#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s LEU 2 N 0.00 -0.97 -0.17 -3.43 2.96 -1.26 -5.06 118.68 110.75 3i1s s LEU 2 Ca 0.00 1.36 -0.41 0.00 -0.22 0.00 0.00 54.13 54.86 3i1s s LEU 2 Cb 0.00 2.14 -0.18 0.00 0.50 0.00 0.00 46.19 48.65 3i1s s LEU 2 CO 0.00 -0.19 1.47 -1.54 -1.32 0.00 0.00 176.35 174.77 3i1s n SER 3 N 5.19 1.46 -0.24 3.68 3.41 -1.26 -4.70 113.62 121.16 3i1s n SER 3 Ca -0.12 1.13 0.11 0.00 -0.26 0.00 0.00 58.87 59.72 3i1s n SER 3 Cb 0.51 -1.06 0.38 0.00 -0.26 0.00 0.00 64.21 63.78 3i1s n SER 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i1s h THR 4 N 4.21 0.88 0.30 6.66 2.02 -2.00 0.29 112.91 125.28 3i1s h THR 4 Ca -0.47 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i1s h THR 4 Cb 1.36 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3i1s h THR 4 CO 0.85 0.13 -0.30 -0.33 0.37 0.00 0.00 175.52 176.24 3i1s h GLU 5 N 0.69 -0.61 -0.37 6.66 5.08 -1.99 -1.22 114.58 122.82 3i1s h GLU 5 Ca 0.40 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.88 3i1s h GLU 5 Cb 0.60 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 3i1s h GLU 5 CO -0.17 -0.40 -0.20 0.00 -1.00 0.00 0.00 179.01 177.23 3i1s h ALA 6 N -0.06 0.06 0.35 3.43 0.00 -0.80 0.23 119.26 122.46 3i1s h ALA 6 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i1s h ALA 6 Cb 0.58 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3i1s h ALA 6 CO -0.06 -0.58 -0.49 1.79 0.00 0.00 0.00 179.25 179.91 3i1s h THR 7 N -0.14 0.04 -0.29 0.00 1.35 -1.16 0.99 112.91 113.71 3i1s h THR 7 Ca 0.18 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.10 3i1s h THR 7 Cb 0.43 0.04 -0.08 0.00 -1.73 0.00 0.00 68.15 66.81 3i1s h THR 7 CO -0.46 0.00 -0.43 0.00 -0.25 0.00 0.00 175.52 174.38 3i1s h ALA 8 N -0.66 -0.51 -0.49 6.62 0.00 -0.53 1.74 119.26 125.43 3i1s h ALA 8 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3i1s h ALA 8 Cb 0.81 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 3i1s h ALA 8 CO -0.14 -0.90 -0.44 -0.22 0.00 0.00 0.00 179.25 177.55 3i1s h LYS 9 N -0.40 -0.27 -0.99 0.00 3.64 -0.37 0.16 116.57 118.35 3i1s h LYS 9 Ca 0.11 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3i1s h LYS 9 Cb 0.60 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 3i1s h LYS 9 CO -0.50 -0.18 0.64 0.82 -2.27 0.00 0.00 179.45 177.96 3i1s h ILE 10 N -0.28 1.08 -0.82 2.00 2.04 0.69 0.15 117.51 122.37 3i1s h ILE 10 Ca 0.15 -0.39 0.18 0.00 1.00 0.00 0.00 64.86 65.80 3i1s h ILE 10 Cb 0.57 -0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.38 3i1s h ILE 10 CO -0.63 0.21 0.30 0.58 0.00 0.00 0.00 178.15 178.61 3i1s h VAL 11 N 1.14 0.53 0.10 1.67 2.07 0.55 -2.50 116.25 119.81 3i1s h VAL 11 Ca 0.43 -0.13 -0.37 0.00 0.82 0.00 0.00 66.70 67.45 3i1s h VAL 11 Cb 0.19 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3i1s h VAL 11 CO -0.17 0.07 -2.08 -1.54 0.02 0.00 0.00 177.57 173.87 3i1s n SER 12 N -5.07 2.02 -0.24 0.57 3.41 -0.82 -2.15 113.62 111.35 3i1s n SER 12 Ca 0.18 0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.96 3i1s n SER 12 Cb 