#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibi s GLN 2 N 0.00 3.18 0.29 2.12 -2.07 -1.26 -0.97 119.66 120.94 2ibi s GLN 2 Ca 0.00 -0.38 0.06 0.00 -1.82 0.00 0.00 55.36 53.22 2ibi s GLN 2 Cb 0.00 -2.88 -0.06 0.00 -1.09 0.00 0.00 33.01 28.98 2ibi s GLN 2 CO 0.00 0.64 -0.03 0.96 -1.32 0.00 0.00 175.29 175.54 2ibi s ILE 3 N -0.69 1.50 0.24 3.63 -4.36 -0.73 0.21 121.20 121.00 2ibi s ILE 3 Ca 0.11 -2.08 0.11 0.00 -0.26 0.00 0.00 60.65 58.53 2ibi s ILE 3 Cb -0.12 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 2ibi s ILE 3 CO 0.02 -0.24 -0.19 -0.36 0.24 0.00 0.00 174.94 174.42 2ibi s PHE 4 N -3.10 2.37 -0.15 1.37 0.40 -0.34 -0.82 117.98 117.71 2ibi s PHE 4 Ca 0.31 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2ibi s PHE 4 Cb 0.05 -1.09 0.03 0.00 0.51 0.00 0.00 43.02 42.52 2ibi s PHE 4 CO 0.12 0.61 -0.07 0.08 0.70 0.00 0.00 175.22 176.67 2ibi s VAL 5 N -2.11 1.12 -0.47 -0.44 1.01 -0.06 -0.52 120.40 118.93 2ibi s VAL 5 Ca 0.26 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 2ibi s VAL 5 Cb -0.07 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2ibi s VAL 5 CO 0.14 0.24 1.36 -0.75 0.00 0.00 0.00 175.10 176.08 2ibi s LYS 6 N 1.65 3.53 0.00 2.72 2.47 -0.15 -1.35 119.74 128.60 2ibi s LYS 6 Ca 0.03 0.72 0.00 0.00 -1.56 0.00 0.00 55.97 55.16 2ibi s LYS 6 Cb -0.14 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 2ibi s LYS 6 CO -0.08 -1.63 0.00 0.25 0.16 0.00 0.00 175.35 174.04 2ibi n THR 7 N 6.98 0.00 0.09 3.43 -2.24 0.52 -1.27 114.28 121.79 2ibi n THR 7 Ca 0.14 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 2ibi n THR 7 Cb 0.49 -1.77 -0.09 0.00 -2.10 0.00 0.00 70.33 66.85 2ibi n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ibi h LEU 8 N 0.00 0.27 -2.09 3.22 3.38 -1.82 -3.35 115.31 114.91 2ibi h LEU 8 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ibi h LEU 8 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ibi h LEU 8 CO 0.00 1.15 0.00 0.35 0.09 0.00 0.00 178.44 180.03 2ibi n THR 9 N -3.53 0.45 0.00 0.22 -2.24 -1.26 -4.94 114.28 102.97 2ibi n THR 9 Ca -0.05 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2ibi n THR 9 Cb 0.93 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 2ibi n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ibi n GLY 10 N 0.61 0.98 3.86 3.38 0.00 -1.26 -5.11 105.19 107.65 2ibi n GLY 10 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2ibi n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ibi s LYS 11 N -0.33 3.75 -0.14 1.61 2.20 -1.26 -4.92 119.74 120.65 2ibi s LYS 11 Ca 0.00 0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.77 2ibi s LYS 11 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2ibi s LYS 11 CO 0.00 0.61 -0.08 0.99 -0.36 0.00 0.00 175.35 176.51 2ibi s THR 12 N -1.29 3.48 0.25 3.43 2.01 -1.26 -0.35 115.64 121.91 2ibi s THR 12 Ca 0.29 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.86 2ibi s THR 12 Cb -0.14 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 2ibi s THR 12 CO 0.16 0.51 0.12 0.27 -0.69 0.00 0.00 174.62 174.99 2ibi s ILE 13 N 0.30 4.07 -0.10 1.82 -4.36 -0.46 -4.93 121.20 117.53 2ibi s ILE 13 Ca -0.07 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 2ibi s ILE 13 Cb -0.15 -3.18 -0.02 0.00 1.25 0.00 0.00 42.46 40.36 2ibi s ILE 13 CO 0.04 -0.35 -0.12 -0.89 0.24 0.00 0.00 174.94 173.86 2ibi s THR 14 N -2.19 3.19 -0.05 8.37 2.01 -1.26 -0.88 115.64 124.83 2ibi s THR 14 Ca 0.32 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2ibi