#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 n ILE 2 N 0.00 0.00 -3.50 0.52 -0.00 -1.26 -4.91 119.36 110.21 1ab3 n ILE 2 Ca 0.00 1.37 -0.02 0.00 -0.00 0.00 0.00 62.75 64.10 1ab3 n ILE 2 Cb 0.00 -2.06 -0.00 0.00 -0.00 0.00 0.00 39.64 37.58 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ab3 n THR 3 N -2.14 0.00 0.00 1.39 5.66 -1.26 -4.96 114.28 112.96 1ab3 n THR 3 Ca 0.00 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ab3 n THR 3 Cb 0.00 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1ab3 n THR 3 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ab3 n LYS 4 N -0.07 0.00 -0.35 1.09 2.85 -1.26 -2.13 118.16 118.29 1ab3 n LYS 4 Ca -0.00 0.12 0.03 0.00 -1.05 0.00 0.00 58.31 57.41 1ab3 n LYS 4 Cb 0.07 -0.63 0.17 0.00 -0.65 0.00 0.00 35.03 34.00 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ab3 n GLU 5 N -0.24 2.53 -0.08 -1.58 1.02 -1.26 -3.76 120.64 117.28 1ab3 n GLU 5 Ca 0.00 -1.35 0.10 0.00 -0.02 0.00 0.00 57.16 55.89 1ab3 n GLU 5 Cb 0.00 -1.72 0.38 0.00 -0.02 0.00 0.00 31.44 30.08 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ab3 n GLU 6 N 0.31 1.67 0.00 3.49 -0.58 -0.91 -3.99 120.64 120.63 1ab3 n GLU 6 Ca 0.12 -1.00 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 1ab3 n GLU 6 Cb 0.59 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ab3 n LYS 7 N 0.23 0.76 0.13 3.49 -0.00 -1.21 -4.28 118.16 117.28 1ab3 n LYS 7 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.53 1ab3 n LYS 7 Cb 0.30 -0.64 0.54 0.00 -0.00 0.00 0.00 35.03 35.23 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ab3 h GLN 8 N 0.00 0.26 0.00 -1.58 1.08 -1.71 -0.04 115.11 113.12 1ab3 h GLN 8 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ab3 h GLN 8 Cb 0.28 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1ab3 h GLN 8 CO 0.00 0.17 0.00 0.87 -0.95 0.00 0.00 178.83 178.92 1ab3 h LYS 9 N 0.26 0.00 0.21 1.46 1.57 -1.87 -2.75 116.57 115.45 1ab3 h LYS 9 Ca 0.08 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 1ab3 h LYS 9 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.32 1ab3 h LYS 9 CO -0.02 0.00 -1.62 0.28 -0.57 0.00 0.00 179.45 177.53 1ab3 h VAL 10 N 0.00 1.11 0.01 0.50 2.07 -1.31 -3.35 116.25 115.29 1ab3 h VAL 10 Ca 0.00 -2.63 -0.08 0.00 0.82 0.00 0.00 66.70 64.81 1ab3 h VAL 10 Cb 0.87 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1ab3 h VAL 10 CO 0.00 0.84 -0.31 0.16 0.02 0.00 0.00 177.57 178.28 1ab3 h ILE 11 N 0.12 1.56 -1.59 4.57 -2.65 -1.48 -1.36 117.51 116.68 1ab3 h ILE 11 Ca -0.30 -2.06 0.51 0.00 1.03 0.00 0.00 64.86 64.04 1ab3 h ILE 11 Cb 2.12 2.86 -0.11 0.00 -2.05 0.00 0.00 36.82 39.64 1ab3 h ILE 11 CO 0.22 0.56 1.08 0.00 0.03 0.00 0.00 178.15 180.04 1ab3 n GLN 12 N -4.46 -0.02 -0.01 0.16 10.64 -1.04 0.28 117.38 122.93 1ab3 n GLN 12 Ca -0.10 1.16 -0.18 0.00 -1.83 0.00 0.00 57.00 56.05 1ab3 n GLN 12 Cb 0.55 -2.44 -0.14 0.00 -0.86 0.00 0.00 30.24 27.35 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ab3 n GLU 13 N -4.36 0.72 -0.02 2.61 2.13 -1.20 -4.65 120.64 115.87 1ab3 n GLU 13 Ca 0.41 0.26 -0.01 0.00 0.66 0.00 0.00 57.16 58.48 1ab3 n GLU 13 Cb 1.72 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ab3 n GLU 13 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1ab3 n PHE 14 N -3.35 0.23 -1.94 4.31 3.01 0.73 -4.84 117.46 115.62 1ab3 