#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s LEU 2 N 0.00 -0.94 0.64 -3.43 2.96 -1.26 -5.06 118.68 111.59 3i1o s LEU 2 Ca 0.00 1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.74 3i1o s LEU 2 Cb 0.00 1.75 -0.10 0.00 0.50 0.00 0.00 46.19 48.34 3i1o s LEU 2 CO 0.00 -0.25 0.13 -1.54 -1.32 0.00 0.00 176.35 173.38 3i1o n SER 3 N 5.41 -2.63 -0.08 3.68 3.41 -1.26 -4.73 113.62 117.43 3i1o n SER 3 Ca -0.07 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.03 3i1o n SER 3 Cb 0.50 -1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 3i1o n SER 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i1o h THR 4 N -0.18 1.19 -0.55 6.66 2.02 -2.01 -2.68 112.91 117.36 3i1o h THR 4 Ca -0.44 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.24 3i1o h THR 4 Cb 1.39 1.13 -0.10 0.00 -1.74 0.00 0.00 68.15 68.84 3i1o h THR 4 CO 0.41 0.20 -0.03 -0.33 0.37 0.00 0.00 175.52 176.14 3i1o h GLU 5 N 0.24 0.08 0.30 6.66 5.08 -1.98 0.40 114.58 125.36 3i1o h GLU 5 Ca 0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i1o h GLU 5 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3i1o h GLU 5 CO -0.00 0.05 -0.47 0.00 -1.00 0.00 0.00 179.01 177.59 3i1o h ALA 6 N 1.51 -1.05 -0.42 3.43 0.00 -1.84 0.30 119.26 121.19 3i1o h ALA 6 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i1o h ALA 6 Cb 0.44 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i1o h ALA 6 CO -0.49 -1.11 0.20 1.79 0.00 0.00 0.00 179.25 179.64 3i1o h THR 7 N -0.81 1.18 -0.70 0.00 1.35 -1.25 -2.32 112.91 110.35 3i1o h THR 7 Ca -0.03 -0.50 0.15 0.00 -0.55 0.00 0.00 66.41 65.48 3i1o h THR 7 Cb 0.74 0.74 -0.13 0.00 -1.73 0.00 0.00 68.15 67.77 3i1o h THR 7 CO -0.15 0.19 -0.07 0.00 -0.25 0.00 0.00 175.52 175.24 3i1o h ALA 8 N 1.05 0.62 0.17 6.62 0.00 0.08 0.57 119.26 128.38 3i1o h ALA 8 Ca 0.14 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3i1o h ALA 8 Cb 0.12 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i1o h ALA 8 CO -0.02 -0.42 -0.09 -0.22 0.00 0.00 0.00 179.25 178.51 3i1o h LYS 9 N 0.06 -0.23 -1.17 0.00 3.64 -0.69 -3.11 116.57 115.06 3i1o h LYS 9 Ca 0.36 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 60.09 3i1o h LYS 9 Cb 0.60 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 3i1o h LYS 9 CO -0.66 -0.15 0.80 0.82 -2.27 0.00 0.00 179.45 177.99 3i1o h ILE 10 N -0.24 0.40 -0.19 2.00 2.04 -0.86 0.23 117.51 120.89 3i1o h ILE 10 Ca -0.02 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.83 3i1o h ILE 10 Cb 0.18 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 3i1o h ILE 10 CO 0.04 0.03 -0.22 0.58 0.00 0.00 0.00 178.15 178.58 3i1o h VAL 11 N 0.18 0.44 -0.04 1.67 2.07 0.20 -2.36 116.25 118.41 3i1o h VAL 11 Ca 0.63 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.08 3i1o h VAL 11 Cb 2.05 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3i1o h VAL 11 CO -0.19 0.00 -0.23 0.77 0.02 0.00 0.00 177.57 177.94 3i1o h SER 12 N -0.25 0.27 0.00 0.57 4.64 -0.61 0.34 113.55 118.51 3i1o h SER 12 Ca 0.12 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3i1o