#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vox s ILE 3 N 0.00 0.39 0.05 4.25 1.09 -1.26 -4.93 121.20 120.79 1vox s ILE 3 Ca 0.00 -1.27 0.00 0.00 -1.10 0.00 0.00 60.65 58.28 1vox s ILE 3 Cb 0.00 -1.31 0.00 0.00 -1.06 0.00 0.00 42.46 40.09 1vox s ILE 3 CO 0.00 -0.77 0.00 0.35 -0.10 0.00 0.00 174.94 174.42 1vox n THR 4 N 4.78 0.00 -1.52 2.92 -2.24 -1.26 -5.01 114.28 111.95 1vox n THR 4 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vox n THR 4 Cb 0.41 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1vox n THR 4 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vox n LYS 5 N -2.64 0.00 0.27 -0.78 -0.00 -1.26 -4.95 118.16 108.80 1vox n LYS 5 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1vox n LYS 5 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 1vox n LYS 5 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1vox h GLU 6 N 0.00 -0.87 -0.25 -1.58 4.39 -1.95 -1.08 114.58 113.25 1vox h GLU 6 Ca 0.00 0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1vox h GLU 6 Cb 0.69 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1vox h GLU 6 CO 0.00 -0.58 0.17 0.93 -1.16 0.00 0.00 179.01 178.37 1vox h GLU 7 N -0.90 0.21 0.00 2.33 4.39 -1.93 -0.93 114.58 117.74 1vox h GLU 7 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1vox h GLU 7 Cb 0.79 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1vox h GLU 7 CO -0.05 0.14 0.00 1.63 -1.16 0.00 0.00 179.01 179.56 1vox n LYS 8 N -4.50 0.19 -0.34 2.33 5.02 -0.49 -3.18 118.16 117.19 1vox n LYS 8 Ca 0.02 0.45 0.03 0.00 -2.02 0.00 0.00 58.31 56.79 1vox n LYS 8 Cb 0.17 -1.88 0.18 0.00 -0.02 0.00 0.00 35.03 33.47 1vox n LYS 8 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1vox h GLN 9 N 0.00 1.00 -0.03 1.97 4.20 -0.34 0.34 115.11 122.25 1vox h GLN 9 Ca 0.00 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1vox h GLN 9 Cb 0.31 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1vox h GLN 9 CO 0.00 0.66 -0.51 1.57 -0.67 0.00 0.00 178.83 179.88 1vox h LYS 10 N 1.03 0.08 -0.70 1.46 2.10 -1.75 -2.66 116.57 116.11 1vox h LYS 10 Ca 0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1vox h LYS 10 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1vox h LYS 10 CO -0.20 0.57 0.00 0.28 -2.00 0.00 0.00 179.45 178.10 1vox n VAL 11 N -3.93 0.03 -0.06 0.07 0.31 0.10 -2.06 118.33 112.80 1vox n VAL 11 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1vox n VAL 11 Cb 0.54 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 33.06 1vox n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1vox n ILE 12 N 0.19 0.67 1.14 2.52 5.41 -1.00 -4.03 119.36 124.25 1vox n ILE 12 Ca 0.00 -0.18 0.12 0.00 1.00 0.00 0.00 62.75 63.69 1vox n ILE 12 Cb 0.18 -1.60 0.20 0.00 -0.71 0.00 0.00 39.64 37.71 1vox n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vox n GLN 13 N -3.48 1.51 0.00 0.38 6.02 -1.18 -4.52 117.38 116.10 1vox n GLN 13 Ca -0.24 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1vox n GLN 13 Cb 0.67 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1vox n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1vox n GLU 14 N 0.24 0.00 -2.95 -1.09 4.07 -0.87 -4.93 120.64 115.10 1vox n GLU 14 Ca 0.13 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.79 1vox n GLU 14 Cb 0.46 -0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1vox n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1vox n PHE 15 N -1.13 3.65 -3.87 4.31 