n PHE 14 Ca -0.30 0.10 -0.42 0.00 1.01 0.00 0.00 57.45 57.84 1ab3 n PHE 14 Cb 1.05 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 1ab3 n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ab3 s ALA 15 N -2.93 3.63 -0.31 4.37 0.00 0.80 -4.85 121.76 122.46 1ab3 s ALA 15 Ca -0.04 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1ab3 s ALA 15 Cb 0.00 -3.75 0.45 0.00 0.00 0.00 0.00 23.12 19.82 1ab3 s ALA 15 CO 0.05 -1.35 1.65 2.89 0.00 0.00 0.00 175.76 179.00 1ab3 n ARG 16 N 6.81 1.87 -3.72 0.00 0.00 -1.26 -4.07 116.66 116.28 1ab3 n ARG 16 Ca 0.17 -2.05 -0.03 0.00 -0.00 0.00 0.00 57.85 55.94 1ab3 n ARG 16 Cb 0.42 -1.81 -0.01 0.00 -0.00 0.00 0.00 32.46 31.06 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ab3 s PHE 17 N -2.26 -0.14 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.36 1ab3 s PHE 17 Ca 0.39 -0.14 0.20 0.00 0.12 0.00 0.00 56.93 57.50 1ab3 s PHE 17 Cb 0.33 0.62 1.16 0.00 -0.57 0.00 0.00 43.02 44.56 1ab3 s PHE 17 CO 0.07 -0.75 1.59 -0.35 -0.10 0.00 0.00 175.22 175.68 1ab3 n PRO 18 N -0.45 0.73 0.00 0.24 -0.04 -1.26 -2.60 135.00 131.62 1ab3 n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ab3 n PRO 18 Cb 0.61 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1ab3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab3 n GLY 19 N 0.42 0.05 1.15 0.55 0.00 -1.26 -4.74 105.19 101.37 1ab3 n GLY 19 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ab3 n ASP 20 N -0.02 3.25 0.08 1.61 -0.08 -1.07 -3.64 116.55 116.67 1ab3 n ASP 20 Ca 0.00 -2.41 0.06 0.00 -1.51 0.00 0.00 54.79 50.93 1ab3 n ASP 20 Cb 0.21 -0.55 -0.03 0.00 2.34 0.00 0.00 41.12 43.08 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ab3 h THR 21 N 2.08 0.24 -0.02 5.18 1.35 -1.85 -3.31 112.91 116.57 1ab3 h THR 21 Ca 0.00 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1ab3 h THR 21 Cb 1.16 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1ab3 h THR 21 CO 0.22 0.14 -0.15 0.61 -0.25 0.00 0.00 175.52 176.09 1ab3 n GLY 22 N 1.28 0.48 0.81 5.82 0.00 -1.24 -4.56 105.19 107.78 1ab3 n GLY 22 Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 1ab3 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ab3 n SER 23 N 0.76 -1.86 -0.01 1.61 7.64 -1.24 -4.83 113.62 115.68 1ab3 n SER 23 Ca 0.11 -0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 1ab3 n SER 23 Cb 0.50 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 1ab3 n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ab3 n THR 24 N -3.23 1.69 0.35 0.44 -1.04 -1.26 -3.65 114.28 107.57 1ab3 n THR 24 Ca 0.02 -0.74 -0.15 0.00 -2.04 0.00 0.00 64.05 61.15 1ab3 n THR 24 Cb 0.10 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.20 1ab3 n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ab3 h GLU 25 N 0.03 -0.89 -1.01 -2.82 3.07 -1.93 -1.56 114.58 109.48 1ab3 h GLU 25 Ca -0.35 0.06 0.27 0.00 -0.50 0.00 0.00 59.36 58.84 1ab3 h GLU 25 Cb 2.02 0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 30.07 1ab3 h GLU 25 CO 0.08 -0.58 0.69 0.28 -1.40 0.00 0.00 179.01 178.09 1ab3 h VAL 26 N -1.22 0.54 -0.13 3.13 2.07 -1.81 0.14 116.25 118.97 1ab3 h VAL 26 Ca -0.09 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1ab3 h VAL 26 Cb 0.72 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1ab3 h VAL 26 CO 0.15 0.04 -0.10 1.56 0.02 0.00 0.00 177.57 