h SER 12 Cb 0.43 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3i1o h SER 12 CO -0.34 0.91 0.00 -0.62 -0.87 0.00 0.00 176.83 175.91 3i1o n GLU 13 N -4.52 0.00 0.00 4.77 4.71 -0.34 -0.10 120.64 125.16 3i1o n GLU 13 Ca -0.09 0.58 0.10 0.00 -0.01 0.00 0.00 57.16 57.74 3i1o n GLU 13 Cb 0.46 -1.03 0.61 0.00 -1.01 0.00 0.00 31.44 30.48 3i1o n GLU 13 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3i1o n PHE 14 N -1.54 0.00 -1.50 -0.32 3.01 -0.90 -4.86 117.46 111.35 3i1o n PHE 14 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3i1o n PHE 14 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 3i1o n PHE 14 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1o n GLY 15 N 0.78 -0.10 0.33 1.37 0.00 0.86 -4.25 105.19 104.18 3i1o n GLY 15 Ca 0.15 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.11 3i1o n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1o n ARG 16 N 8.59 -0.20 0.00 1.61 0.00 -1.26 -4.63 116.66 120.77 3i1o n ARG 16 Ca 0.52 1.32 0.00 0.00 -0.00 0.00 0.00 57.85 59.69 3i1o n ARG 16 Cb 0.24 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.74 3i1o n ARG 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i1o n ASP 17 N -5.26 0.38 -4.56 6.15 8.00 -1.26 -5.05 116.55 114.95 3i1o n ASP 17 Ca 0.09 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.20 3i1o n ASP 17 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3i1o n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1o s ALA 18 N -2.00 2.61 -0.34 2.24 0.00 -1.26 -4.46 121.76 118.55 3i1o s ALA 18 Ca 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 51.96 49.67 3i1o s ALA 18 Cb 0.00 -4.54 0.01 0.00 0.00 0.00 0.00 23.12 18.59 3i1o s ALA 18 CO 0.00 -3.76 0.32 -1.71 0.00 0.00 0.00 175.76 170.61 3i1o n ASN 19 N 9.51 -7.31 -3.75 0.00 5.15 -1.26 -5.08 115.26 112.52 3i1o n ASN 19 Ca 0.35 0.80 -0.14 0.00 -0.60 0.00 0.00 54.58 54.99 3i1o n ASN 19 Cb 0.50 -4.88 -0.15 0.00 -0.53 0.00 0.00 39.78 34.72 3i1o n ASN 19 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3i1o s ASP 20 N -2.03 -0.06 -0.00 1.20 1.47 -1.26 -5.07 116.67 110.91 3i1o s ASP 20 Ca 0.13 0.24 0.11 0.00 1.18 0.00 0.00 52.55 54.21 3i1o s ASP 20 Cb -0.04 0.12 -0.23 0.00 -0.34 0.00 0.00 42.92 42.44 3i1o s ASP 20 CO 0.69 -0.14 0.82 0.71 0.68 0.00 0.00 175.17 177.92 3i1o h THR 21 N 6.13 1.07 0.00 2.11 1.35 -1.98 -3.36 112.91 118.22 3i1o h THR 21 Ca -0.44 -2.88 -0.01 0.00 -0.55 0.00 0.00 66.41 62.53 3i1o h THR 21 Cb 1.13 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3i1o h THR 21 CO 0.44 0.62 -0.04 1.23 -0.25 0.00 0.00 175.52 177.51 3i1o h GLY 22 N 3.33 0.00 -5.84 5.82 0.00 -2.00 -3.41 103.07 100.97 3i1o h GLY 22 Ca -0.22 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.34 3i1o h GLY 22 CO 0.09 0.00 0.04 -1.26 0.00 0.00 0.00 176.54 175.41 3i1o n SER 23 N -3.14 -0.06 0.20 0.19 2.88 -1.26 -4.77 113.62 107.66 3i1o n SER 23 Ca 0.01 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.56 3i1o n SER 23 Cb 0.38 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 