s THR 14 Cb -0.07 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 2ibi s THR 14 CO 0.23 0.55 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.71 2ibi s LEU 15 N -0.06 2.04 -0.18 4.42 1.43 -0.00 -4.99 118.68 121.34 2ibi s LEU 15 Ca -0.02 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 2ibi s LEU 15 Cb -0.14 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2ibi s LEU 15 CO 0.04 0.24 0.48 -0.70 0.23 0.00 0.00 176.35 176.64 2ibi s GLU 16 N -0.23 4.22 0.12 1.70 2.56 -1.26 -1.77 118.70 124.04 2ibi s GLU 16 Ca -0.00 0.37 -0.10 0.00 0.00 0.00 0.00 54.97 55.24 2ibi s GLU 16 Cb -0.12 -3.52 -0.00 0.00 2.00 0.00 0.00 34.13 32.48 2ibi s GLU 16 CO 0.02 -0.05 0.25 0.14 -0.56 0.00 0.00 175.26 175.07 2ibi s VAL 17 N 1.30 0.11 0.14 3.70 -7.23 -0.15 -4.99 120.40 113.28 2ibi s VAL 17 Ca 0.23 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 2ibi s VAL 17 Cb -0.15 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2ibi s VAL 17 CO 0.09 -0.48 0.02 -1.61 -0.31 0.00 0.00 175.10 172.81 2ibi s GLU 18 N -3.89 2.53 0.54 4.82 0.41 -1.26 -2.74 118.70 119.10 2ibi s GLU 18 Ca 0.09 -0.96 0.32 0.00 -0.41 0.00 0.00 54.97 54.01 2ibi s GLU 18 Cb 0.04 -2.47 1.48 0.00 -1.78 0.00 0.00 34.13 31.40 2ibi s GLU 18 CO -0.07 0.50 1.89 -1.35 -0.49 0.00 0.00 175.26 175.73 2ibi h PRO 19 N 2.99 0.00 -0.00 0.39 0.11 -1.97 -0.84 132.00 132.68 2ibi h PRO 19 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ibi h PRO 19 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ibi h PRO 19 CO 0.59 0.00 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.10 2ibi n SER 20 N -4.27 0.18 -4.63 -2.05 3.41 -1.26 -1.60 113.62 103.40 2ibi n SER 20 Ca 0.19 0.18 -0.45 0.00 -0.26 0.00 0.00 58.87 58.53 2ibi n SER 20 Cb 0.97 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 2ibi n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ibi n ASP 21 N -1.45 2.00 -4.87 4.04 9.92 -0.32 -4.77 116.55 121.09 2ibi n ASP 21 Ca 0.07 1.17 -0.30 0.00 -0.53 0.00 0.00 54.79 55.20 2ibi n ASP 21 Cb 0.33 -1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 39.44 2ibi n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2ibi s THR 22 N -0.69 4.74 0.25 -3.53 -4.23 -1.26 -1.82 115.64 109.10 2ibi s THR 22 Ca 0.62 0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 61.80 2ibi s THR 22 Cb -0.68 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 69.60 2ibi s THR 22 CO 0.57 -0.75 1.87 0.40 -0.54 0.00 0.00 174.62 176.17 2ibi h ILE 23 N 0.60 1.08 -0.46 2.99 5.03 -1.64 0.19 117.51 125.30 2ibi h ILE 23 Ca -0.46 -0.36 0.09 0.00 -0.12 0.00 0.00 64.86 64.00 2ibi h ILE 23 Cb 1.19 -0.07 -0.10 0.00 -3.03 0.00 0.00 36.82 34.81 2ibi h ILE 23 CO 0.62 0.19 -0.27 -0.33 -0.68 0.00 0.00 178.15 177.68 2ibi h GLU 24 N 1.06 -0.17 -0.81 2.37 3.07 -1.89 0.33 114.58 118.54 2ibi h GLU 24 Ca 0.38 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 2ibi h GLU 24 Cb 0.12 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 2ibi h GLU 24 CO -0.16 -0.11 0.38 -0.97 -1.40 0.00 0.00 179.01 176.75 2ibi h ASN 25 N -0.18 1.07 -0.61 1.42 -0.00 -1.40 -1.44 115.58 114.45 2ibi h ASN 25 Ca 0.21 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.30 56.37 2ibi h ASN 25 Cb 0.51 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.52 2ibi h ASN 25 CO -0.56 0.91 0.35 0.58 -0.00 0.00 0.00 177.43 178.70 2ibi h VAL 26 N 1.16 1.19 -0.31 2.57 2.07 -0.00 -2.37 116.25 120.56 2ibi h VAL 26 Ca 0.28 