 70 Cb -0.15 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1bv7 s LYS 70 CO 0.04 0.46 -0.06 0.00 -0.92 0.00 0.00 175.35 174.86 1bv7 s ALA 71 N -1.43 1.01 -0.08 5.17 0.00 0.11 -4.93 121.76 121.61 1bv7 s ALA 71 Ca 0.40 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1bv7 s ALA 71 Cb -0.17 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1bv7 s ALA 71 CO 0.21 -0.23 -0.13 -1.50 0.00 0.00 0.00 175.76 174.11 1bv7 s ILE 72 N -3.61 1.23 0.00 0.00 1.10 -1.26 -0.65 121.20 118.01 1bv7 s ILE 72 Ca 0.12 -0.50 0.00 0.00 -0.51 0.00 0.00 60.65 59.76 1bv7 s ILE 72 Cb 0.05 -1.14 0.00 0.00 0.15 0.00 0.00 42.46 41.52 1bv7 s ILE 72 CO -0.04 0.38 0.00 0.61 -2.11 0.00 0.00 174.94 173.78 1bv7 n GLY 73 N 4.06 2.04 3.77 1.50 0.00 -0.13 -4.86 105.19 111.57 1bv7 n GLY 73 Ca -0.20 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.80 4.95 -0.03 2.61 2.01 -1.26 -1.05 115.64 120.07 1bv7 s THR 74 Ca 0.00 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1bv7 s THR 74 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1bv7 s THR 74 CO 0.00 0.44 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 1bv7 s VAL 75 N -0.30 1.01 -0.10 3.82 1.01 -0.71 -4.55 120.40 120.59 1bv7 s VAL 75 Ca 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1bv7 s VAL 75 Cb -0.18 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1bv7 s VAL 75 CO 0.16 0.31 0.00 -0.76 0.00 0.00 0.00 175.10 174.81 1bv7 s LEU 76 N 0.20 3.58 -0.06 3.92 1.02 -0.63 -1.51 118.68 125.19 1bv7 s LEU 76 Ca -0.04 0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.27 1bv7 s LEU 76 Cb -0.10 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 1bv7 s LEU 76 CO 0.01 0.34 -0.23 -0.69 0.02 0.00 0.00 176.35 175.80 1bv7 s VAL 77 N -0.65 1.92 -2.82 -1.59 1.01 0.37 -0.57 120.40 118.07 1bv7 s VAL 77 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1bv7 s VAL 77 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1bv7 s VAL 77 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1bv7 n GLY 78 N 3.12 -0.58 2.41 4.51 0.00 -0.28 -0.36 105.19 114.02 1bv7 n GLY 78 Ca -0.18 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 1bv7 n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bv7 n PRO 79 N 0.00 2.00 -3.56 1.61 -0.02 -1.26 -2.96 135.00 130.81 1bv7 n PRO 79 Ca 0.00 -1.25 -0.25 0.00 -2.02 0.00 0.00 63.50 59.98 1bv7 n PRO 79 Cb 0.00 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.20 1bv7 n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1bv7 s THR 80 N 2.63 5.15 -1.33 3.45 -1.32 -1.26 -5.00 115.64 117.96 1bv7 s THR 80 Ca 0.45 -0.50 0.26 0.00 -1.21 0.00 0.00 61.69 60.69 1bv7 s THR 80 Cb 0.15 -3.82 0.17 0.00 -1.51 0.00 0.00 72.50 67.49 1bv7 s THR 80 CO -0.02 -0.40 1.56 -0.81 -2.21 0.00 0.00 174.62 172.73 1bv7 n PRO 81 N -1.37 0.36 -3.98 7.08 -0.04 -1.26 -4.71 135.00 131.08 1bv7 n PRO 81 Ca -0.05 -0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.14 1bv7 n PRO 81 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1bv7 n PRO 81 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bv7 s PHE 82 N -2.77 0.34 -0.05 0.54 0.08 -1.26 -5.05 117.98 109.81 1bv7 s PHE 82 Ca 0.18 -0.81 -0.25 0.00 0.12 0.00 0.00 56.93 56.17 1bv7 s PHE 82 Cb 0.18 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1bv7 s PHE 82 CO 0.60 -0.43 0.75 -0.80 -0.10 0.00 0.00 175.22 175.24 1bv7 s ASN 83 N -2.77 7.07 -0.14 1.36 0.01 -1.26 -4.42 114.94 114.78 1bv7 s ASN 83 Ca 0.04 1.29 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 1bv7 s ASN 83 Cb 0.05 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1bv7 s ASN 83 CO -0.10 -0.13 