#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1voq s ILE 4 N 0.00 2.66 -0.03 -0.18 1.01 -1.26 -4.70 121.20 118.71 1voq s ILE 4 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.68 1voq s ILE 4 Cb 0.00 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1voq s ILE 4 CO 0.00 0.47 -0.25 -0.60 0.00 0.00 0.00 174.94 174.56 1voq s ARG 5 N -1.02 2.18 0.26 2.79 3.52 -0.58 -2.92 118.95 123.18 1voq s ARG 5 Ca 0.12 -0.91 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1voq s ARG 5 Cb -0.10 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.17 1voq s ARG 5 CO 0.02 0.55 0.15 0.42 -0.81 0.00 0.00 175.30 175.63 1voq s ILE 6 N -0.58 0.21 -0.20 4.11 1.01 -1.25 0.25 121.20 124.75 1voq s ILE 6 Ca 0.09 -2.00 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 1voq s ILE 6 Cb -0.10 -2.53 0.14 0.00 0.01 0.00 0.00 42.46 39.97 1voq s ILE 6 CO -0.00 0.00 1.06 -0.75 0.00 0.00 0.00 174.94 175.25 1voq s LYS 7 N -3.93 0.50 0.45 2.79 2.20 -1.21 -4.47 119.74 116.07 1voq s LYS 7 Ca 0.38 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1voq s LYS 7 Cb 0.06 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 1voq s LYS 7 CO 0.16 -0.14 0.08 -0.51 -0.36 0.00 0.00 175.35 174.58 1voq s LEU 8 N -0.80 2.14 -0.03 5.43 1.43 0.16 -4.01 118.68 123.00 1voq s LEU 8 Ca 0.01 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.15 1voq s LEU 8 Cb -0.02 -0.37 0.11 0.00 0.03 0.00 0.00 46.19 45.94 1voq s LEU 8 CO -0.02 -0.88 1.13 0.00 0.23 0.00 0.00 176.35 176.81 1voq s ARG 9 N -3.78 0.61 0.00 1.70 1.70 -1.26 -2.51 118.95 115.41 1voq s ARG 9 Ca 0.18 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 1voq s ARG 9 Cb 0.03 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1voq s ARG 9 CO 0.10 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 1voq n GLY 10 N -0.33 -2.43 0.00 3.88 0.00 -1.18 -3.45 105.19 101.67 1voq n GLY 10 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1voq n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1voq n PHE 11 N -0.71 0.00 -1.54 1.61 0.99 -1.26 -2.96 117.46 113.59 1voq n PHE 11 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.10 1voq n PHE 11 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 1voq n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1voq n ASP 12 N -0.32 1.80 0.23 4.37 -0.08 -1.26 -4.75 116.55 116.54 1voq n ASP 12 Ca 0.00 -0.48 0.16 0.00 -1.51 0.00 0.00 54.79 52.96 1voq n ASP 12 Cb 0.00 -1.45 0.77 0.00 2.34 0.00 0.00 41.12 42.79 1voq n ASP 12 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1voq h HIS 13 N 17.43 0.00 -0.09 -0.67 2.07 -1.97 -1.50 115.15 130.42 1voq h HIS 13 Ca -0.18 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.37 1voq h HIS 13 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 1voq h HIS 13 CO 1.01 0.00 0.07 0.87 -3.07 0.00 0.00 177.93 176.81 1voq h LYS 14 N 0.00 0.00 0.00 5.12 1.57 -2.00 0.66 116.57 121.92 1voq h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1voq h LYS 14 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1voq h LYS 14 CO 0.00 0.00 -1.46 -2.37 -0.57 0.00 0.00 179.45 175.05 1voq n THR 15 N -4.35 0.00 0.10 -0.16 5.66 -0.64 -4.07 114.28 110.82 1voq n THR 15 Ca -0.01 -0.28 -0.05 0.00 -3.05 0.00 0.00 64.05 60.67 1voq n THR 15 Cb 0.18 0.30 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 1voq n THR 