0.53 -0.72 0.10 0.00 -0.26 0.00 0.00 64.21 63.86 3i1s n SER 12 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i1s h GLU 13 N 0.06 0.03 -0.54 4.33 3.07 -0.79 0.57 114.58 121.31 3i1s h GLU 13 Ca -0.45 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3i1s h GLU 13 Cb 2.01 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.91 3i1s h GLU 13 CO 0.06 0.02 0.00 1.19 -1.40 0.00 0.00 179.01 178.88 3i1s n PHE 14 N -5.41 1.21 -1.69 4.33 3.01 -0.96 -4.99 117.46 112.95 3i1s n PHE 14 Ca 0.10 -0.63 -0.50 0.00 1.01 0.00 0.00 57.45 57.43 3i1s n PHE 14 Cb 0.39 -0.21 -0.05 0.00 -0.01 0.00 0.00 39.48 39.60 3i1s n PHE 14 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1s n GLY 15 N 0.78 1.34 0.21 1.37 0.00 0.20 -4.14 105.19 104.94 3i1s n GLY 15 Ca 0.23 0.86 -0.07 0.00 0.00 0.00 0.00 46.02 47.04 3i1s n GLY 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1s h ARG 16 N 8.70 -0.28 0.00 1.61 1.12 -1.84 -3.45 114.38 120.23 3i1s h ARG 16 Ca -0.48 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 3i1s h ARG 16 Cb 1.28 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.30 3i1s h ARG 16 CO 0.95 -0.19 0.00 -0.25 -3.11 0.00 0.00 179.97 177.37 3i1s n ASP 17 N -3.79 0.00 -4.47 -3.80 8.00 -1.26 -5.06 116.55 106.17 3i1s n ASP 17 Ca -0.03 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.04 3i1s n ASP 17 Cb 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3i1s n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1s s ALA 18 N -2.12 3.15 -0.38 2.24 0.00 -1.26 -4.67 121.76 118.72 3i1s s ALA 18 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 3i1s s ALA 18 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.34 3i1s s ALA 18 CO 0.00 -2.64 0.36 -1.71 0.00 0.00 0.00 175.76 171.78 3i1s n ASN 19 N 7.53 -7.94 -3.72 0.00 5.15 -1.26 -5.07 115.26 109.95 3i1s n ASN 19 Ca -0.03 0.87 -0.13 0.00 -0.60 0.00 0.00 54.58 54.69 3i1s n ASN 19 Cb 0.46 -5.27 -0.10 0.00 -0.53 0.00 0.00 39.78 34.34 3i1s n ASN 19 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3i1s s ASP 20 N -2.19 -0.48 0.00 1.20 1.47 -1.26 -5.08 116.67 110.32 3i1s s ASP 20 Ca 0.15 0.91 0.23 0.00 1.18 0.00 0.00 52.55 55.02 3i1s s ASP 20 Cb -0.04 0.90 0.17 0.00 -0.34 0.00 0.00 42.92 43.61 3i1s s ASP 20 CO 0.77 -0.16 1.21 0.35 0.68 0.00 0.00 175.17 178.02 3i1s n THR 21 N 3.07 0.00 -0.01 2.11 -2.24 -1.26 -4.32 114.28 111.63 3i1s n THR 21 Ca -0.15 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.21 3i1s n THR 21 Cb 0.57 1.46 -0.14 0.00 -2.10 0.00 0.00 70.33 70.12 3i1s n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1s n GLY 22 N 1.29 -1.07 2.87 3.38 0.00 -1.26 -4.61 105.19 105.79 3i1s n GLY 22 Ca 0.13 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3i1s n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1s n SER 23 N -2.44 -1.16 0.06 1.61 2.88 -1.26 -4.72 113.62 108.59 3i1s n SER 23 Ca -0.09 0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 58.27 3i1s n SER 23 Cb 0.69 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 3i1s n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i1s