179.25 1ab3 h GLN 27 N 0.23 0.29 -1.16 1.57 4.20 -1.58 -2.35 115.11 116.32 1ab3 h GLN 27 Ca 0.53 -0.14 0.33 0.00 0.06 0.00 0.00 58.65 59.42 1ab3 h GLN 27 Cb 1.64 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.35 1ab3 h GLN 27 CO -0.15 0.67 0.80 0.28 -0.67 0.00 0.00 178.83 179.75 1ab3 h VAL 28 N -0.07 0.42 -0.21 -0.54 2.07 0.32 1.07 116.25 119.30 1ab3 h VAL 28 Ca 0.02 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1ab3 h VAL 28 Cb 0.60 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ab3 h VAL 28 CO 0.03 0.03 -0.12 0.00 0.02 0.00 0.00 177.57 177.52 1ab3 h ALA 29 N 1.49 0.30 0.00 1.67 0.00 -1.08 -1.74 119.26 119.90 1ab3 h ALA 29 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ab3 h ALA 29 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ab3 h ALA 29 CO -0.13 0.16 0.00 1.47 0.00 0.00 0.00 179.25 180.74 1ab3 n LEU 30 N -4.52 0.46 0.12 0.00 -0.00 0.34 -1.33 117.00 112.07 1ab3 n LEU 30 Ca -0.05 0.65 -0.02 0.00 -0.00 0.00 0.00 56.01 56.59 1ab3 n LEU 30 Cb 0.34 -0.62 0.20 0.00 -0.00 0.00 0.00 43.42 43.34 1ab3 n LEU 30 CO 0.40 -0.61 0.56 0.17 -0.00 0.00 0.00 177.39 177.91 1ab3 h LEU 31 N 0.00 0.12 -0.11 1.47 8.10 0.30 -2.92 115.31 122.27 1ab3 h LEU 31 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.83 1ab3 h LEU 31 Cb 0.21 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1ab3 h LEU 31 CO 0.00 0.63 -0.33 0.00 -4.11 0.00 0.00 178.44 174.62 1ab3 h THR 32 N 0.09 1.39 0.41 0.15 1.03 -1.17 -3.01 112.91 111.80 1ab3 h THR 32 Ca -0.00 -1.66 -0.01 0.00 -0.01 0.00 0.00 66.41 64.73 1ab3 h THR 32 Cb 0.96 2.16 -0.03 0.00 -1.07 0.00 0.00 68.15 70.17 1ab3 h THR 32 CO 0.07 0.49 -0.49 -0.07 -0.01 0.00 0.00 175.52 175.51 1ab3 h LEU 33 N -0.02 -1.37 -1.92 0.00 4.07 -1.54 0.10 115.31 114.64 1ab3 h LEU 33 Ca -0.01 0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.07 1ab3 h LEU 33 Cb 0.95 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 43.15 1ab3 h LEU 33 CO 0.07 -0.62 0.37 -0.09 -1.08 0.00 0.00 178.44 177.09 1ab3 h ARG 34 N -0.92 0.00 0.06 1.13 9.65 -1.61 -0.35 114.38 122.35 1ab3 h ARG 34 Ca -0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1ab3 h ARG 34 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1ab3 h ARG 34 CO -0.10 0.00 -0.03 0.82 2.80 0.00 0.00 179.97 183.46 1ab3 h ILE 35 N 0.00 1.22 -0.65 1.20 5.03 -0.68 -2.73 117.51 120.91 1ab3 h ILE 35 Ca 0.01 -1.50 -0.02 0.00 -0.12 0.00 0.00 64.86 63.24 1ab3 h ILE 35 Cb 0.75 2.13 -0.03 0.00 -3.03 0.00 0.00 36.82 36.64 1ab3 h ILE 35 CO -0.00 0.35 0.32 0.78 -0.68 0.00 0.00 178.15 178.92 1ab3 h ASN 36 N -0.82 0.82 -0.16 1.72 2.35 -0.20 -0.86 115.58 118.43 1ab3 h ASN 36 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ab3 h ASN 36 Cb 0.63 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1ab3 h ASN 36 CO 0.01 0.68 0.00 -1.14 -1.65 0.00 0.00 177.43 175.34 1ab3 n ARG 37 N -4.35 1.36 -0.03 0.81 0.00 -0.72 -3.52 116.66 110.21 1ab3 n ARG 37 Ca 0.06 -0.57 -0.21 0.00 -0.00 0.00 0.00 57.85 57.13 1ab3 n ARG 37 Cb 0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 32.46 31.33 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ab3 n LEU 38 N -0.04 2.57 0.22 6.15 -0.00 -0.33 -4.03 117.00 121.55 1ab3 n LEU 38 Ca 0.05 0.19 0.15 0.00 -0.00 0.00 0.00 56.01 56.41 1ab3 n LEU 38 Cb 0.13 -1.07 0.57 0.00 -0.00 0.00 0.00 43.42 43.06 