15 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1voq h LEU 16 N 0.00 -0.25 -2.36 1.09 3.38 -0.59 0.19 115.31 116.77 1voq h LEU 16 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1voq h LEU 16 Cb 0.54 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1voq h LEU 16 CO 0.00 -0.02 0.09 0.44 0.09 0.00 0.00 178.44 179.04 1voq h ASP 17 N -0.61 0.00 0.10 -0.43 3.32 -1.17 0.48 116.42 118.11 1voq h ASP 17 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1voq h ASP 17 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1voq h ASP 17 CO 0.05 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.52 1voq h ALA 18 N 1.89 -0.61 -0.34 3.45 0.00 -1.68 -3.11 119.26 118.87 1voq h ALA 18 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1voq h ALA 18 Cb 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1voq h ALA 18 CO -0.00 -0.60 0.50 1.03 0.00 0.00 0.00 179.25 180.18 1voq h SER 19 N -0.20 0.00 0.00 0.00 0.87 -0.07 -2.90 113.55 111.25 1voq h SER 19 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1voq h SER 19 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1voq h SER 19 CO 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.32 1voq n ALA 20 N -2.19 -0.04 0.53 6.23 0.00 0.16 -2.40 120.51 122.80 1voq n ALA 20 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1voq n ALA 20 Cb 0.65 0.14 0.32 0.00 0.00 0.00 0.00 19.45 20.55 1voq n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1voq n GLN 21 N -1.00 0.04 -0.09 0.00 3.00 -1.19 -1.79 117.38 116.36 1voq n GLN 21 Ca 0.00 0.23 0.23 0.00 -0.01 0.00 0.00 57.00 57.45 1voq n GLN 21 Cb 0.00 -1.50 0.67 0.00 0.00 0.00 0.00 30.24 29.41 1voq n GLN 21 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1voq h LYS 22 N 0.00 0.06 0.00 -1.09 3.64 -1.27 -2.08 116.57 115.84 1voq h LYS 22 Ca 0.00 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1voq h LYS 22 Cb 0.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1voq h LYS 22 CO 0.00 0.04 -1.39 -0.89 -2.27 0.00 0.00 179.45 174.94 1voq n ILE 23 N -4.36 0.39 0.16 2.00 -0.00 -0.99 -4.60 119.36 111.96 1voq n ILE 23 Ca 0.14 -0.17 -0.14 0.00 -0.00 0.00 0.00 62.75 62.57 1voq n ILE 23 Cb 0.73 -0.78 -0.07 0.00 -0.00 0.00 0.00 39.64 39.52 1voq n ILE 23 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1voq h VAL 24 N 0.00 0.28 -0.70 1.39 2.07 -1.22 -1.71 116.25 116.36 1voq h VAL 24 Ca -0.15 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.56 1voq h VAL 24 Cb 1.27 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1voq h VAL 24 CO -0.01 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.74 1voq h GLU 25 N -0.64 0.06 -2.13 1.57 5.08 -1.65 -2.74 114.58 114.14 1voq h GLU 25 Ca 0.01 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1voq h GLU 25 Cb 0.62 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1voq h GLU 25 CO -0.14 0.04 -0.16 0.00 -1.00 0.00 0.00 179.01 177.75 1voq n ALA 26 N -2.65 4.86 0.00 3.43 0.00 -0.64 -3.21 120.51 122.29 1voq n ALA 26 Ca 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1voq n ALA 26 Cb 0.73 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1voq n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1voq n ALA 27 N 2.29 0.73 0.30 0.00 0.00 -1.03 -4.71 120.51 118.09 1voq n ALA 27 Ca 0.25 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.87 1voq n