h THR 24 N 0.80 0.83 -0.04 2.46 2.02 -1.96 -2.37 112.91 114.65 3i1s h THR 24 Ca -0.24 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3i1s h THR 24 Cb 1.22 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3i1s h THR 24 CO 0.48 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 176.04 3i1s h GLU 25 N -0.14 0.05 0.00 6.66 5.08 -1.87 -1.77 114.58 122.60 3i1s h GLU 25 Ca 0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i1s h GLU 25 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3i1s h GLU 25 CO -0.05 0.06 -0.00 0.28 -1.00 0.00 0.00 179.01 178.29 3i1s h VAL 26 N 0.05 1.40 -0.33 3.13 2.07 -1.63 -2.52 116.25 118.42 3i1s h VAL 26 Ca 0.01 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3i1s h VAL 26 Cb 0.03 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3i1s h VAL 26 CO -0.00 0.31 0.11 1.56 0.02 0.00 0.00 177.57 179.57 3i1s h GLN 27 N -0.52 0.24 -0.94 1.57 4.20 -0.93 0.01 115.11 118.74 3i1s h GLN 27 Ca -0.00 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3i1s h GLN 27 Cb 0.51 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 3i1s h GLN 27 CO 0.00 0.16 0.60 0.28 -0.67 0.00 0.00 178.83 179.21 3i1s h VAL 28 N 0.25 1.09 0.36 -0.54 2.07 -1.40 -1.94 116.25 116.14 3i1s h VAL 28 Ca 0.15 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3i1s h VAL 28 Cb 0.12 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3i1s h VAL 28 CO -0.15 0.20 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 3i1s h ALA 29 N 1.42 -1.05 -1.02 1.67 0.00 -0.88 -0.12 119.26 119.28 3i1s h ALA 29 Ca 0.40 -0.12 0.36 0.00 0.00 0.00 0.00 54.91 55.56 3i1s h ALA 29 Cb 0.13 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.13 3i1s h ALA 29 CO -0.16 -1.04 0.58 -0.07 0.00 0.00 0.00 179.25 178.56 3i1s h LEU 30 N -0.56 0.43 0.32 0.00 3.38 -0.63 0.50 115.31 118.74 3i1s h LEU 30 Ca -0.05 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3i1s h LEU 30 Cb 0.46 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3i1s h LEU 30 CO 0.04 -0.24 -0.15 -0.07 0.09 0.00 0.00 178.44 178.10 3i1s h LEU 31 N 0.20 -0.36 -0.28 1.67 3.38 -1.29 -3.22 115.31 115.40 3i1s h LEU 31 Ca 0.78 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.61 3i1s h LEU 31 Cb 1.93 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 3i1s h LEU 31 CO -0.65 0.03 -0.37 0.74 0.09 0.00 0.00 178.44 178.27 3i1s h THR 32 N -0.81 0.00 -0.90 0.22 2.02 0.19 0.73 112.91 114.36 3i1s h THR 32 Ca -0.04 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.32 3i1s h THR 32 Cb 0.52 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 3i1s h THR 32 CO 0.07 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.55 3i1s h ALA 33 N -0.46 2.06 0.08 6.16 0.00 -1.50 -0.88 119.26 124.72 3i1s h ALA 33 Ca 0.05 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 3i1s h ALA 33 Cb 0.39 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i1s h ALA 33 CO -0.40 -0.34 -1.03 0.37 0.00 0.00 0.00 179.25 177.85 3i1s h GLN 34 N 0.51 0.55 -0.44 0.00 -0.00 -1.11 -1.30 115.11 