3i1o n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i1o h THR 24 N 2.86 0.00 -1.30 2.46 2.02 -1.97 -1.53 112.91 115.46 3i1o h THR 24 Ca -0.49 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.10 3i1o h THR 24 Cb 1.40 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.69 3i1o h THR 24 CO 0.63 0.00 0.84 -0.33 0.37 0.00 0.00 175.52 177.04 3i1o h GLU 25 N -0.70 0.12 -0.07 6.66 5.08 -1.89 0.34 114.58 124.11 3i1o h GLU 25 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i1o h GLU 25 Cb 0.62 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3i1o h GLU 25 CO -0.06 0.08 0.03 0.28 -1.00 0.00 0.00 179.01 178.34 3i1o h VAL 26 N 0.12 1.11 0.01 3.13 2.07 -1.48 -3.05 116.25 118.17 3i1o h VAL 26 Ca 0.79 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.98 3i1o h VAL 26 Cb 2.46 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 3i1o h VAL 26 CO -0.38 0.10 -0.01 1.56 0.02 0.00 0.00 177.57 178.86 3i1o h GLN 27 N -0.02 -0.02 -0.38 1.57 4.20 0.25 -0.50 115.11 120.21 3i1o h GLN 27 Ca 0.02 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.80 3i1o h GLN 27 Cb 0.13 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3i1o h GLN 27 CO -0.00 0.25 0.02 0.28 -0.67 0.00 0.00 178.83 178.70 3i1o h VAL 28 N -0.28 0.73 0.14 -0.54 2.07 -1.59 0.90 116.25 117.68 3i1o h VAL 28 Ca -0.00 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3i1o h VAL 28 Cb 0.27 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3i1o h VAL 28 CO 0.00 0.02 -0.32 0.00 0.02 0.00 0.00 177.57 177.30 3i1o h ALA 29 N 1.32 -0.56 -0.44 1.67 0.00 -1.45 1.40 119.26 121.21 3i1o h ALA 29 Ca 0.19 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3i1o h ALA 29 Cb 0.25 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3i1o h ALA 29 CO -0.30 -0.87 -0.49 -0.07 0.00 0.00 0.00 179.25 177.52 3i1o h LEU 30 N -0.56 -1.67 -0.21 0.00 3.38 0.19 0.82 115.31 117.27 3i1o h LEU 30 Ca 0.03 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3i1o h LEU 30 Cb 0.58 0.69 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 3i1o h LEU 30 CO -0.17 -0.33 -0.17 -0.07 0.09 0.00 0.00 178.44 177.79 3i1o h LEU 31 N -0.29 -0.54 -0.01 1.67 3.38 0.12 -2.88 115.31 116.76 3i1o h LEU 31 Ca 0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i1o h LEU 31 Cb 0.49 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3i1o h LEU 31 CO -0.57 -0.21 -0.01 0.74 0.09 0.00 0.00 178.44 178.48 3i1o h THR 32 N -0.17 0.00 -0.68 0.22 2.02 0.28 0.20 112.91 114.78 3i1o h THR 32 Ca 0.12 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.42 3i1o h THR 32 Cb 0.36 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 3i1o h THR 32 CO -0.32 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.36 3i1o n ALA 33 N -2.74 0.03 -0.07 6.16 0.00 0.20 0.14 120.51 124.23 3i1o n ALA 33 Ca -0.00 0.71 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 3i1o n ALA 33 Cb 0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 3i1o n ALA 33 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i1o h GLN 34 N 0.00 