1ab3 n LEU 38 CO 0.04 0.79 0.93 -1.28 -0.00 0.00 0.00 177.39 177.87 1ab3 h SER 39 N -0.10 0.00 -0.35 1.96 0.87 -1.60 -2.59 113.55 111.75 1ab3 h SER 39 Ca -0.44 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1ab3 h SER 39 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.86 1ab3 h SER 39 CO 0.02 0.00 0.04 -0.62 -0.53 0.00 0.00 176.83 175.73 1ab3 n GLU 40 N -2.81 3.05 0.00 2.24 4.71 -1.25 -4.20 120.64 122.38 1ab3 n GLU 40 Ca 0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 57.16 55.39 1ab3 n GLU 40 Cb 0.31 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.83 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1ab3 n HIS 41 N 0.27 0.00 0.75 -0.32 8.25 -0.98 -4.02 115.22 119.18 1ab3 n HIS 41 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1ab3 n HIS 41 Cb 0.83 -0.26 0.39 0.00 1.12 0.00 0.00 29.99 32.07 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ab3 n LEU 42 N -1.29 0.00 -0.70 2.41 4.32 -1.26 -1.76 117.00 118.71 1ab3 n LEU 42 Ca 0.00 0.24 0.02 0.00 -0.02 0.00 0.00 56.01 56.25 1ab3 n LEU 42 Cb 0.00 -0.24 0.09 0.00 -1.62 0.00 0.00 43.42 41.65 1ab3 n LEU 42 CO 0.00 -0.12 0.43 0.29 -1.22 0.00 0.00 177.39 176.77 1ab3 n LYS 43 N -1.24 1.77 0.00 3.23 4.76 -1.26 -4.03 118.16 121.40 1ab3 n LYS 43 Ca 0.08 -0.68 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 1ab3 n LYS 43 Cb 0.11 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ab3 n VAL 44 N 0.11 0.00 0.00 -0.18 0.31 -1.07 -5.01 118.33 112.49 1ab3 n VAL 44 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1ab3 n VAL 44 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 1ab3 n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ab3 n HIS 45 N -1.48 0.00 -1.10 3.52 8.25 -0.72 -4.77 115.22 118.92 1ab3 n HIS 45 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ab3 n HIS 45 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1ab3 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ab3 n LYS 46 N -0.43 -1.33 0.00 -0.41 4.76 -1.26 -4.68 118.16 114.81 1ab3 n LYS 46 Ca 0.00 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1ab3 n LYS 46 Cb 0.00 -4.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.60 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1ab3 n LYS 47 N -0.73 0.00 0.00 1.97 2.85 -1.26 -5.12 118.16 115.87 1ab3 n LYS 47 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1ab3 n LYS 47 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ab3 n ASP 48 N 0.00 0.00 -1.47 -5.58 -0.08 -1.26 -5.15 116.55 103.01 1ab3 n ASP 48 Ca 0.00 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.47 1ab3 n ASP 48 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ab3 n HIS 49 N 0.00 -3.79 -2.05 -0.67 8.25 -1.26 -4.85 115.22 110.85 1ab3 n HIS 49 Ca 0.00 1.96 -0.00 0.00 -0.26 0.00 0.00 57.72 59.42 1ab3 n HIS 49 Cb 0.00 -3.45 -0.01 0.00 1.12 0.00 0.00 29.99 27.66 1ab3 n HIS 49 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ab3 n HIS 50 N -4.34 0.00 -1.69 4.41 -0.00 -1.26 -4.93 115.22 107.42 1ab3 n HIS 50 Ca -0.03 -0.10 -0.42 0.00 0.46 0.00 0.00 57.72 57.63 1ab3 n HIS 50 Cb 0.68 0.14 -0.00 0.00 -0.12 0.00 0.00 29.99 30.69 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1ab3 n SER 51 N 0.05 2.61 0.00 0.26 3.41 -1.26 -4.61 113.62 114.07 1ab3 n SER 51 Ca -0.03 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1ab3 