113.33 3i1s h GLN 34 Ca 0.47 -0.70 0.08 0.00 -0.00 0.00 0.00 58.65 58.50 3i1s h GLN 34 Cb 1.02 0.23 -0.07 0.00 0.00 0.00 0.00 27.48 28.66 3i1s h GLN 34 CO -0.20 1.30 0.03 0.82 0.00 0.00 0.00 178.83 180.78 3i1s h ILE 35 N 0.13 0.70 0.08 2.39 2.04 0.15 0.71 117.51 123.71 3i1s h ILE 35 Ca -0.15 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3i1s h ILE 35 Cb 1.73 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3i1s h ILE 35 CO 0.20 0.03 -0.04 0.78 0.00 0.00 0.00 178.15 179.12 3i1s h ASN 36 N 0.15 -0.09 -0.79 1.72 4.21 -1.24 -1.70 115.58 117.84 3i1s h ASN 36 Ca 0.22 -0.12 0.02 0.00 1.21 0.00 0.00 56.30 57.63 3i1s h ASN 36 Cb 0.30 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 3i1s h ASN 36 CO -0.34 0.07 0.52 -0.74 -1.29 0.00 0.00 177.43 175.66 3i1s h HIS 37 N -0.24 0.96 0.00 1.19 2.76 -0.69 0.11 115.15 119.24 3i1s h HIS 37 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3i1s h HIS 37 Cb 0.21 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.84 3i1s h HIS 37 CO -0.03 0.58 0.00 -0.11 -1.30 0.00 0.00 177.93 177.07 3i1s n LEU 38 N -4.44 0.00 0.05 0.26 7.94 0.24 -2.77 117.00 118.29 3i1s n LEU 38 Ca 0.10 0.34 -0.03 0.00 -1.11 0.00 0.00 56.01 55.31 3i1s n LEU 38 Cb 0.08 -0.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 3i1s n LEU 38 CO 0.35 -0.01 -0.06 -0.61 -1.11 0.00 0.00 177.39 175.96 3i1s h GLN 39 N 0.00 0.00 -0.15 1.96 4.15 0.19 -2.88 115.11 118.38 3i1s h GLN 39 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3i1s h GLN 39 Cb 0.33 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 3i1s h GLN 39 CO 0.00 0.54 -0.06 0.78 -1.93 0.00 0.00 178.83 178.16 3i1s h GLY 40 N 3.46 0.34 1.65 2.39 0.00 -1.32 -2.58 103.07 107.00 3i1s h GLY 40 Ca -0.12 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 46.95 3i1s h GLY 40 CO 0.08 0.27 0.14 0.84 0.00 0.00 0.00 176.54 177.87 3i1s h HIS 41 N -0.01 0.00 0.00 5.60 -0.00 -1.57 -0.94 115.15 118.23 3i1s h HIS 41 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3i1s h HIS 41 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3i1s h HIS 41 CO 0.06 0.00 -0.76 1.19 -0.00 0.00 0.00 177.93 178.43 3i1s n PHE 42 N -3.80 0.46 -0.04 5.26 0.99 -1.09 -3.79 117.46 115.46 3i1s n PHE 42 Ca 0.00 0.13 -0.10 0.00 -0.00 0.00 0.00 57.45 57.48 3i1s n PHE 42 Cb 0.25 -0.59 -0.04 0.00 -1.00 0.00 0.00 39.48 38.10 3i1s n PHE 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i1s h ALA 43 N 2.52 0.22 -2.34 4.37 0.00 -0.76 -3.28 119.26 119.99 3i1s h ALA 43 Ca 0.00 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 3i1s h ALA 43 Cb 0.74 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.51 3i1s h ALA 43 CO 0.00 -0.27 0.28 -2.00 0.00 0.00 0.00 179.25 177.26 3i1s s GLU 44 N -6.03 3.45 -0.09 0.00 2.12 -1.22 -4.55 118.70 112.39 3i1s s GLU 44 Ca -0.13 0.45 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 3i1s s GLU 44 Cb 0.08 -2.20 0.01 0.00 0.26 0.00 0.00 34.13 32.28 3i1s s GLU 44 CO 0.69 -0.49 0.13 -2.39 -0.54 0.00 0.00 175.26 172.67 3i1s n HIS 45 N -2.58 -0.53 1.49 5.30 1.44 -1.26 -4.82 115.22 114.26 3i1s n HIS 45 Ca 0.04 0.22 0.14 0.00 -2.01 0.00 0.00 57.72 56.11 3i1s n HIS 45 Cb 0.55 -0.51 0.57 0.00 0.12 0.00 0.00 29.99 30.72 3i1s n HIS 45 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1s n LYS 46 N 0.32 1.14 0.00 -1.40 5.02 -1.24 -3.82 118.16 118.18 3i1s n LYS 46 Ca -0.02 -0.54 0.13 0.00 -2.02 0.00 0.00 58.31 55.86 3i1s n LYS 46 Cb 0.22 -1.49 0.46 0.00 -0.02 0.00 0.00 35.03 34.20 3i1s n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1s n LYS 47 N -0.46 0.14 -1.05 1.97 4.01 -1.26 -4.53 118.16 116.98 3i1s n LYS 47 Ca 0.17 -0.05 -0.44 0.00 -0.51 0.00 0.00 58.31 57.48 3i1s n LYS 47 Cb 0.30 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.26 3i1s n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3i1s n ASP 48 N -1.38 2.30 0.19 4.39 4.64 -1.25 -4.69 116.55 120.74 3i1s n ASP 48 Ca 0.08 -2.65 0.05 0.00 -1.38 0.00 0.00 54.79 50.89 3i1s n ASP 48 Cb 0.33 -1.02 0.51 0.00 -1.04 0.00 0.00 41.12 39.90 3i1s n ASP 48 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 3i1s h HIS 49 N 8.19 0.10 0.23 -0.67 3.86 -1.94 -2.91 115.15 122.02 3i1s h HIS 49 Ca 0.40 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 3i1s h HIS 49 Cb 0.67 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.11 3i1s h HIS 49 CO 1.21 0.18 -0.11 0.45 0.86 0.00 0.00 177.93 180.52 3i1s h HIS 50 N 0.10 -0.29 -0.95 2.45 3.86 -1.98 -3.13 115.15 115.21 3i1s h HIS 50 Ca 0.02 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 3i1s h HIS 50 Cb 0.20 0.10 -0.07 0.00 1.06 0.00 0.00 27.41 28.69 3i1s h HIS 50 CO 0.00 0.06 0.59 0.77 0.86 0.00 0.00 177.93 180.22 3i1s h SER 51 N -0.71 0.90 0.56 2.45 0.02 -1.95 -2.25 113.55 112.58 3i1s h SER 51 Ca -0.03 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3i1s h SER 51 Cb 0.49 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3i1s h SER 51 CO 0.05 0.53 -0.08 -0.09 -1.14 0.00 0.00 176.83 176.11 3i1s h ARG 52 N 1.01 0.00 -0.18 3.45 2.43 -1.53 -2.19 114.38 117.37 3i1s h ARG 52 Ca 0.44 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.55 3i1s h ARG 52 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3i1s h ARG 52 CO -0.22 0.08 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.09 3i1s h ARG 53 N 0.00 0.41 -0.91 0.20 2.43 -1.34 0.20 114.38 115.36 3i1s h ARG 53 Ca -0.00 -0.20 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3i1s h ARG 53 Cb 0.38 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 3i1s h ARG 53 CO 0.01 0.75 0.59 0.78 -1.51 0.00 0.00 179.97 180.59 3i1s h GLY 54 N 0.07 1.34 1.00 2.80 0.00 -1.46 0.17 103.07 106.99 3i1s h GLY 54 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3i1s h GLY 54 CO 0.04 0.23 -0.42 -2.00 0.00 0.00 0.00 176.54 174.38 3i1s h LEU 55 N 0.94 -1.00 -1.47 3.11 5.85 -1.10 -1.52 115.31 120.13 3i1s h LEU 55 Ca 0.42 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.51 3i1s h LEU 55 Cb 0.35 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 3i1s h LEU 55 CO -0.18 -0.71 0.77 -0.07 -0.34 0.00 0.00 178.44 177.92 3i1s h LEU 56 N -1.19 0.31 0.11 2.25 3.38 0.10 0.20 115.31 120.46 3i1s h LEU 56 Ca -0.12 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i1s h LEU 56 Cb 0.90 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3i1s h LEU 56 CO 0.20 -0.02 -0.05 -0.09 0.09 0.00 0.00 178.44 178.57 3i1s h ARG 57 N 0.23 -0.14 -0.27 1.13 2.43 -0.09 -0.87 114.38 116.80 3i1s h ARG 57 Ca 0.68 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.85 3i1s h ARG 57 Cb 2.