3.01 -1.25 -4.95 117.46 117.23 1vox n PHE 15 Ca 0.00 -3.11 -0.09 0.00 1.01 0.00 0.00 57.45 55.25 1vox n PHE 15 Cb 0.00 -1.67 0.00 0.00 -0.01 0.00 0.00 39.48 37.81 1vox n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vox s ALA 16 N -1.07 -0.56 0.00 4.37 0.00 -1.26 -3.89 121.76 119.36 1vox s ALA 16 Ca 0.35 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1vox s ALA 16 Cb 0.01 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1vox s ALA 16 CO 0.02 -0.96 0.00 0.54 0.00 0.00 0.00 175.76 175.36 1vox n ARG 17 N -0.52 0.08 -1.16 0.00 5.12 -1.26 -4.98 116.66 113.94 1vox n ARG 17 Ca -0.06 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.54 1vox n ARG 17 Cb 0.60 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 32.01 1vox n ARG 17 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1vox s PHE 18 N 1.28 2.14 -0.87 -1.55 0.40 -1.26 -4.75 117.98 113.38 1vox s PHE 18 Ca 0.00 1.65 -0.27 0.00 -0.60 0.00 0.00 56.93 57.71 1vox s PHE 18 Cb 0.00 -3.25 -0.20 0.00 0.51 0.00 0.00 43.02 40.08 1vox s PHE 18 CO 0.00 -2.30 2.56 -2.30 0.70 0.00 0.00 175.22 173.88 1vox n PRO 19 N -3.46 0.26 0.00 0.24 -0.02 -1.26 -1.31 135.00 129.45 1vox n PRO 19 Ca 0.11 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1vox n PRO 19 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1vox n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vox n GLY 20 N 6.29 1.85 3.55 -1.23 0.00 -1.26 -5.05 105.19 109.33 1vox n GLY 20 Ca 0.59 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 1vox n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vox n ASP 21 N 0.00 2.44 -1.03 1.61 4.64 -0.43 -4.79 116.55 119.00 1vox n ASP 21 Ca 0.00 -0.08 0.12 0.00 -1.38 0.00 0.00 54.79 53.45 1vox n ASP 21 Cb 0.00 -1.48 0.15 0.00 -1.04 0.00 0.00 41.12 38.75 1vox n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1vox n THR 22 N 7.77 0.19 -2.58 5.18 -2.24 -1.26 -4.73 114.28 116.60 1vox n THR 22 Ca 0.38 -0.59 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1vox n THR 22 Cb 0.43 1.29 0.03 0.00 -2.10 0.00 0.00 70.33 69.97 1vox n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vox n GLY 23 N 1.41 -0.22 4.02 3.38 0.00 -1.26 -5.07 105.19 107.46 1vox n GLY 23 Ca 0.16 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1vox n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vox s SER 24 N -0.33 5.21 0.29 1.61 0.01 -1.26 -4.89 113.70 114.34 1vox s SER 24 Ca 0.04 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 1vox s SER 24 Cb 0.12 0.08 0.43 0.00 0.21 0.00 0.00 66.02 66.87 1vox s SER 24 CO -0.03 -1.20 1.96 0.74 0.41 0.00 0.00 173.24 175.12 1vox h THR 25 N 0.31 1.22 -0.20 1.44 2.02 -1.97 0.17 112.91 115.90 1vox h THR 25 Ca -0.32 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.50 1vox h THR 25 Cb 1.29 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1vox h THR 25 CO 0.42 0.21 0.21 -0.33 0.37 0.00 0.00 175.52 176.41 1vox h GLU 26 N 1.11 0.00 -0.58 6.66 3.07 -1.94 -2.07 114.58 120.83 1vox h GLU 26 Ca 0.30 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.78 1vox h GLU 26 Cb -0.10 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.39 1vox h GLU 26 CO -0.06 0.00 -0.99 0.28 -1.40 0.00 0.00 179.01 176.84 1vox n VAL 27 N -3.81 1.81 0.00 3.13 0.31 -0.04 -4.58 118.33 115.15 1vox n VAL 27 Ca 0.02 -3.49 0.00 0.00 -0.01 0.00 0.00 64.34 60.86 1vox n VAL 27 Cb 0.34 0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1vox