ALA 27 Cb 0.65 0.00 0.96 0.00 0.00 0.00 0.00 19.45 21.07 1voq n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1voq h ARG 28 N 0.00 0.00 -0.51 0.00 3.08 -1.74 0.11 114.38 115.32 1voq h ARG 28 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1voq h ARG 28 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1voq h ARG 28 CO 0.00 0.00 0.47 0.00 -1.07 0.00 0.00 179.97 179.37 1voq h ARG 29 N 0.00 0.00 0.00 0.04 3.08 -1.89 -3.21 114.38 112.40 1voq h ARG 29 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1voq h ARG 29 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1voq h ARG 29 CO -0.00 0.00 -0.04 -1.13 -1.07 0.00 0.00 179.97 177.73 1voq n SER 30 N -3.91 0.20 -4.29 7.04 3.41 -0.54 -5.10 113.62 110.43 1voq n SER 30 Ca 0.10 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 1voq n SER 30 Cb 0.68 0.07 0.17 0.00 -0.26 0.00 0.00 64.21 64.86 1voq n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1voq s GLY 31 N -0.11 1.76 0.00 5.00 0.00 0.26 -4.79 107.32 109.44 1voq s GLY 31 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1voq s GLY 31 CO 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 173.10 172.58 1voq n ALA 32 N -3.58 0.00 0.41 3.20 0.00 -1.26 -4.77 120.51 114.51 1voq n ALA 32 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1voq n ALA 32 Cb 0.60 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.36 1voq n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1voq n GLN 33 N 0.00 0.04 -1.22 0.00 7.27 -1.26 -4.81 117.38 117.40 1voq n GLN 33 Ca 0.00 0.32 0.15 0.00 0.07 0.00 0.00 57.00 57.54 1voq n GLN 33 Cb 0.00 -1.57 -0.08 0.00 2.41 0.00 0.00 30.24 31.00 1voq n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1voq n VAL 34 N -1.64 -0.71 0.00 1.69 0.31 -1.26 -4.73 118.33 112.00 1voq n VAL 34 Ca 0.03 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 1voq n VAL 34 Cb 0.16 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1voq n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1voq n SER 35 N -3.99 0.00 0.00 4.52 7.64 -1.26 -5.03 113.62 115.50 1voq n SER 35 Ca -0.08 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1voq n SER 35 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1voq n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1voq n GLY 36 N -0.57 3.36 3.57 0.23 0.00 -1.26 -5.01 105.19 105.51 1voq n GLY 36 Ca 0.00 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1voq n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1voq s PRO 37 N -2.50 2.96 -0.37 1.61 0.04 -1.26 -4.81 135.00 130.66 1voq s PRO 37 Ca 0.00 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1voq s PRO 37 Cb 0.00 -4.29 0.10 0.00 0.04 0.00 0.00 34.50 30.35 1voq s PRO 37 CO 0.00 -2.32 0.13 0.96 0.04 0.00 0.00 177.00 175.80 1voq s ILE 38 N 8.05 2.79 0.25 0.56 -4.36 -1.26 -5.00 121.20 122.23 1voq s ILE 38 Ca 0.72 -2.19 -0.04 0.00 -0.26 0.00 0.00 60.65 58.88 1voq s ILE 38 Cb -0.17 -2.97 0.23 0.00 1.25 0.00 0.00 42.46 40.80 1voq s ILE 38 CO 0.27 -0.64 1.72 1.55 0.24 0.00 0.00 174.94 178.07 1voq h PRO 39 N 7.83 0.39 -2.96 0.37 0.13 -1.92 -3.41 132.00 132.43 1voq h PRO 39 Ca -0.09 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1voq h PRO 39 Cb 1.03 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1voq h PRO 39 CO 0.61 0.26 -0.75 1.28 -0.23 0.00 0.00 178.00 179.17 1voq n