n SER 51 Cb 0.65 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1ab3 n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ab3 n HIS 52 N 0.21 0.00 0.27 7.33 -0.00 -1.26 -4.91 115.22 116.87 1ab3 n HIS 52 Ca 0.05 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.36 1ab3 n HIS 52 Cb 0.37 0.00 0.77 0.00 -0.12 0.00 0.00 29.99 31.01 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ab3 h ARG 53 N 0.00 0.00 -0.02 1.57 -0.00 -2.05 -1.17 114.38 112.71 1ab3 h ARG 53 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ab3 h ARG 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1ab3 h ARG 53 CO 0.00 0.08 -0.13 0.41 0.00 0.00 0.00 179.97 180.33 1ab3 n GLY 54 N -1.00 0.47 1.64 0.04 0.00 -1.26 -4.34 105.19 100.73 1ab3 n GLY 54 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1ab3 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab3 n LEU 55 N 0.80 5.04 -0.08 0.99 7.99 -0.44 -3.89 117.00 127.41 1ab3 n LEU 55 Ca 0.11 -2.63 -0.12 0.00 -0.01 0.00 0.00 56.01 53.36 1ab3 n LEU 55 Cb 0.49 -0.72 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 1ab3 n LEU 55 CO 0.17 0.83 -1.03 0.18 -1.51 0.00 0.00 177.39 176.02 1ab3 n LEU 56 N -0.22 2.90 -0.29 2.23 4.77 -1.26 -4.50 117.00 120.64 1ab3 n LEU 56 Ca 0.29 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.31 1ab3 n LEU 56 Cb 1.01 -0.56 0.26 0.00 -2.33 0.00 0.00 43.42 41.79 1ab3 n LEU 56 CO 0.31 0.75 0.91 -0.03 -1.33 0.00 0.00 177.39 178.00 1ab3 h MET 57 N -0.03 0.17 -0.67 3.23 4.05 -1.89 0.43 114.93 120.22 1ab3 h MET 57 Ca -0.37 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.10 1ab3 h MET 57 Cb 1.55 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.26 1ab3 h MET 57 CO -0.07 0.11 0.38 0.52 0.23 0.00 0.00 176.91 178.08 1ab3 h MET 58 N 0.18 0.67 -0.11 0.39 2.86 -1.83 0.51 114.93 117.60 1ab3 h MET 58 Ca 0.52 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1ab3 h MET 58 Cb 1.01 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1ab3 h MET 58 CO -0.67 0.44 0.07 0.28 1.06 0.00 0.00 176.91 178.10 1ab3 h VAL 59 N 0.69 1.05 -0.05 -2.22 2.07 -0.40 -1.13 116.25 116.26 1ab3 h VAL 59 Ca 0.30 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ab3 h VAL 59 Cb 0.19 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ab3 h VAL 59 CO -0.18 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.06 1ab3 n GLY 60 N -1.06 -0.70 1.36 2.17 0.00 -0.70 -3.48 105.19 102.78 1ab3 n GLY 60 Ca -0.05 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1ab3 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ab3 n GLN 61 N -0.47 3.26 0.00 1.61 1.13 0.17 -3.69 117.38 119.39 1ab3 n GLN 61 Ca 0.11 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 1ab3 n GLN 61 Cb 0.11 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.51 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ab3 n ARG 62 N 0.33 0.85 0.00 -1.09 0.63 -1.23 -4.17 116.66 111.99 1ab3 n ARG 62 Ca 0.18 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.18 1ab3 n ARG 62 Cb 0.84 -0.95 0.38 0.00 0.45 0.00 0.00 32.46 33.18 1ab3 n ARG 62 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ab3 n ARG 63 N -1.39 0.22 0.00 -0.14 1.74 -1.24 -2.69 116.66 113.16 1ab3 n ARG 63 Ca 0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1ab3 n ARG 63 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1ab3 