n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vox n GLN 28 N -0.64 0.00 0.32 5.55 6.02 0.41 -4.45 117.38 124.59 1vox n GLN 28 Ca 0.23 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.42 1vox n GLN 28 Cb 0.87 0.00 1.08 0.00 1.02 0.00 0.00 30.24 33.21 1vox n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1vox h VAL 29 N 0.00 0.20 -0.23 5.09 2.07 -1.84 -2.46 116.25 119.08 1vox h VAL 29 Ca 0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1vox h VAL 29 Cb 0.00 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1vox h VAL 29 CO 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 1vox h ALA 30 N 1.99 0.13 -0.86 1.67 0.00 -1.86 -0.86 119.26 119.47 1vox h ALA 30 Ca -0.00 0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.22 1vox h ALA 30 Cb 0.04 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1vox h ALA 30 CO 0.00 -0.49 0.59 -0.07 0.00 0.00 0.00 179.25 179.29 1vox h LEU 31 N -0.02 0.22 0.60 0.00 4.07 -1.74 0.71 115.31 119.14 1vox h LEU 31 Ca 0.12 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1vox h LEU 31 Cb 0.20 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.93 1vox h LEU 31 CO -0.25 0.09 -0.29 -0.07 -1.08 0.00 0.00 178.44 176.83 1vox h LEU 32 N 0.22 -0.69 -0.89 1.67 3.38 -1.29 0.92 115.31 118.63 1vox h LEU 32 Ca 0.43 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1vox h LEU 32 Cb 1.36 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 1vox h LEU 32 CO -0.10 -0.38 0.59 0.74 0.09 0.00 0.00 178.44 179.38 1vox h THR 33 N -1.04 1.22 -0.23 0.22 2.02 -1.15 0.06 112.91 114.01 1vox h THR 33 Ca -0.08 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1vox h THR 33 Cb 0.62 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1vox h THR 33 CO 0.14 0.22 0.16 0.25 0.37 0.00 0.00 175.52 176.65 1vox h LEU 34 N 1.20 0.15 -0.49 2.58 6.46 0.42 0.36 115.31 125.99 1vox h LEU 34 Ca 0.33 -0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.96 1vox h LEU 34 Cb -0.12 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 1vox h LEU 34 CO -0.08 0.10 -0.59 -0.09 -0.62 0.00 0.00 178.44 177.17 1vox h ARG 35 N 0.17 0.00 -0.86 1.25 1.12 0.12 -3.17 114.38 113.01 1vox h ARG 35 Ca 0.10 0.00 0.24 0.00 -1.11 0.00 0.00 59.98 59.21 1vox h ARG 35 Cb 0.19 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.11 1vox h ARG 35 CO -0.02 0.59 0.61 0.82 -3.11 0.00 0.00 179.97 178.86 1vox h ILE 36 N 0.00 0.59 -0.86 1.20 2.04 -0.16 0.34 117.51 120.66 1vox h ILE 36 Ca -0.01 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1vox h ILE 36 Cb 1.24 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1vox h ILE 36 CO 0.08 0.01 0.48 0.78 0.00 0.00 0.00 178.15 179.50 1vox h ASN 37 N 0.07 0.64 -0.04 1.72 -0.26 -1.62 -1.03 115.58 115.06 1vox h ASN 37 Ca 0.42 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 1vox h ASN 37 Cb 1.55 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.76 1vox h ASN 37 CO -0.04 0.32 0.00 -2.11 -1.06 0.00 0.00 177.43 174.54 1vox n ARG 38 N -4.79 0.97 -0.05 0.81 0.00 -0.22 -4.44 116.66 108.95 1vox n ARG 38 Ca 0.16 -1.35 -0.17 0.00 -0.00 0.00 0.00 57.85 56.50 1vox n ARG 38 Cb 0.37 -1.26 -0.13 0.00 -0.00 0.00 0.00 32.46 31.44 1vox n ARG 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1vox h LEU 39 N 2.62 0.11 0.00 2.89 6.46 0.56 -3.21 115.31 124.74 1vox h LEU 39 Ca 0.00 -0.91 0.00 0.00 -0.12 0.00 0.00 57.88 56.85 1vox h LEU 39 Cb 0.57 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1vox