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3i1s h ARG 57 CO -0.29 0.02 0.14 0.52 -1.51 0.00 0.00 179.97 178.84 3i1s h MET 58 N -0.27 0.38 -0.99 0.20 0.00 0.25 0.58 114.93 115.07 3i1s h MET 58 Ca -0.01 -0.05 0.23 0.00 0.00 0.00 0.00 59.70 59.86 3i1s h MET 58 Cb 0.22 -0.07 -0.09 0.00 0.00 0.00 0.00 31.60 31.66 3i1s h MET 58 CO 0.02 0.34 0.63 0.28 0.00 0.00 0.00 176.91 178.19 3i1s h VAL 59 N 0.31 0.62 -0.05 -2.22 2.07 -0.63 0.32 116.25 116.66 3i1s h VAL 59 Ca 0.09 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3i1s h VAL 59 Cb 0.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3i1s h VAL 59 CO -0.01 0.10 -0.10 0.28 0.02 0.00 0.00 177.57 177.85 3i1s h SER 60 N 0.52 0.18 -0.15 0.57 0.02 0.12 -2.84 113.55 111.98 3i1s h SER 60 Ca 0.56 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3i1s h SER 60 Cb 1.22 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 3i1s h SER 60 CO -0.31 0.71 -0.22 1.56 -1.14 0.00 0.00 176.83 177.43 3i1s h GLN 61 N -0.34 -0.16 -0.99 3.45 1.08 0.78 0.23 115.11 119.16 3i1s h GLN 61 Ca 0.00 0.01 0.38 0.00 -1.45 0.00 0.00 58.65 57.59 3i1s h GLN 61 Cb 0.68 0.04 -0.17 0.00 -0.05 0.00 0.00 27.48 27.97 3i1s h GLN 61 CO 0.02 -0.11 0.47 -0.09 -0.95 0.00 0.00 178.83 178.18 3i1s h ARG 62 N -0.16 0.07 -0.06 1.46 2.43 -0.50 0.80 114.38 118.42 3i1s h ARG 62 Ca 0.03 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3i1s h ARG 62 Cb 0.24 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3i1s h ARG 62 CO -0.23 0.05 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.09 3i1s h ARG 63 N 0.07 0.17 -0.92 0.20 9.65 -1.02 -1.73 114.38 120.79 3i1s h ARG 63 Ca 0.79 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 59.55 3i1s h ARG 63 Cb 1.97 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 30.52 3i1s h ARG 63 CO -0.75 0.67 0.53 0.87 2.80 0.00 0.00 179.97 184.09 3i1s h LYS 64 N -0.32 1.27 0.00 0.20 1.57 0.37 1.23 116.57 120.89 3i1s h LYS 64 Ca 0.00 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3i1s h LYS 64 Cb 0.66 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3i1s h LYS 64 CO 0.02 0.91 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.26 3i1s h LEU 65 N 1.28 0.00 0.27 2.94 3.38 -0.45 -2.97 115.31 119.77 3i1s h LEU 65 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3i1s h LEU 65 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i1s h LEU 65 CO -0.06 0.48 -0.13 -0.07 0.09 0.00 0.00 178.44 178.75 3i1s h LEU 66 N 0.00 -0.31 -1.92 1.67 3.38 -0.07 -2.41 115.31 115.65 3i1s h LEU 66 Ca -0.00 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.29 3i1s h LEU 66 Cb 