LEU 40 N -5.04 -1.57 -4.35 1.56 4.77 -1.26 -4.09 117.00 107.03 1voq n LEU 40 Ca 0.15 2.33 -0.35 0.00 -0.03 0.00 0.00 56.01 58.11 1voq n LEU 40 Cb 0.45 -2.24 0.08 0.00 -2.33 0.00 0.00 43.42 39.37 1voq n LEU 40 CO 0.16 -0.27 -0.29 -0.81 -1.33 0.00 0.00 177.39 174.86 1voq n PRO 41 N -1.83 0.03 -3.41 3.23 -0.04 -1.26 -4.60 135.00 127.13 1voq n PRO 41 Ca 0.00 0.05 -0.44 0.00 -0.04 0.00 0.00 63.50 63.06 1voq n PRO 41 Cb 0.24 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1voq n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1voq s THR 42 N -2.09 4.98 -1.06 0.52 2.01 -1.25 -4.39 115.64 114.36 1voq s THR 42 Ca 0.57 -2.05 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 1voq s THR 42 Cb -0.29 -4.17 -0.15 0.00 0.01 0.00 0.00 72.50 67.91 1voq s THR 42 CO 0.66 -0.90 2.07 -0.13 -0.69 0.00 0.00 174.62 175.63 1voq s ARG 43 N 0.88 1.83 0.67 4.92 0.52 -1.22 -4.76 118.95 121.79 1voq s ARG 43 Ca 0.10 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 1voq s ARG 43 Cb -0.21 -5.05 -0.01 0.00 0.52 0.00 0.00 34.95 30.20 1voq s ARG 43 CO -0.03 -4.61 1.11 0.28 0.02 0.00 0.00 175.30 172.08 1voq n VAL 44 N 8.46 3.87 -3.70 3.52 0.31 -1.26 -4.31 118.33 125.21 1voq n VAL 44 Ca 0.43 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 1voq n VAL 44 Cb 0.46 -1.27 -0.15 0.00 -0.91 0.00 0.00 33.84 31.97 1voq n VAL 44 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1voq s ARG 45 N -3.27 0.63 -0.22 5.55 1.81 -0.89 -5.01 118.95 117.55 1voq s ARG 45 Ca 0.78 -0.96 -0.15 0.00 -1.72 0.00 0.00 55.73 53.68 1voq s ARG 45 Cb -0.37 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 1voq s ARG 45 CO 0.45 -0.98 0.38 1.03 -0.68 0.00 0.00 175.30 175.50 1voq s ARG 46 N 1.70 4.14 0.53 3.54 1.81 -1.26 -1.09 118.95 128.32 1voq s ARG 46 Ca 0.09 0.14 0.06 0.00 -1.72 0.00 0.00 55.73 54.30 1voq s ARG 46 Cb -0.17 -3.56 0.03 0.00 -0.45 0.00 0.00 34.95 30.80 1voq s ARG 46 CO -0.26 -0.07 0.41 -0.06 -0.68 0.00 0.00 175.30 174.63 1voq s PHE 47 N 1.42 1.78 -0.28 -0.53 0.40 0.21 -4.92 117.98 116.06 1voq s PHE 47 Ca 0.18 -0.79 -0.15 0.00 -0.60 0.00 0.00 56.93 55.57 1voq s PHE 47 Cb -0.15 -1.96 0.09 0.00 0.51 0.00 0.00 43.02 41.51 1voq s PHE 47 CO 0.08 -0.44 0.69 0.99 0.70 0.00 0.00 175.22 177.24 1voq s THR 48 N -2.73 -0.13 -0.17 0.64 2.01 -1.26 0.94 115.64 114.94 1voq s THR 48 Ca 0.37 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1voq s THR 48 Cb -0.02 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.51 1voq s THR 48 CO 0.23 0.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.30 1voq s VAL 49 N 1.80 1.82 -0.15 3.82 1.01 -0.08 -4.91 120.40 123.70 1voq s VAL 49 Ca -0.09 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1voq s VAL 49 Cb -0.06 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1voq s VAL 49 CO -0.20 0.49 1.81 -0.63 0.00 0.00 0.00 175.10 176.57 1voq s ILE 50 N 1.38 3.41 -0.27 2.22 1.01 -1.26 -3.64 121.20 124.05 1voq s ILE 50 Ca 0.05 0.47 0.26 0.00 0.00 0.00 0.00 60.65 61.42 1voq s ILE 50 Cb -0.13 -3.41 0.27 0.00 0.01 0.00 0.00 42.46 39.21 1voq s ILE 50 CO -0.12 -0.16 1.78 0.03 0.00 0.00 0.00 174.94 176.47 1voq h ARG 51 N 11.42 0.00 -0.95 2.79 3.08 -1.80 -3.43 114.38 125.49 1voq h ARG 51 Ca -0.39 0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.83 1voq h ARG 51 Cb 1.19 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.01 