h LEU 39 CO 0.00 1.18 0.00 -1.20 -0.62 0.00 0.00 178.44 177.80 1vox n SER 40 N -4.45 0.00 0.26 1.25 7.64 -0.48 -1.04 113.62 116.80 1vox n SER 40 Ca -0.15 0.47 0.17 0.00 1.01 0.00 0.00 58.87 60.38 1vox n SER 40 Cb 0.60 -0.48 0.73 0.00 -1.01 0.00 0.00 64.21 64.05 1vox n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1vox h GLU 41 N 0.00 0.00 0.00 1.43 4.81 -1.77 -1.30 114.58 117.75 1vox h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vox h GLU 41 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1vox h GLU 41 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 179.01 179.86 1vox n HIS 42 N -2.95 0.00 0.76 0.92 -0.00 -0.21 -3.33 115.22 110.42 1vox n HIS 42 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.27 1vox n HIS 42 Cb 0.26 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.12 1vox n HIS 42 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1vox n LEU 43 N -0.52 1.71 0.05 0.27 4.77 -0.49 -4.05 117.00 118.73 1vox n LEU 43 Ca 0.01 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 55.10 1vox n LEU 43 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1vox n LEU 43 CO 0.01 0.32 0.86 0.50 -1.33 0.00 0.00 177.39 177.75 1vox h LYS 44 N 1.92 -0.04 0.00 3.23 3.64 -1.75 -3.44 116.57 120.14 1vox h LYS 44 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vox h LYS 44 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1vox h LYS 44 CO 0.00 -0.02 0.00 0.28 -2.27 0.00 0.00 179.45 177.44 1vox n VAL 45 N -5.11 0.00 -0.86 2.00 0.31 -1.26 -4.87 118.33 108.53 1vox n VAL 45 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1vox n VAL 45 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1vox n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1vox n HIS 46 N 0.00 0.00 0.08 3.52 8.25 -1.26 -4.73 115.22 121.08 1vox n HIS 46 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1vox n HIS 46 Cb 0.00 -1.82 0.19 0.00 1.12 0.00 0.00 29.99 29.48 1vox n HIS 46 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1vox n LYS 47 N 0.61 0.04 0.00 -0.41 4.81 -1.26 -0.21 118.16 121.75 1vox n LYS 47 Ca 0.00 0.52 0.10 0.00 -0.87 0.00 0.00 58.31 58.06 1vox n LYS 47 Cb 0.41 -1.64 0.03 0.00 0.02 0.00 0.00 35.03 33.85 1vox n LYS 47 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1vox n LYS 48 N -1.73 1.61 -1.16 1.64 5.02 -1.26 -4.77 118.16 117.51 1vox n LYS 48 Ca -0.00 -1.22 -0.40 0.00 -2.02 0.00 0.00 58.31 54.66 1vox n LYS 48 Cb 0.02 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1vox n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vox n ASP 49 N 0.41 3.04 0.27 4.39 4.64 0.71 -4.65 116.55 125.36 1vox n ASP 49 Ca 0.09 -2.65 0.17 0.00 -1.38 0.00 0.00 54.79 51.02 1vox n ASP 49 Cb 0.44 -1.18 0.93 0.00 -1.04 0.00 0.00 41.12 40.27 1vox n ASP 49 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 1vox h HIS 50 N 7.45 0.00 0.00 -0.67 3.86 -1.86 -1.88 115.15 122.05 1vox h HIS 50 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1vox h HIS 50 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1vox h HIS 50 CO 1.37 0.00 0.00 0.72 0.86 0.00 0.00 177.93 180.88 1vox n HIS 51 N -3.69 0.00 0.00 2.45 8.25 -1.26 -3.03 115.22 117.94 1vox n HIS 51 Ca -0.01 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1vox n HIS 51 Cb 0.18 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1vox n HIS 51 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1vox n SER 52 N 0.27 0.00 -0.19 0.41 7.64 -0.74 -4.84 113.62 116.18 1vox n SER 52 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1vox n SER 52 Cb 0.23 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1vox n SER 52 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1vox h HIS 53 N 0.00 1.14 -0.00 1.43 2.76 -1.39 -1.69 115.15 117.40 1vox h HIS 53 Ca 0.00 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 1vox h HIS 53 Cb 0.00 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.67 1vox h HIS 53 CO 0.00 1.04 -0.07 -2.13 -1.30 0.00 0.00 177.93 175.47 1vox n ARG 54 N -4.15 0.11 0.00 5.26 0.63 -1.23 -3.01 116.66 114.27 1vox n ARG 54 Ca 0.02 -0.02 0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1vox n ARG 54 Cb 0.38 -1.50 0.22 0.00 0.45 0.00 0.00 32.46 32.01 1vox n ARG 54 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vox n GLY 55 N 1.45 -0.58 0.00 5.14 0.00 -0.63 -0.50 105.19 110.07 1vox n GLY 55 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1vox n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vox n LEU 56 N -1.30 0.20 0.18 0.99 7.94 -1.16 -4.40 117.00 119.45 1vox n LEU 56 Ca 0.04 -0.16 0.12 0.00 -1.11 0.00 0.00 56.01 54.90 1vox n LEU 56 Cb 0.07 0.00 0.65 0.00 0.53 0.00 0.00 43.42 44.67 1vox n LEU 56 CO 0.07 0.05 0.87 0.25 -1.11 0.00 0.00 177.39 177.52 1vox h LEU 57 N 0.00 0.00 -1.36 -1.96 5.85 -0.94 0.60 115.31 117.50 1vox h LEU 57 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1vox h LEU 57 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1vox h LEU 57 CO 0.00 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.33 1vox n MET 58 N -2.36 1.87 0.00 1.25 2.81 -1.25 -3.51 117.12 115.93 1vox n MET 58 Ca -0.01 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.54 1vox n MET 58 Cb 0.05 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1vox n MET 58 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1vox n MET 59 N 0.57 -0.36 0.26 0.03 2.81 0.19 -4.68 117.12 115.94 1vox n MET 59 Ca 0.14 -0.38 0.09 0.00 -1.81 0.00 0.00 57.70 55.74 1vox n MET 59 Cb 0.34 -0.80 0.66 0.00 -0.71 0.00 0.00 33.22 32.70 1vox n MET 59 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1vox h VAL 60 N 0.47 0.90 0.00 2.03 2.07 -1.57 -1.32 116.25 118.83 1vox h VAL 60 Ca 0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1vox h VAL 60 Cb 0.25 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1vox h VAL 60 CO 0.00 0.08 -0.17 1.23 0.02 0.00 0.00 177.57 178.72 1vox h GLY 61 N 0.30 0.00 0.18 2.17 0.00 -1.83 -3.37 103.07 100.52 1vox h GLY 61 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 1vox h GLY 61 CO 0.01 0.00 0.61 -1.61 0.00 0.00 0.00 176.54 175.55 1vox h GLN 62 N -1.00 0.66 -0.96 4.80 5.75 -1.83 0.73 115.11 123.25 1vox h GLN 62 Ca -0.01 -0.04 0.23 0.00 -0.15 0.00 0.00 58.65 58.68 1vox h GLN 62 Cb 0.27 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.60 1vox h GLN 62 CO -0.01 0.43 0.63 -0.09 -2.65 0.00 0.00 178.83 177.15 1vox h ARG 63 N 0.67 0.38 -0.06 1.69 9.65 -1.40 -2.25 114.38 123.06 1vox h ARG 63 Ca 0.55 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 59.27 1vox h ARG 63 Cb 0.97 -0.08 -0.26 0.00 -1.39 0.00 0.00 29.97 29.20 1vox h ARG 63 CO -0.32 0.25 -0.86 2.89 2.80 0.00 0.00 179.97 184.73 1vox n ARG 64 N -4.53 0.77 -0.06 0.20 1.85 0.22 -4.83 116.66 110.28 1vox n ARG 64 Ca 0.21 -2.61 -0.21 0.00 -1.00 0.00 0.00 57.85 54.24 1vox n ARG 64 Cb 0.78 -0.72 -0.12 0.00 -1.05 0.00 0.00 