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.59 1bv7 s ILE 84 N 0.76 2.83 -0.13 0.60 -1.09 0.70 -1.25 121.20 123.63 1bv7 s ILE 84 Ca 0.40 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 58.05 1bv7 s ILE 84 Cb -0.18 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1bv7 s ILE 84 CO 0.20 0.52 0.04 0.27 -1.23 0.00 0.00 174.94 174.74 1bv7 s ILE 85 N 0.61 4.60 0.00 2.92 -4.36 -0.11 -0.96 121.20 123.90 1bv7 s ILE 85 Ca -0.08 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.18 1bv7 s ILE 85 Cb -0.16 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.56 1bv7 s ILE 85 CO 0.03 0.56 0.00 0.61 0.24 0.00 0.00 174.94 176.38 1bv7 n GLY 86 N 2.65 5.01 0.23 6.27 0.00 -1.26 -1.91 105.19 116.19 1bv7 n GLY 86 Ca -0.18 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 1.61 3.08 -0.15 -1.58 114.38 117.34 1bv7 h ARG 87 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1bv7 h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bv7 h ARG 87 CO 0.00 0.19 -0.06 -2.95 -1.07 0.00 0.00 179.97 176.08 1bv7 h ASN 88 N 0.00 0.00 0.04 7.04 -1.07 -1.77 -2.21 115.58 117.62 1bv7 h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 1bv7 h ASN 88 Cb 0.63 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.81 1bv7 h ASN 88 CO 0.03 0.06 -2.34 0.18 0.07 0.00 0.00 177.43 175.43 1bv7 n LEU 89 N -4.00 0.54 -0.36 6.14 4.32 -0.99 -4.35 117.00 118.30 1bv7 n LEU 89 Ca -0.03 0.02 0.05 0.00 -0.02 0.00 0.00 56.01 56.03 1bv7 n LEU 89 Cb 0.15 0.24 0.21 0.00 -1.62 0.00 0.00 43.42 42.40 1bv7 n LEU 89 CO 0.31 0.56 1.25 -0.07 -1.22 0.00 0.00 177.39 178.22 1bv7 h LEU 90 N 0.00 0.97 -1.82 2.23 4.07 -1.09 0.48 115.31 120.15 1bv7 h LEU 90 Ca -0.53 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.43 1bv7 h LEU 90 Cb 2.18 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 43.74 1bv7 h LEU 90 CO 0.02 0.58 -0.15 0.74 -1.08 0.00 0.00 178.44 178.55 1bv7 h THR 91 N 1.08 0.82 0.00 0.22 2.02 -1.62 -1.10 112.91 114.32 1bv7 h THR 91 Ca 0.46 -0.56 -0.23 0.00 0.77 0.00 0.00 66.41 66.85 1bv7 h THR 91 Cb 0.32 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1bv7 h THR 91 CO -0.21 0.14 -1.26 1.56 0.37 0.00 0.00 175.52 176.12 1bv7 h GLN 92 N 0.00 0.00 -0.16 6.66 4.20 -0.29 -3.08 115.11 122.44 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 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1bv7 h GLN 92 CO 0.02 0.74 0.00 0.44 -0.67 0.00 0.00 178.83 179.36 1bv7 n ILE 93 N -3.20 0.21 -2.96 2.54 -5.35 -0.55 -4.92 119.36 105.13 1bv7 n ILE 93 Ca -0.07 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 1bv7 n ILE 93 Cb 0.97 0.15 0.04 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.95 0.22 3.73 3.28 0.00 -0.97 -5.00 105.19 107.40 1bv7 n GLY 94 Ca 0.12 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.25 2.98 -0.17 0.00 -4.23 -1.26 -4.84 115.64 107.87 1bv7 s THR 96 Ca 0.45 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 1bv7 s THR 96 Cb -0.24 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1bv7 s THR 96 CO 0.30 0.19 0.10 -0.22 -0.54 0.00 0.00 174.62 174.45 1bv7 s LEU 97 N -1.90 4.08 -0.07 4.79 2.96 -1.26 -5.07 118.68 122.21 1bv7 s LEU 97 Ca 0.18 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1bv7 s LEU 97 Cb -0.11 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.57 1bv7 s LEU 97 CO 0.09 0.23 -0.07 0.21 -1.32 0.00 0.00 176.35 175.50 1bv7 s ASN 98 N 0.03 1.51 0.00 3.68 2.47 -1.26 -5.30 114.94 116.08 1bv7 s ASN 98 Ca 0.08 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1bv7 s ASN 98 Cb -0.12 -0.64 0.00 0.00 -1.45 0.00 0.00 41.25 39.04 1bv7 s ASN 98 CO 0.00 -0.06 0.00 2.22 -3.72 0.00 0.00 177.10 175.54