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2ibi h VAL 26 Cb 0.13 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2ibi h VAL 26 CO -0.03 0.20 0.17 0.11 0.02 0.00 0.00 177.57 178.04 2ibi h LYS 27 N 0.83 0.41 -0.50 1.57 1.57 0.23 -1.74 116.57 118.94 2ibi h LYS 27 Ca 0.22 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 2ibi h LYS 27 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2ibi h LYS 27 CO -0.04 0.30 -0.12 0.00 -0.57 0.00 0.00 179.45 179.03 2ibi h ALA 28 N 1.77 0.83 -0.64 3.86 0.00 -0.80 0.72 119.26 125.00 2ibi h ALA 28 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2ibi h ALA 28 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ibi h ALA 28 CO -0.02 0.65 0.20 0.87 0.00 0.00 0.00 179.25 180.96 2ibi h LYS 29 N 0.84 1.00 -0.32 0.00 1.57 -1.02 0.43 116.57 119.08 2ibi h LYS 29 Ca 0.13 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2ibi h LYS 29 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2ibi h LYS 29 CO 0.05 0.87 -0.05 0.82 -0.57 0.00 0.00 179.45 180.57 2ibi h ILE 30 N 0.93 1.27 -0.90 1.86 2.04 -1.10 -2.43 117.51 119.18 2ibi h ILE 30 Ca 0.21 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.04 2ibi h ILE 30 Cb 0.29 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2ibi h ILE 30 CO -0.01 0.34 0.58 -0.61 0.00 0.00 0.00 178.15 178.46 2ibi h GLN 31 N 0.37 1.08 -0.60 2.37 4.15 -0.56 0.24 115.11 122.16 2ibi h GLN 31 Ca 0.08 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.52 2ibi h GLN 31 Cb 0.53 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 2ibi h GLN 31 CO 0.03 0.71 0.40 -0.44 -1.93 0.00 0.00 178.83 177.60 2ibi h ASP 32 N 1.11 0.44 0.09 -0.69 3.32 0.16 0.15 116.42 120.99 2ibi h ASP 32 Ca 0.37 0.01 -0.37 0.00 0.02 0.00 0.00 57.03 57.05 2ibi h ASP 32 Cb 0.05 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2ibi h ASP 32 CO -0.13 0.27 -2.18 0.29 -1.72 0.00 0.00 179.24 175.77 2ibi n LYS 33 N -4.48 0.71 -0.00 3.56 5.02 -0.83 -4.67 118.16 117.48 2ibi n LYS 33 Ca 0.09 0.21 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 2ibi n LYS 33 Cb 0.31 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 2ibi n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ibi n GLU 34 N -3.36 1.95 -2.26 1.97 -0.58 0.78 -4.99 120.64 114.14 2ibi n GLU 34 Ca -0.37 -0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.16 2ibi n GLU 34 Cb 1.03 -1.18 -0.01 0.00 -0.57 0.00 0.00 31.44 30.70 2ibi n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ibi n GLY 35 N 1.45 -0.17 3.64 0.62 0.00 0.50 -5.01 105.19 106.22 2ibi n GLY 35 Ca 0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2ibi n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ibi s ILE 36 N -2.82 5.33 0.44 -0.61 1.01 -1.26 -5.04 121.20 118.24 2ibi s ILE 36 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 2ibi s ILE 36 Cb 0.00 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 2ibi s ILE 36 CO 0.00 0.31 1.43 -2.84 0.00 0.00 0.00 174.94 173.85 2ibi s PRO 37 N 1.29 3.75 0.29 2.79 0.02 -1.26 -3.98 135.00 137.90 2ibi s PRO 37 Ca 0.07 2.44 0.04 0.00 0.02 0.00 0.00 61.00 63.57 2ibi s PRO 37 Cb -0.14 -2.70 0.73 0.00 0.02 0.00 0.00 34.50 32.41 2ibi s PRO 37 CO 0.07 -0.77 1.71 -1.35 -0.33 0.00 0.00 177.00 176.33 2ibi h PRO 38 N 2.43 0.47 0.00 5.54 0.11 -1.95 -1.25 132.00 137.34 2ibi h PRO 38 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2ibi h PRO 38 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ibi h PRO 38 CO 0.62 