32.46 31.34 1vox n ARG 64 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1vox h ARG 65 N 1.15 0.08 -5.63 2.89 9.65 0.97 -3.41 114.38 120.09 1vox h ARG 65 Ca -0.13 -0.14 -0.44 0.00 -1.10 0.00 0.00 59.98 58.18 1vox h ARG 65 Cb 1.55 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 30.13 1vox h ARG 65 CO 0.10 1.07 1.38 -0.51 2.80 0.00 0.00 179.97 184.80 1vox s LEU 66 N -7.72 3.30 0.10 3.80 1.43 -1.26 -4.28 118.68 114.05 1vox s LEU 66 Ca -0.25 -1.79 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 1vox s LEU 66 Cb 0.05 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1vox s LEU 66 CO 0.66 -2.45 0.00 0.18 0.23 0.00 0.00 176.35 174.96 1vox n LEU 67 N 12.45 0.38 -3.58 1.79 4.77 -1.26 -4.78 117.00 126.77 1vox n LEU 67 Ca 0.45 0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 1vox n LEU 67 Cb 0.47 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1vox n LEU 67 CO 0.69 -0.66 2.52 0.54 -1.33 0.00 0.00 177.39 179.16 1vox n ARG 68 N -3.09 2.37 0.00 3.23 1.74 -1.26 -2.39 116.66 117.26 1vox n ARG 68 Ca 0.00 -2.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.94 1vox n ARG 68 Cb 0.00 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.44 1vox n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1vox n TYR 69 N 6.09 0.00 -0.03 -1.55 9.36 -1.26 -4.91 117.16 124.85 1vox n TYR 69 Ca 0.53 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.72 1vox n TYR 69 Cb 0.35 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.01 1vox n TYR 69 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1vox n LEU 70 N -0.07 0.78 0.01 2.98 7.99 -1.01 -4.37 117.00 123.32 1vox n LEU 70 Ca 0.00 -0.01 -0.07 0.00 -0.01 0.00 0.00 56.01 55.92 1vox n LEU 70 Cb 0.00 0.04 -0.13 0.00 -0.11 0.00 0.00 43.42 43.22 1vox n LEU 70 CO 0.00 0.27 -0.30 0.06 -1.51 0.00 0.00 177.39 175.92 1vox h GLN 71 N 0.00 0.00 -0.85 3.23 3.07 -1.75 -3.05 115.11 115.76 1vox h GLN 71 Ca -0.16 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.50 1vox h GLN 71 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.86 1vox h GLN 71 CO -0.00 0.63 0.10 0.54 0.09 0.00 0.00 178.83 180.18 1vox n ARG 72 N -3.13 2.56 0.00 0.06 1.74 -1.26 -4.81 116.66 111.82 1vox n ARG 72 Ca -0.11 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 1vox n ARG 72 Cb 1.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1vox n ARG 72 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1vox n GLU 73 N 0.13 0.00 -3.05 5.56 0.00 -1.25 -4.86 120.64 117.17 1vox n GLU 73 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.91 1vox n GLU 73 Cb 0.83 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 32.21 1vox n GLU 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1vox s ASP 74 N 2.00 6.35 0.24 4.31 -1.08 -1.22 -4.91 116.67 122.35 1vox s ASP 74 Ca 0.00 -0.30 0.18 0.00 -0.52 0.00 0.00 52.55 51.92 1vox s ASP 74 Cb 0.00 -2.34 0.92 0.00 -1.46 0.00 0.00 42.92 40.03 1vox s ASP 74 CO 0.00 -0.85 1.57 -0.81 0.52 0.00 0.00 175.17 175.59 1vox n PRO 75 N 6.46 0.12 0.40 4.34 -0.04 -1.15 -3.23 135.00 141.90 1vox n PRO 75 Ca -0.00 0.54 -0.16 0.00 -0.04 0.00 0.00 63.50 63.84 1vox n PRO 75 Cb 0.48 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 1vox n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1vox h GLU 76 N 0.00 -0.98 0.00 0.54 4.57 -1.91 0.18 114.58 116.98 1vox h GLU 76 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1vox h GLU 76 Cb 0.11 