n ARG 63 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ab3 n ARG 64 N -1.28 0.17 0.33 5.56 1.74 -1.26 -4.80 116.66 117.13 1ab3 n ARG 64 Ca 0.07 -0.48 0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1ab3 n ARG 64 Cb 0.12 -0.54 1.17 0.00 -1.02 0.00 0.00 32.46 32.19 1ab3 n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ab3 h LEU 65 N 0.00 0.00 -1.28 0.55 3.38 -1.67 -0.93 115.31 115.37 1ab3 h LEU 65 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ab3 h LEU 65 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1ab3 h LEU 65 CO 0.00 0.00 0.15 0.17 0.09 0.00 0.00 178.44 178.85 1ab3 h LEU 66 N 0.00 0.59 -1.43 1.67 8.10 -1.87 -1.62 115.31 120.76 1ab3 h LEU 66 Ca -0.00 -0.07 0.05 0.00 0.11 0.00 0.00 57.88 57.97 1ab3 h LEU 66 Cb 0.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1ab3 h LEU 66 CO 0.00 0.56 0.60 -0.09 -4.11 0.00 0.00 178.44 175.40 1ab3 h ARG 67 N 0.64 0.00 0.01 0.17 2.43 -1.55 0.48 114.38 116.56 1ab3 h ARG 67 Ca 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1ab3 h ARG 67 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1ab3 h ARG 67 CO -0.01 0.00 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.52 1ab3 h TYR 68 N 0.00 -0.01 0.00 2.20 5.03 -1.48 -3.27 116.97 119.44 1ab3 h TYR 68 Ca 0.09 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1ab3 h TYR 68 Cb 1.29 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 1ab3 h TYR 68 CO 0.00 0.14 -0.20 1.25 -1.32 0.00 0.00 178.16 178.02 1ab3 h LEU 69 N -1.00 0.00 -1.47 2.82 5.85 -1.35 -3.25 115.31 116.92 1ab3 h LEU 69 Ca -0.00 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.55 1ab3 h LEU 69 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1ab3 h LEU 69 CO 0.00 0.78 0.78 0.06 -0.34 0.00 0.00 178.44 179.73 1ab3 h GLN 70 N -1.00 0.00 -0.00 1.25 -0.00 -0.24 0.38 115.11 115.50 1ab3 h GLN 70 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.41 1ab3 h GLN 70 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.99 1ab3 h GLN 70 CO -0.02 0.00 -0.78 0.00 -0.00 0.00 0.00 178.83 178.03 1ab3 h ARG 71 N 0.00 0.53 -0.70 0.06 2.47 -1.60 -3.11 114.38 112.04 1ab3 h ARG 71 Ca 0.28 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1ab3 h ARG 71 Cb 1.84 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.32 1ab3 h ARG 71 CO -0.00 1.20 0.00 0.39 0.56 0.00 0.00 179.97 182.11 1ab3 n GLU 72 N -4.07 1.97 0.00 0.04 1.02 0.13 -4.66 120.64 115.06 1ab3 n GLU 72 Ca -0.11 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1ab3 n GLU 72 Cb 0.76 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ab3 n ASP 73 N 0.17 0.00 0.12 1.62 8.00 -0.92 -4.99 116.55 120.55 1ab3 n ASP 73 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.56 1ab3 n ASP 73 Cb 0.43 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.62 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ab3 h PRO 74 N 0.00 0.00 -0.01 -0.24 0.13 -1.81 -2.91 132.00 127.15 1ab3 h PRO 74 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ab3 h PRO 74 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ab3 h PRO 74 CO 0.00 0.70 -0.79 1.49 -0.23 0.00 0.00 178.00 179.17 1ab3 h GLU 75 N 0.00 0.14 0.00 0.86 4.81 -1.96 -2.57 114.58 115.87 1ab3 h GLU 75 Ca -0.01 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ab3 h GLU 75 Cb 1.30 