0.96 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3i1s h LEU 66 CO 0.06 -0.03 0.84 0.44 0.09 0.00 0.00 178.44 179.84 3i1s h ASP 67 N -0.75 0.00 0.00 -0.43 5.19 0.14 0.26 116.42 120.82 3i1s h ASP 67 Ca -0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 3i1s h ASP 67 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3i1s h ASP 67 CO 0.06 0.00 -0.29 0.22 -3.12 0.00 0.00 179.24 176.11 3i1s h TYR 68 N 0.00 0.00 -0.45 4.55 3.20 -1.63 -3.25 116.97 119.39 3i1s h TYR 68 Ca 0.51 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.52 3i1s h TYR 68 Cb 2.19 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.44 3i1s h TYR 68 CO 0.00 1.11 0.37 1.25 -1.64 0.00 0.00 178.16 179.26 3i1s h LEU 69 N -1.00 0.00 0.01 2.82 7.12 -0.29 -0.77 115.31 123.20 3i1s h LEU 69 Ca -0.08 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 3i1s h LEU 69 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 3i1s h LEU 69 CO -0.05 0.00 -0.00 0.50 -0.13 0.00 0.00 178.44 178.76 3i1s h LYS 70 N 0.00 -0.01 0.00 1.25 3.64 -0.69 -2.11 116.57 118.64 3i1s h LYS 70 Ca 0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3i1s h LYS 70 Cb 0.96 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3i1s h LYS 70 CO -0.00 0.20 -0.16 0.00 -2.27 0.00 0.00 179.45 177.22 3i1s h ARG 71 N -0.22 0.00 0.09 1.90 3.08 -1.30 -3.03 114.38 114.89 3i1s h ARG 71 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i1s h ARG 71 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i1s h ARG 71 CO 0.00 0.16 -0.04 0.87 -1.07 0.00 0.00 179.97 179.89 3i1s h LYS 72 N 0.00 -0.12 -1.44 0.04 1.79 -0.90 -3.46 116.57 112.48 3i1s h LYS 72 Ca -0.00 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3i1s h LYS 72 Cb 0.65 0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.11 3i1s h LYS 72 CO 0.02 0.20 -0.10 0.34 -1.08 0.00 0.00 179.45 178.82 3i1s s ASP 73 N -5.38 -1.10 0.01 0.86 -1.08 -0.82 -5.07 116.67 104.09 3i1s s ASP 73 Ca -0.15 1.17 -0.04 0.00 -0.52 0.00 0.00 52.55 53.01 3i1s s ASP 73 Cb 0.03 2.11 -0.02 0.00 -1.46 0.00 0.00 42.92 43.58 3i1s s ASP 73 CO 0.64 -0.21 1.06 0.58 0.52 0.00 0.00 175.17 177.76 3i1s h VAL 74 N 5.88 0.00 -1.11 1.11 2.07 -1.83 -1.52 116.25 120.85 3i1s h VAL 74 Ca -0.19 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.65 3i1s h VAL 74 Cb 1.13 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3i1s h VAL 74 CO 0.13 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.52 3i1s h ALA 75 N -1.49 3.00 -0.12 1.67 0.00 -1.96 0.13 119.26 120.49 3i1s h ALA 75 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i1s h ALA 75 Cb 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i1s h ALA 75 CO -0.03 -1.33 -0.17 0.00 0.00 0.00 0.00 179.25 177.72 3i1s h ARG 76 N 0.02 0.33 0.22 0.00 3.08 -1.76 -2.51 114.38 113.76 3i1s h ARG 76 Ca 0.53 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 3i1s h ARG 76 Cb 2.09 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.15 3i1s h ARG 76 CO -0.02 0.76 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.62 3i1s h TYR 