0.43 -1.01 0.00 -0.00 -1.05 -1.09 115.11 112.39 3i1o h GLN 34 Ca 0.28 -0.17 0.23 0.00 -0.00 0.00 0.00 58.65 58.99 3i1o h GLN 34 Cb 0.45 -0.02 -0.11 0.00 0.00 0.00 0.00 27.48 27.80 3i1o h GLN 34 CO -0.69 0.69 0.61 0.82 0.00 0.00 0.00 178.83 180.27 3i1o h ILE 35 N 0.14 0.59 0.31 2.39 2.04 0.28 0.14 117.51 123.41 3i1o h ILE 35 Ca 0.05 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3i1o h ILE 35 Cb 0.54 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3i1o h ILE 35 CO 0.03 0.11 -0.15 0.78 0.00 0.00 0.00 178.15 178.91 3i1o h ASN 36 N 0.60 -0.36 -0.95 1.72 4.21 -0.60 -2.98 115.58 117.22 3i1o h ASN 36 Ca 0.61 0.01 0.14 0.00 1.21 0.00 0.00 56.30 58.28 3i1o h ASN 36 Cb 1.18 0.09 -0.15 0.00 -1.12 0.00 0.00 38.32 38.32 3i1o h ASN 36 CO -0.41 -0.06 -0.38 1.57 -1.29 0.00 0.00 177.43 176.87 3i1o n HIS 37 N -4.23 0.01 0.16 1.19 -0.00 -0.46 0.74 115.22 112.63 3i1o n HIS 37 Ca -0.05 1.17 0.02 0.00 -0.00 0.00 0.00 57.72 58.86 3i1o n HIS 37 Cb 0.17 -0.84 0.10 0.00 -0.00 0.00 0.00 29.99 29.42 3i1o n HIS 37 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 3i1o n LEU 38 N -5.38 0.00 -0.02 0.27 7.94 0.49 -1.97 117.00 118.32 3i1o n LEU 38 Ca 0.09 0.49 -0.17 0.00 -1.11 0.00 0.00 56.01 55.31 3i1o n LEU 38 Cb 0.37 -0.49 -0.08 0.00 0.53 0.00 0.00 43.42 43.75 3i1o n LEU 38 CO -0.13 -0.41 0.30 -0.61 -1.11 0.00 0.00 177.39 175.42 3i1o h GLN 39 N 0.00 0.66 -0.09 1.96 4.15 0.48 -2.13 115.11 120.15 3i1o h GLN 39 Ca 0.00 -0.55 0.02 0.00 0.77 0.00 0.00 58.65 58.89 3i1o h GLN 39 Cb 0.08 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 3i1o h GLN 39 CO 0.00 1.17 0.08 0.78 -1.93 0.00 0.00 178.83 178.93 3i1o h GLY 40 N 0.32 0.00 0.60 2.39 0.00 -1.45 0.12 103.07 105.04 3i1o h GLY 40 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3i1o h GLY 40 CO 0.14 0.00 -0.21 0.84 0.00 0.00 0.00 176.54 177.31 3i1o h HIS 41 N 0.00 -0.55 0.00 5.60 -0.00 -1.47 -2.83 115.15 115.91 3i1o h HIS 41 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3i1o h HIS 41 Cb 0.20 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3i1o h HIS 41 CO 0.00 -0.23 0.00 1.19 -0.00 0.00 0.00 177.93 178.89 3i1o n PHE 42 N -5.20 0.00 0.14 5.26 3.01 -0.93 -1.95 117.46 117.79 3i1o n PHE 42 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.23 3i1o n PHE 42 Cb 0.29 -0.18 -0.08 0.00 -0.01 0.00 0.00 39.48 39.50 3i1o n PHE 42 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1o h ALA 43 N 3.13 -0.36 -1.97 4.37 0.00 -0.54 -3.33 119.26 120.57 3i1o h ALA 43 Ca 0.00 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 3i1o h ALA 43 Cb 0.12 0.14 0.09 0.00 0.00 0.00 0.00 17.79 18.15 3i1o h ALA 43 CO 0.00 -0.56 0.22 -2.00 0.00 0.00 0.00 179.25 176.91 3i1o s GLU 44 N -4.98 1.77 -0.56 0.00 2.12 -0.83 -4.48 118.70 111.74 3i1o s GLU 44 Ca -0.15 -0.54 -0.12 0.00 0.36 0.00 0.00 54.97 54.52 3i1o s GLU 44 Cb 0.03 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.27 3i1o s GLU 44 CO 0.58 -1.50 0.34 -2.39 -0.54 0.00 0.00 175.26 171.76 3i1o n HIS 45 N -3.03 -0.85 0.67 5.30 1.44 -1.26 -4.77 115.22 