1voq h ARG 51 CO 0.98 0.00 0.11 0.20 -1.07 0.00 0.00 179.97 180.18 1voq s GLY 52 N -3.67 -0.38 0.00 0.04 0.00 -1.26 -4.92 107.32 97.12 1voq s GLY 52 Ca 0.02 2.77 0.00 0.00 0.00 0.00 0.00 44.72 47.50 1voq s GLY 52 CO 0.37 3.37 0.00 -1.55 0.00 0.00 0.00 173.10 175.29 1voq n PRO 53 N 5.19 0.21 -2.69 2.90 -0.04 -1.26 -4.77 135.00 134.54 1voq n PRO 53 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1voq n PRO 53 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1voq n PRO 53 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1voq n PHE 54 N -1.36 -3.78 -0.51 0.54 3.01 -1.26 -4.91 117.46 109.19 1voq n PHE 54 Ca 0.00 2.19 0.04 0.00 1.01 0.00 0.00 57.45 60.70 1voq n PHE 54 Cb 0.00 -3.46 -0.01 0.00 -0.01 0.00 0.00 39.48 36.00 1voq n PHE 54 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1voq n LYS 55 N 1.85 -0.66 -3.29 -1.08 2.85 -1.26 -4.92 118.16 111.64 1voq n LYS 55 Ca -0.36 0.43 -0.22 0.00 -1.05 0.00 0.00 58.31 57.12 1voq n LYS 55 Cb 0.55 -0.80 0.02 0.00 -0.65 0.00 0.00 35.03 34.15 1voq n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1voq n HIS 56 N -1.35 -2.88 -0.19 5.58 8.25 -1.26 -4.73 115.22 118.65 1voq n HIS 56 Ca 0.00 1.17 -0.01 0.00 -0.26 0.00 0.00 57.72 58.62 1voq n HIS 56 Cb 0.15 -2.97 -0.02 0.00 1.12 0.00 0.00 29.99 28.27 1voq n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1voq n LYS 57 N -0.83 0.38 -2.91 -0.41 2.85 -1.26 -4.36 118.16 111.62 1voq n LYS 57 Ca -0.05 -0.12 -0.17 0.00 -1.05 0.00 0.00 58.31 56.92 1voq n LYS 57 Cb 0.59 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.47 1voq n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1voq n ASP 58 N 2.34 1.78 0.00 -5.58 8.00 -1.26 -4.98 116.55 116.85 1voq n ASP 58 Ca 0.05 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.51 1voq n ASP 58 Cb 0.18 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1voq n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1voq n SER 59 N 0.03 0.00 0.00 -2.24 7.64 -1.26 -5.04 113.62 112.75 1voq n SER 59 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1voq n SER 59 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 1voq n SER 59 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1voq n ARG 60 N 0.00 0.00 0.00 1.43 3.00 -1.25 -4.61 116.66 115.23 1voq n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1voq n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1voq n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1voq n GLU 61 N 14.00 0.00 -2.92 -0.14 2.13 -1.24 -3.19 120.64 129.28 1voq n GLU 61 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1voq n GLU 61 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.78 1voq n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1voq s HIS 62 N -2.09 1.54 0.26 4.31 3.76 -1.26 -0.90 115.29 120.90 1voq s HIS 62 Ca 0.00 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 1voq s HIS 62 Cb 0.00 -2.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 1voq s HIS 62 CO 0.00 -1.25 0.23 -0.06 -0.85 0.00 0.00 174.74 172.81 1voq s PHE 63 N -2.77 1.31 0.22 1.40 0.40 0.27 -4.76 117.98 114.06 1voq s PHE 63 Ca 0.63 -1.