77 N -0.07 -0.27 -0.97 3.04 3.20 0.17 -2.78 116.97 119.30 3i1s h TYR 77 Ca 0.01 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.07 3i1s h TYR 77 Cb 0.73 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.98 3i1s h TYR 77 CO 0.09 0.09 0.56 1.79 -1.64 0.00 0.00 178.16 179.05 3i1s h THR 78 N -0.69 0.66 0.00 1.81 1.35 -1.21 0.30 112.91 115.13 3i1s h THR 78 Ca -0.03 -0.23 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 3i1s h THR 78 Cb 0.48 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3i1s h THR 78 CO 0.05 0.12 -0.30 -0.61 -0.25 0.00 0.00 175.52 174.53 3i1s h GLN 79 N 0.68 0.00 0.08 4.72 4.15 -1.44 -2.69 115.11 120.61 3i1s h GLN 79 Ca 0.57 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.98 3i1s h GLN 79 Cb 0.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.61 3i1s h GLN 79 CO -0.41 0.30 -0.04 1.25 -1.93 0.00 0.00 178.83 178.01 3i1s h LEU 80 N 0.00 -0.09 -0.79 -2.39 6.46 -0.14 -2.97 115.31 115.39 3i1s h LEU 80 Ca -0.00 -0.51 -0.03 0.00 -0.12 0.00 0.00 57.88 57.22 3i1s h LEU 80 Cb 0.82 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 3i1s h LEU 80 CO 0.04 0.53 0.39 0.16 -0.62 0.00 0.00 178.44 178.93 3i1s h ILE 81 N -0.77 1.25 -0.27 4.05 3.07 -1.38 -1.25 117.51 122.20 3i1s h ILE 81 Ca -0.01 -0.68 -0.02 0.00 1.55 0.00 0.00 64.86 65.70 3i1s h ILE 81 Cb 0.59 0.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.37 3i1s h ILE 81 CO 0.02 0.29 0.08 1.05 -1.05 0.00 0.00 178.15 178.54 3i1s h GLU 82 N 1.11 0.37 -0.66 0.16 4.11 -1.57 0.18 114.58 118.28 3i1s h GLU 82 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3i1s h GLU 82 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3i1s h GLU 82 CO -0.04 0.34 0.00 -2.13 0.07 0.00 0.00 179.01 177.25 3i1s n ARG 83 N -4.40 2.83 0.00 1.06 0.63 -0.79 -3.79 116.66 112.20 3i1s n ARG 83 Ca 0.01 -2.47 0.00 0.00 -0.92 0.00 0.00 57.85 54.47 3i1s n ARG 83 Cb 0.15 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.44 3i1s n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i1s n LEU 84 N 1.33 0.61 -2.35 6.15 4.77 -0.51 -4.99 117.00 122.00 3i1s n LEU 84 Ca 0.23 -0.61 -0.16 0.00 -0.03 0.00 0.00 56.01 55.44 3i1s n LEU 84 Cb 0.64 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3i1s n LEU 84 CO 0.17 0.15 -0.20 0.61 -1.33 0.00 0.00 177.39 176.79 3i1s n GLY 85 N -0.02 -0.35 1.59 -0.72 0.00 0.52 -4.95 105.19 101.26 3i1s n GLY 85 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i1s n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1s n LEU 86 N -2.83 0.00 -2.48 0.99 4.77 -0.78 -4.87 117.00 111.80 3i1s n LEU 86 Ca -0.19 -1.00 -0.06 0.00 -0.03 0.00 0.00 56.01 54.74 3i1s n LEU 86 Cb 0.63 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3i1s n LEU 86 CO 0.22 -0.60 0.03 -1.14 -1.33 0.00 0.00 177.39 174.57 3i1s n ARG 87 N -1.55 -1.75 0.00 3.23 3.00 -1.26 -4.74 116.66 113.60 3i1s n ARG 87 Ca 0.07 1.69 0.04 0.00 -0.00 0.00 0.00 57.85 59.64 3i1s n ARG 87 Cb 0.24 -4.53 0.21 0.00 0.00 0.00 0.00 32.46 28.38 3i1s n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17