112.73 3i1o n HIS 45 Ca 0.11 0.18 0.08 0.00 -2.01 0.00 0.00 57.72 56.08 3i1o n HIS 45 Cb 0.60 -1.44 0.39 0.00 0.12 0.00 0.00 29.99 29.66 3i1o n HIS 45 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1o n LYS 46 N -2.55 0.11 -0.34 -1.40 5.02 -1.25 -2.37 118.16 115.37 3i1o n LYS 46 Ca -0.10 0.18 0.07 0.00 -2.02 0.00 0.00 58.31 56.43 3i1o n LYS 46 Cb 0.32 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.06 3i1o n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1o n LYS 47 N -1.40 2.53 -1.21 1.97 4.01 -1.26 -4.51 118.16 118.29 3i1o n LYS 47 Ca 0.06 -1.80 -0.19 0.00 -0.51 0.00 0.00 58.31 55.87 3i1o n LYS 47 Cb 0.17 -1.56 -0.10 0.00 -0.51 0.00 0.00 35.03 33.02 3i1o n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3i1o n ASP 48 N 0.74 5.88 -0.33 4.39 4.64 -1.00 -4.72 116.55 126.16 3i1o n ASP 48 Ca 0.16 -2.85 0.22 0.00 -1.38 0.00 0.00 54.79 50.95 3i1o n ASP 48 Cb 0.54 -1.31 0.45 0.00 -1.04 0.00 0.00 41.12 39.76 3i1o n ASP 48 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 3i1o h HIS 49 N 2.86 0.80 -0.89 -0.67 3.86 -1.89 -1.49 115.15 117.72 3i1o h HIS 49 Ca 0.28 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.57 3i1o h HIS 49 Cb 1.10 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.32 3i1o h HIS 49 CO 1.54 -0.21 0.57 0.45 0.86 0.00 0.00 177.93 181.14 3i1o h HIS 50 N 0.28 1.07 -0.14 2.45 3.86 -1.99 -2.06 115.15 118.62 3i1o h HIS 50 Ca 0.71 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.80 3i1o h HIS 50 Cb 1.60 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.72 3i1o h HIS 50 CO -0.07 0.60 -0.48 0.77 0.86 0.00 0.00 177.93 179.61 3i1o h SER 51 N 1.10 0.66 -0.91 2.45 0.02 -1.69 -3.27 113.55 111.91 3i1o h SER 51 Ca 0.36 -0.61 0.16 0.00 -0.84 0.00 0.00 61.79 60.87 3i1o h SER 51 Cb 0.04 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.31 3i1o h SER 51 CO -0.13 1.16 0.58 -0.09 -1.14 0.00 0.00 176.83 177.21 3i1o h ARG 52 N 0.20 0.62 -0.51 3.45 2.43 -1.07 0.63 114.38 120.13 3i1o h ARG 52 Ca -0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3i1o h ARG 52 Cb 1.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3i1o h ARG 52 CO 0.10 0.41 0.19 -0.09 -1.51 0.00 0.00 179.97 179.07 3i1o h ARG 53 N 0.63 0.74 0.00 0.20 2.43 -1.50 0.34 114.38 117.23 3i1o h ARG 53 Ca 0.47 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3i1o h ARG 53 Cb 0.85 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3i1o h ARG 53 CO -0.22 0.62 -0.26 0.78 -1.51 0.00 0.00 179.97 179.37 3i1o h GLY 54 N 0.88 0.00 0.34 2.80 0.00 0.12 -1.63 103.07 105.57 3i1o h GLY 54 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i1o h GLY 54 CO -0.01 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.48 3i1o h LEU 55 N 0.00 -0.12 -2.11 3.11 5.85 0.50 -2.95 115.31 119.59 3i1o h LEU 55 Ca -0.00 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.27 3i1o h LEU 55 Cb 0.52 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3i1o h LEU 55 CO 0.03 0.48 0.05 -0.07 -0.34 0.00 0.00 178.44 178.60 3i1o h LEU 56 N -0.80 0.00 -1.09 2.25 