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1vox h GLU 76 CO 0.00 -0.65 0.00 0.54 -1.18 0.00 0.00 179.01 177.72 1vox n ARG 77 N -4.91 0.54 0.00 1.92 1.74 -1.20 -1.37 116.66 113.38 1vox n ARG 77 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1vox n ARG 77 Cb 0.40 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1vox n ARG 77 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1vox n TYR 78 N -0.95 0.00 -0.29 -1.55 9.36 -0.77 -4.47 117.16 118.49 1vox n TYR 78 Ca 0.12 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.21 1vox n TYR 78 Cb 0.05 -0.12 0.07 0.00 -0.63 0.00 0.00 39.34 38.71 1vox n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1vox n ARG 79 N -1.69 1.65 -0.27 2.98 1.74 0.57 -4.50 116.66 117.14 1vox n ARG 79 Ca 0.00 -1.46 0.05 0.00 -0.77 0.00 0.00 57.85 55.67 1vox n ARG 79 Cb 0.00 -1.57 0.19 0.00 -1.02 0.00 0.00 32.46 30.06 1vox n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vox h ALA 80 N 1.51 1.14 0.00 7.54 0.00 -1.38 -3.33 119.26 124.73 1vox h ALA 80 Ca 0.30 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1vox h ALA 80 Cb 1.62 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1vox h ALA 80 CO 0.59 -0.13 -0.33 1.28 0.00 0.00 0.00 179.25 180.66 1vox n LEU 81 N -4.92 -0.12 -0.28 0.00 4.77 -1.26 -4.93 117.00 110.25 1vox n LEU 81 Ca 0.15 -1.41 -0.04 0.00 -0.03 0.00 0.00 56.01 54.67 1vox n LEU 81 Cb 0.40 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1vox n LEU 81 CO 0.21 0.90 1.19 0.40 -1.33 0.00 0.00 177.39 178.76 1vox h ILE 82 N 5.71 1.21 0.00 -0.08 2.04 -1.80 -0.91 117.51 123.68 1vox h ILE 82 Ca -0.18 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1vox h ILE 82 Cb 1.32 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1vox h ILE 82 CO -0.06 0.20 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 1vox n GLU 83 N -4.53 0.41 0.00 2.37 1.02 -1.26 -0.27 120.64 118.38 1vox n GLU 83 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1vox n GLU 83 Cb 0.02 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1vox n GLU 83 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1vox n LYS 84 N -0.15 1.06 0.00 3.49 4.81 -0.35 -4.77 118.16 122.26 1vox n LYS 84 Ca 0.00 -0.90 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 1vox n LYS 84 Cb 0.04 -0.87 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1vox n LYS 84 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1vox n LEU 85 N -0.23 0.00 -1.01 3.14 4.77 -0.28 -5.14 117.00 118.25 1vox n LEU 85 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1vox n LEU 85 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1vox n LEU 85 CO 0.00 0.00 -0.23 0.61 -1.33 0.00 0.00 177.39 176.44 1vox n GLY 86 N 0.00 -1.94 2.96 -0.72 0.00 0.63 -4.94 105.19 101.18 1vox n GLY 86 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 1vox n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vox s ILE 87 N -2.19 0.52 -0.12 -0.61 1.01 -1.26 -4.97 121.20 113.58 1vox s ILE 87 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 1vox s ILE 87 Cb 0.00 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 42.04 1vox s ILE 87 CO 0.00 0.16 0.17 0.54 0.00 0.00 0.00 174.94 175.82 1vox n ARG 88 N 3.16 -4.85 0.00 2.79 5.12 -1.26 -5.26 116.66 116.36 1vox n ARG 88 Ca -0.16 3.59 0.12 0.00 -1.93 0.00 0.00 57.85 59.47 1vox n ARG 88 Cb 0.56 -4.98 0.10 0.00 -1.16 0.00 0.00 32.46 26.98 1vox n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11