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.30 1voq s PHE 63 Cb -0.06 -0.53 0.05 0.00 0.51 0.00 0.00 43.02 42.99 1voq s PHE 63 CO 0.40 -0.78 0.87 -1.83 0.70 0.00 0.00 175.22 174.58 1voq s GLU 64 N -3.81 1.50 -0.27 0.44 4.04 -1.26 0.67 118.70 120.02 1voq s GLU 64 Ca 0.38 -0.86 -0.22 0.00 0.04 0.00 0.00 54.97 54.31 1voq s GLU 64 Cb 0.04 0.49 0.07 0.00 0.02 0.00 0.00 34.13 34.76 1voq s GLU 64 CO 0.18 -0.69 0.71 -1.17 -1.84 0.00 0.00 175.26 172.45 1voq s LEU 65 N -2.99 -0.82 0.59 1.83 0.20 -0.25 -4.89 118.68 112.34 1voq s LEU 65 Ca 0.13 1.47 -0.07 0.00 0.69 0.00 0.00 54.13 56.36 1voq s LEU 65 Cb -0.03 2.44 -0.00 0.00 -0.43 0.00 0.00 46.19 48.17 1voq s LEU 65 CO 0.05 -0.25 0.91 0.00 -0.29 0.00 0.00 176.35 176.78 1voq s ARG 66 N 0.83 3.06 -0.12 1.98 1.70 -1.26 -2.10 118.95 123.03 1voq s ARG 66 Ca -0.04 0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.31 1voq s ARG 66 Cb -0.05 -2.25 0.06 0.00 -0.57 0.00 0.00 34.95 32.14 1voq s ARG 66 CO -0.06 -0.65 0.23 0.99 -1.08 0.00 0.00 175.30 174.72 1voq s THR 67 N -3.01 -0.36 -0.34 4.99 2.01 -1.26 -4.77 115.64 112.90 1voq s THR 67 Ca 0.53 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 1voq s THR 67 Cb -0.11 -0.42 0.12 0.00 0.01 0.00 0.00 72.50 72.10 1voq s THR 67 CO 0.46 0.10 0.16 -1.00 -0.69 0.00 0.00 174.62 173.65 1voq s HIS 68 N 2.37 1.34 0.19 4.92 3.76 -1.15 -3.41 115.29 123.31 1voq s HIS 68 Ca 0.02 -1.72 0.04 0.00 -0.15 0.00 0.00 55.06 53.25 1voq s HIS 68 Cb -0.12 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1voq s HIS 68 CO -0.08 -0.84 0.32 0.54 -0.85 0.00 0.00 174.74 173.83 1voq s ASN 69 N 1.32 6.32 0.42 1.40 4.22 -1.26 -3.22 114.94 124.14 1voq s ASN 69 Ca 0.13 0.12 0.03 0.00 -2.14 0.00 0.00 52.86 51.00 1voq s ASN 69 Cb -0.20 -1.88 -0.04 0.00 1.28 0.00 0.00 41.25 40.42 1voq s ASN 69 CO -0.17 -0.00 0.06 -0.13 -2.04 0.00 0.00 177.10 174.82 1voq s ARG 70 N -3.56 1.96 0.00 3.55 1.81 -1.05 -4.01 118.95 117.65 1voq s ARG 70 Ca 0.34 -2.19 0.00 0.00 -1.72 0.00 0.00 55.73 52.17 1voq s ARG 70 Cb -0.10 -1.06 0.00 0.00 -0.45 0.00 0.00 34.95 33.34 1voq s ARG 70 CO 0.29 -0.34 0.00 -0.11 -0.68 0.00 0.00 175.30 174.46 1voq n LEU 71 N -0.98 0.00 0.00 2.53 -0.00 -1.26 -0.67 117.00 116.62 1voq n LEU 71 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1voq n LEU 71 Cb 0.66 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.11 1voq n LEU 71 CO 0.39 -0.40 0.00 0.52 -0.00 0.00 0.00 177.39 177.90 1voq n VAL 72 N -2.30 0.00 -2.64 1.96 0.31 -1.26 -3.34 118.33 111.05 1voq n VAL 72 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1voq n VAL 72 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1voq n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1voq n ASP 73 N 4.04 -1.79 -3.92 4.52 2.03 -1.26 -4.71 116.55 115.46 1voq n ASP 73 Ca 0.00 1.34 -0.29 0.00 0.52 0.00 0.00 54.79 56.35 1voq n ASP 73 Cb 0.00 -4.77 -0.13 0.00 -0.72 0.00 0.00 41.12 35.49 1voq n ASP 73 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1voq s ILE 74 N -0.57 2.61 0.40 5.18 1.01 -1.15 -4.76 121.20 123.92 1voq s ILE 74 Ca -0.24 -3.58 -0.27 0.00 0.00 0.00 0.00 60.65 56.56 1voq s ILE 74 Cb 0.02 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.61 1voq s ILE 74 CO 0.64 -0.87 1.46 -0.38 0.00 0.00 0.00 174.94 175.79 1voq n ILE 75 N 2.77 2.28 -3.04 2.92 5.41 -1.26 -3.51 119.36 124.93 1voq n ILE 75 Ca 0.10 -0.50 -0.06 0.00 1.00 0.00 0.00 62.75 63.29 1voq n ILE 75 Cb 0.33 -1.91 0.01 0.00 -0.71 0.00 0.00 39.64 37.35 1voq n ILE 75 