3.38 -0.38 0.48 115.31 119.13 3i1o h LEU 56 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i1o h LEU 56 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3i1o h LEU 56 CO 0.02 0.00 -0.17 -0.09 0.09 0.00 0.00 178.44 178.29 3i1o h ARG 57 N 0.00 0.00 0.06 1.13 2.43 -1.31 0.91 114.38 117.61 3i1o h ARG 57 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 3i1o h ARG 57 Cb 0.14 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3i1o h ARG 57 CO -0.00 0.17 -0.74 0.52 -1.51 0.00 0.00 179.97 178.41 3i1o h MET 58 N 0.00 0.39 -0.64 0.20 2.86 0.06 -2.40 114.93 115.40 3i1o h MET 58 Ca -0.00 -0.50 0.05 0.00 -2.06 0.00 0.00 59.70 57.18 3i1o h MET 58 Cb 0.73 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 3i1o h MET 58 CO 0.02 1.18 0.36 0.28 1.06 0.00 0.00 176.91 179.81 3i1o h VAL 59 N -0.16 1.00 -0.58 -2.22 2.07 -0.66 0.74 116.25 116.44 3i1o h VAL 59 Ca -0.11 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3i1o h VAL 59 Cb 1.49 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3i1o h VAL 59 CO 0.14 0.13 0.31 0.28 0.02 0.00 0.00 177.57 178.44 3i1o h SER 60 N 0.69 0.74 0.00 0.57 0.02 -0.91 -1.70 113.55 112.96 3i1o h SER 60 Ca 0.28 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3i1o h SER 60 Cb 0.13 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3i1o h SER 60 CO -0.16 0.63 -0.12 1.56 -1.14 0.00 0.00 176.83 177.60 3i1o h GLN 61 N 0.79 -0.20 -0.58 3.45 1.08 -0.74 -1.37 115.11 117.53 3i1o h GLN 61 Ca 0.20 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.51 3i1o h GLN 61 Cb 0.07 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.43 3i1o h GLN 61 CO -0.03 -0.13 -0.37 -0.09 -0.95 0.00 0.00 178.83 177.25 3i1o h ARG 62 N -0.21 -0.18 0.34 1.46 2.43 0.11 -1.11 114.38 117.22 3i1o h ARG 62 Ca 0.04 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3i1o h ARG 62 Cb 0.26 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3i1o h ARG 62 CO -0.12 -0.12 -0.16 -0.09 -1.51 0.00 0.00 179.97 177.97 3i1o h ARG 63 N -0.19 -0.44 -0.78 0.20 2.43 -1.13 -0.18 114.38 114.29 3i1o h ARG 63 Ca 0.21 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.64 3i1o h ARG 63 Cb 0.56 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3i1o h ARG 63 CO -0.68 -0.12 0.67 0.87 -1.51 0.00 0.00 179.97 179.20 3i1o h LYS 64 N -0.87 0.00 0.04 0.20 1.57 -1.08 0.48 116.57 116.91 3i1o h LYS 64 Ca -0.05 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3i1o h LYS 64 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3i1o h LYS 64 CO 0.08 0.00 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.66 3i1o h LEU 65 N 0.00 0.14 0.22 2.94 3.38 -1.00 -3.19 115.31 117.80 3i1o h LEU 65 Ca 0.37 -0.96 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 3i1o h LEU 65 Cb 1.70 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 3i1o h LEU 65 CO -0.00 1.09 -0.34 -0.07 0.09 0.00 0.00 178.44 179.21 3i1o h LEU 66 N -0.79 -0.96 -0.99 1.67 3.38 0.16 0.85 115.31 118.63 3i1o h LEU 66 Ca -0.04 0.09 0.35 0.00 0.09 0.00 0.00 57.88 58.37 3i1o h LEU 66 Cb 