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1ab3 h GLU 75 CO 0.09 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 1ab3 h ARG 76 N 0.09 0.00 -0.96 1.92 2.47 -1.88 -2.59 114.38 113.43 1ab3 h ARG 76 Ca -0.03 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 1ab3 h ARG 76 Cb 1.38 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.60 1ab3 h ARG 76 CO 0.11 0.00 0.22 0.98 0.56 0.00 0.00 179.97 181.84 1ab3 n TYR 77 N -2.42 1.20 -2.13 3.04 9.36 -0.97 -3.62 117.16 121.64 1ab3 n TYR 77 Ca 0.02 -0.90 0.01 0.00 3.32 0.00 0.00 57.90 60.35 1ab3 n TYR 77 Cb 0.25 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 1ab3 n TYR 77 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ab3 n ARG 78 N -0.09 0.00 0.00 2.98 5.12 -0.97 -4.82 116.66 118.88 1ab3 n ARG 78 Ca 0.22 -1.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.03 1ab3 n ARG 78 Cb 0.92 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.98 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ab3 n ALA 79 N 0.13 3.00 0.28 7.54 0.00 -1.24 -4.76 120.51 125.46 1ab3 n ALA 79 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ab3 n ALA 79 Cb 0.78 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.40 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab3 n LEU 80 N -2.54 0.00 -0.01 0.00 4.77 -1.26 -1.17 117.00 116.78 1ab3 n LEU 80 Ca 0.00 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.34 1ab3 n LEU 80 Cb 0.00 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 40.83 1ab3 n LEU 80 CO 0.00 -0.32 0.69 0.16 -1.33 0.00 0.00 177.39 176.60 1ab3 h ILE 81 N 0.00 1.28 -0.00 -0.08 -0.00 -1.86 -0.62 117.51 116.23 1ab3 h ILE 81 Ca 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 64.86 63.50 1ab3 h ILE 81 Cb 0.10 1.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 1ab3 h ILE 81 CO 0.00 0.43 -0.04 -0.62 -0.00 0.00 0.00 178.15 177.92 1ab3 n GLU 82 N -4.10 0.67 -2.82 0.16 1.02 -0.32 -4.01 120.64 111.24 1ab3 n GLU 82 Ca -0.01 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 1ab3 n GLU 82 Cb 0.44 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ab3 n LYS 83 N -1.07 1.09 0.00 3.49 5.02 -0.38 -4.89 118.16 121.43 1ab3 n LYS 83 Ca 0.16 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1ab3 n LYS 83 Cb 0.23 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1ab3 n LEU 84 N 0.01 0.00 0.00 -0.35 -0.00 -0.41 -4.86 117.00 111.39 1ab3 n LEU 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1ab3 n LEU 84 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 1ab3 n LEU 84 CO 0.21 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1ab3 n GLY 85 N -0.53 0.92 0.00 1.47 0.00 -1.26 -4.74 105.19 101.05 1ab3 n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ab3 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab3 n ILE 86 N 0.00 0.00 0.00 -0.61 0.13 -1.26 -5.00 119.36 112.63 1ab3 n ILE 86 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ab3 n ILE 86 Cb 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 1ab3 n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ab3 n ARG 87 N -0.23 0.00 0.00 9.51 1.74 -1.26 -4.91 116.66 121.51 1ab3 n ARG 87 Ca 0.00 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.24 1ab3 n ARG 87 Cb 0.00 0.00 0.90 0.00 -1.02 0.00 0.00 32.46 32.34 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52