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1voq n ASN 76 N 0.24 -7.63 -3.45 4.38 3.02 -1.26 -4.47 115.26 106.09 1voq n ASN 76 Ca 0.03 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1voq n ASN 76 Cb 0.40 -5.03 0.00 0.00 -0.61 0.00 0.00 39.78 34.53 1voq n ASN 76 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1voq n PRO 77 N -1.22 1.14 -3.38 3.52 -0.04 -1.23 -4.89 135.00 128.90 1voq n PRO 77 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1voq n PRO 77 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 1voq n PRO 77 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1voq s ASN 78 N -1.45 0.66 0.00 3.54 0.01 -1.26 -5.04 114.94 111.40 1voq s ASN 78 Ca 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1voq s ASN 78 Cb 0.00 0.88 0.00 0.00 0.41 0.00 0.00 41.25 42.54 1voq s ASN 78 CO 0.00 -0.32 0.00 -1.14 -1.51 0.00 0.00 177.10 174.13 1voq n ARG 79 N 5.35 0.00 -0.03 -0.60 0.00 -1.26 0.13 116.66 120.25 1voq n ARG 79 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1voq n ARG 79 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1voq n ARG 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1voq n LYS 80 N 0.00 0.39 0.00 -0.14 4.81 -1.26 -0.72 118.16 121.24 1voq n LYS 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1voq n LYS 80 Cb 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1voq n LYS 80 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1voq n THR 81 N 0.94 0.00 0.00 3.15 -1.04 0.34 -4.60 114.28 113.07 1voq n THR 81 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1voq n THR 81 Cb 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1voq n THR 81 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1voq n ILE 82 N -0.06 0.00 1.16 12.58 5.41 0.11 -4.08 119.36 134.49 1voq n ILE 82 Ca 0.00 0.41 0.10 0.00 1.00 0.00 0.00 62.75 64.26 1voq n ILE 82 Cb 0.00 -1.29 0.57 0.00 -0.71 0.00 0.00 39.64 38.20 1voq n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1voq n GLU 83 N -1.91 0.53 0.00 0.38 2.13 -1.03 -2.83 120.64 117.91 1voq n GLU 83 Ca 0.00 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1voq n GLU 83 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1voq n GLU 83 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1voq n GLN 84 N -1.08 0.00 0.19 5.31 7.27 -1.25 -4.38 117.38 123.44 1voq n GLN 84 Ca 0.13 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.39 1voq n GLN 84 Cb 0.09 0.00 0.77 0.00 2.41 0.00 0.00 30.24 33.51 1voq n GLN 84 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1voq h LEU 85 N 0.00 0.00 0.00 1.69 3.38 -1.75 -3.44 115.31 115.19 1voq h LEU 85 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1voq h LEU 85 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1voq h LEU 85 CO 0.00 0.00 0.00 0.80 0.09 0.00 0.00 178.44 179.33 1voq n MET 86 N -3.40 0.00 -0.26 1.13 1.56 -1.13 -0.90 117.12 114.12 1voq n MET 86 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1voq n MET 86 Cb 0.53 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.90 1voq n MET 86 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1voq n THR 87 N 0.00 0.00 -1.61 1.12 -1.04 -1.26 -5.03 114.28 106.46 1voq n THR 87 Ca 0.00 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.48 1voq n THR 87 Cb 0.00 0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 1voq