1.16 0.34 -0.17 0.00 0.09 0.00 0.00 40.66 42.08 3i1o h LEU 66 CO 0.04 -0.41 0.41 0.44 0.09 0.00 0.00 178.44 179.01 3i1o h ASP 67 N -0.59 0.16 0.29 -0.43 5.19 -0.44 0.56 116.42 121.16 3i1o h ASP 67 Ca -0.03 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3i1o h ASP 67 Cb 0.54 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.34 3i1o h ASP 67 CO -0.10 -0.33 -0.14 0.22 -3.12 0.00 0.00 179.24 175.77 3i1o h TYR 68 N 0.09 -0.36 0.00 4.55 3.20 -1.43 -2.91 116.97 120.11 3i1o h TYR 68 Ca 0.74 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.60 3i1o h TYR 68 Cb 1.80 0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.19 3i1o h TYR 68 CO -0.14 -0.22 0.30 -0.11 -1.64 0.00 0.00 178.16 176.34 3i1o n LEU 69 N -3.33 0.14 0.01 2.82 -0.00 0.47 -0.01 117.00 117.10 3i1o n LEU 69 Ca -0.05 0.38 -0.13 0.00 -0.00 0.00 0.00 56.01 56.21 3i1o n LEU 69 Cb 0.15 -0.34 -0.14 0.00 -0.00 0.00 0.00 43.42 43.09 3i1o n LEU 69 CO 0.12 -0.43 -0.48 0.50 -0.00 0.00 0.00 177.39 177.10 3i1o h LYS 70 N 0.00 0.11 0.20 1.96 3.64 0.12 -3.33 116.57 119.28 3i1o h LYS 70 Ca 0.00 -0.19 -0.32 0.00 -1.27 0.00 0.00 60.65 58.87 3i1o h LYS 70 Cb 0.60 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 3i1o h LYS 70 CO 0.00 0.83 -1.46 0.00 -2.27 0.00 0.00 179.45 176.55 3i1o h ARG 71 N 0.03 0.42 0.00 1.90 3.08 -0.25 -3.28 114.38 116.29 3i1o h ARG 71 Ca -0.28 -0.72 -0.03 0.00 0.07 0.00 0.00 59.98 59.02 3i1o h ARG 71 Cb 2.00 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 32.31 3i1o h ARG 71 CO 0.11 1.33 -0.13 0.87 -1.07 0.00 0.00 179.97 181.07 3i1o h LYS 72 N 0.11 0.00 -0.18 0.04 1.79 -1.59 -3.41 116.57 113.34 3i1o h LYS 72 Ca -0.23 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.44 3i1o h LYS 72 Cb 2.10 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 32.56 3i1o h LYS 72 CO 0.23 0.13 -0.01 0.34 -1.08 0.00 0.00 179.45 179.06 3i1o s ASP 73 N -6.21 -0.29 0.16 0.86 -1.08 -1.25 -5.07 116.67 103.79 3i1o s ASP 73 Ca -0.03 -0.02 -0.20 0.00 -0.52 0.00 0.00 52.55 51.78 3i1o s ASP 73 Cb 0.13 0.92 0.05 0.00 -1.46 0.00 0.00 42.92 42.56 3i1o s ASP 73 CO 0.60 -0.05 1.64 0.58 0.52 0.00 0.00 175.17 178.46 3i1o h VAL 74 N 4.04 0.47 -0.91 1.11 2.07 -1.81 -2.53 116.25 118.69 3i1o h VAL 74 Ca -0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.59 3i1o h VAL 74 Cb 1.19 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 3i1o h VAL 74 CO -0.11 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.07 3i1o h ALA 75 N 1.02 1.85 -0.01 1.67 0.00 -1.93 -0.44 119.26 121.41 3i1o h ALA 75 Ca 0.16 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 3i1o h ALA 75 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i1o h ALA 75 CO -0.39 -0.11 -0.87 0.00 0.00 0.00 0.00 179.25 177.87 3i1o h ARG 76 N 0.68 0.32 0.47 0.00 3.08 -1.80 -1.66 114.38 115.48 3i1o h ARG 76 Ca 0.47 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3i1o h ARG 76 Cb 0.79 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3i1o h ARG 76 CO -0.23 1.01 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.54 3i1o h TYR 77 N 0.19 -0.59 -0.04 3.04 3.20 -0.90 -1.63 116.97 120.24 3i1o h TYR 77 Ca -0.06 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3i1o h TYR 77 Cb 1.49 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 3i1o h TYR 77 CO 0.04 -0.32 0.06 1.79 -1.64 0.00 0.00 178.16 178.09 3i1o h THR 78 N -0.72 0.33 0.00 1.81 1.35 -1.18 0.39 112.91 114.89 3i1o h THR 78 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 3i1o h THR 78 Cb 0.53 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3i1o h THR 78 CO 0.11 0.00 -0.39 1.56 -0.25 0.00 0.00 175.52 176.54 3i1o h GLN 79 N 0.00 0.00 0.08 4.72 4.20 -1.01 -3.04 115.11 120.06 3i1o h GLN 79 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3i1o h GLN 79 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3i1o h GLN 79 CO -0.00 0.29 -0.04 1.25 -0.67 0.00 0.00 178.83 179.67 3i1o h LEU 80 N 0.00 -0.09 -1.63 1.46 6.46 0.75 -2.89 115.31 119.37 3i1o h LEU 80 Ca -0.01 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3i1o h LEU 80 Cb 1.24 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 3i1o h LEU 80 CO 0.04 0.40 0.26 0.16 -0.62 0.00 0.00 178.44 178.69 3i1o h ILE 81 N -1.03 1.08 -0.84 4.05 3.07 -1.62 0.13 117.51 122.36 3i1o h ILE 81 Ca -0.01 -0.17 0.14 0.00 1.55 0.00 0.00 64.86 66.36 3i1o h ILE 81 Cb 0.09 0.53 -0.09 0.00 -0.27 0.00 0.00 36.82 37.08 3i1o h ILE 81 CO 0.02 0.09 0.44 -0.08 -1.05 0.00 0.00 178.15 177.57 3i1o h GLU 82 N 0.51 0.63 -0.83 0.16 4.81 -1.62 0.25 114.58 118.49 3i1o h GLU 82 Ca 0.15 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.07 3i1o h GLU 82 Cb -0.02 -0.14 -0.16 0.00 0.63 0.00 0.00 28.75 29.06 3i1o h GLU 82 CO -0.03 0.42 0.35 -2.13 -0.73 0.00 0.00 179.01 176.88 3i1o n ARG 83 N -4.85 3.25 0.00 1.92 0.63 0.40 -4.14 116.66 113.87 3i1o n ARG 83 Ca 0.16 -2.86 0.00 0.00 -0.92 0.00 0.00 57.85 54.23 3i1o n ARG 83 Cb 0.40 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.16 3i1o n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i1o n LEU 84 N -0.33 0.00 -0.13 6.15 4.77 -0.61 -5.03 117.00 121.82 3i1o n LEU 84 Ca 0.43 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 3i1o n LEU 84 Cb 1.40 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.48 3i1o n LEU 84 CO 0.45 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 3i1o n GLY 85 N 0.00 0.49 0.00 -0.72 0.00 0.80 -5.01 105.19 100.75 3i1o n GLY 85 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3i1o n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1o n LEU 86 N -0.20 0.00 -3.02 0.99 4.77 -1.20 -4.82 117.00 113.52 3i1o n LEU 86 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3i1o n LEU 86 Cb 0.17 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3i1o n LEU 86 CO 0.03 -0.06 -0.39 -1.14 -1.33 0.00 0.00 177.39 174.49 3i1o n ARG 87 N 0.00 -1.53 0.00 3.23 3.00 -1.26 -4.97 116.66 115.13 3i1o n ARG 87 Ca 0.00 1.52 0.12 0.00 -0.00 0.00 0.00 57.85 59.49 3i1o n ARG 87 Cb 0.00 -2.14 0.72 0.00 0.00 0.00 0.00 32.46 31.04 3i1o n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17