n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1voq n LEU 88 N 0.00 1.67 -2.68 -4.42 4.77 -0.08 -4.88 117.00 111.38 1voq n LEU 88 Ca 0.00 1.11 -0.05 0.00 -0.03 0.00 0.00 56.01 57.05 1voq n LEU 88 Cb 0.58 -1.17 0.11 0.00 -2.33 0.00 0.00 43.42 40.61 1voq n LEU 88 CO 0.00 -0.99 0.63 -0.90 -1.33 0.00 0.00 177.39 174.80 1voq n ASP 89 N 2.93 -1.51 0.51 -1.43 5.75 -1.26 -5.08 116.55 116.46 1voq n ASP 89 Ca 0.20 -2.31 -0.21 0.00 -0.01 0.00 0.00 54.79 52.46 1voq n ASP 89 Cb 0.17 1.33 -0.10 0.00 -1.03 0.00 0.00 41.12 41.49 1voq n ASP 89 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1voq h LEU 90 N 2.42 -1.14 0.00 -2.12 6.46 -2.04 -3.46 115.31 115.44 1voq h LEU 90 Ca -0.26 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.43 1voq h LEU 90 Cb 1.19 0.30 0.06 0.00 -0.73 0.00 0.00 40.66 41.48 1voq h LEU 90 CO 0.02 -0.80 -0.05 -0.81 -0.62 0.00 0.00 178.44 176.19 1voq n PRO 91 N -5.66 -1.43 -4.17 5.25 -0.04 -1.26 -5.04 135.00 122.65 1voq n PRO 91 Ca -0.16 -0.44 -0.24 0.00 -0.04 0.00 0.00 63.50 62.62 1voq n PRO 91 Cb 0.52 -0.74 -0.17 0.00 -0.04 0.00 0.00 33.50 33.08 1voq n PRO 91 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1voq s THR 92 N -1.30 0.83 0.00 0.52 2.01 -1.26 -4.87 115.64 111.57 1voq s THR 92 Ca 0.20 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1voq s THR 92 Cb -0.04 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1voq s THR 92 CO 0.17 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1voq n GLY 93 N 4.36 0.00 3.27 4.40 0.00 -1.26 -5.06 105.19 110.91 1voq n GLY 93 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1voq n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1voq s VAL 94 N 0.00 1.30 -0.41 1.61 1.01 -1.22 -3.13 120.40 119.56 1voq s VAL 94 Ca 0.00 -2.10 0.11 0.00 0.00 0.00 0.00 61.98 59.99 1voq s VAL 94 Cb 0.00 -1.90 0.39 0.00 0.00 0.00 0.00 36.38 34.87 1voq s VAL 94 CO 0.00 -0.70 0.90 1.21 0.00 0.00 0.00 175.10 176.51 1voq n GLU 95 N -0.24 1.92 -1.08 2.72 0.00 -1.26 -4.99 120.64 117.70 1voq n GLU 95 Ca -0.10 -3.85 -0.35 0.00 0.00 0.00 0.00 57.16 52.86 1voq n GLU 95 Cb 0.61 -1.79 0.08 0.00 0.00 0.00 0.00 31.44 30.34 1voq n GLU 95 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1voq n ILE 96 N -0.06 1.02 -3.65 6.31 5.41 -1.26 -4.96 119.36 122.17 1voq n ILE 96 Ca 0.24 -0.33 -0.23 0.00 1.00 0.00 0.00 62.75 63.43 1voq n ILE 96 Cb 0.65 -0.64 -0.18 0.00 -0.71 0.00 0.00 39.64 38.76 1voq n ILE 96 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1voq s GLU 97 N -2.99 0.01 -1.36 0.38 0.41 -1.26 -5.05 118.70 108.84 1voq s GLU 97 Ca 0.61 0.18 -0.13 0.00 -0.41 0.00 0.00 54.97 55.22 1voq s GLU 97 Cb -0.29 -1.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.95 1voq s GLU 97 CO 0.63 -0.47 2.42 -0.89 -0.49 0.00 0.00 175.26 176.46 1voq n ILE 98 N 5.28 3.41 -0.15 -1.63 5.41 -1.26 -4.04 119.36 126.37 1voq n ILE 98 Ca -0.05 -2.50 -0.09 0.00 1.00 0.00 0.00 62.75 61.11 1voq n ILE 98 Cb 0.50 -2.52 0.09 0.00 -0.71 0.00 0.00 39.64 36.99 1voq n ILE 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1voq n LYS 99 N 5.16 -2.71 0.00 0.38 5.02 0.14 -4.81 118.16 121.34 1voq n LYS 99 Ca 0.60 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1voq n LYS 99 Cb 0.31 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 1voq n LYS 99 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51