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 2ibi n ASP 39 N -4.98 0.00 -0.04 -2.05 3.85 -1.26 -1.70 116.55 110.37 2ibi n ASP 39 Ca 0.22 0.07 0.01 0.00 -0.71 0.00 0.00 54.79 54.38 2ibi n ASP 39 Cb 0.64 -0.29 -0.15 0.00 -1.35 0.00 0.00 41.12 39.97 2ibi n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ibi n GLN 40 N -1.29 0.67 -2.69 0.11 1.13 -0.49 -5.00 117.38 109.83 2ibi n GLN 40 Ca 0.07 -0.07 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 2ibi n GLN 40 Cb 0.13 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 28.87 2ibi n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ibi s GLN 41 N -3.04 4.66 -0.06 -1.09 -0.21 -0.69 -4.49 119.66 114.74 2ibi s GLN 41 Ca -0.08 1.49 0.03 0.00 0.02 0.00 0.00 55.36 56.83 2ibi s GLN 41 Cb 0.10 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.74 2ibi s GLN 41 CO 0.86 0.15 -0.16 1.03 -2.12 0.00 0.00 175.29 175.05 2ibi s ARG 42 N 0.11 1.88 -0.17 2.91 0.52 0.05 -5.00 118.95 119.25 2ibi s ARG 42 Ca 0.48 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2ibi s ARG 42 Cb -0.24 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 33.67 2ibi s ARG 42 CO 0.30 0.15 -0.17 -0.51 0.02 0.00 0.00 175.30 175.10 2ibi s LEU 43 N 0.31 2.35 -0.12 2.53 1.43 -1.26 -1.39 118.68 122.53 2ibi s LEU 43 Ca -0.10 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2ibi s LEU 43 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2ibi s LEU 43 CO 0.04 0.04 -0.10 -0.63 0.23 0.00 0.00 176.35 175.93 2ibi s ILE 44 N 1.07 3.39 -0.11 -0.59 -1.09 0.14 -1.04 121.20 122.96 2ibi s ILE 44 Ca -0.01 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 2ibi s ILE 44 Cb -0.14 -2.43 0.05 0.00 -1.58 0.00 0.00 42.46 38.35 2ibi s ILE 44 CO -0.05 0.53 0.26 0.12 -1.23 0.00 0.00 174.94 174.57 2ibi s PHE 45 N 0.07 -0.35 -1.77 3.97 5.36 -0.27 -0.95 117.98 124.05 2ibi s PHE 45 Ca -0.03 0.82 -0.20 0.00 -0.96 0.00 0.00 56.93 56.56 2ibi s PHE 45 Cb -0.14 0.07 0.18 0.00 -0.34 0.00 0.00 43.02 42.80 2ibi s PHE 45 CO 0.04 -0.23 0.70 0.00 -1.46 0.00 0.00 175.22 174.26 2ibi n ALA 46 N 4.09 -1.26 -0.20 11.12 0.00 -1.26 -0.51 120.51 132.48 2ibi n ALA 46 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2ibi n ALA 46 Cb 0.54 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.94 2ibi n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ibi n GLY 47 N -1.30 2.47 3.73 0.00 0.00 -1.26 -5.00 105.19 103.83 2ibi n GLY 47 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2ibi n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ibi s LYS 48 N -0.04 4.27 -0.06 1.61 1.02 0.33 -5.05 119.74 121.82 2ibi s LYS 48 Ca 0.00 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 2ibi s LYS 48 Cb 0.00 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 2ibi s LYS 48 CO 0.00 0.23 1.03 -1.14 -0.92 0.00 0.00 175.35 174.55 2ibi s GLN 49 N 0.46 4.46 -0.06 1.68 0.74 -1.26 -1.11 119.66 124.56 2ibi s GLN 49 Ca 0.21 1.45 -0.30 0.00 0.05 0.00 0.00 55.36 56.77 2ibi s GLN 49 Cb -0.14 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2ibi s GLN 49 CO 0.07 -0.25 1.04 -0.51 -0.55 0.00 0.00 175.29 175.09 2ibi s LEU 50 N 1.68 4.29 -0.15 3.68 1.02 -0.21 -5.01 118.68 123.99 2ibi s LEU 50 Ca 0.51 1.63 -0.06 0.00 0.02 0.00 0.00 54.13 56.23 2ibi s LEU 50 Cb -0.20 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 2ibi s LEU 50 CO 0.22 -0.43 0.07 -1.61 0.02 0.00 0.00 176.35 174.62 2ibi s GLU 51 N 1.76 3.63 0.45 1.70 2.02 -1.26 -4.69 118.70 122.32 2ibi s GLU 51 Ca 0.51 -0.31 -0.24 0.00 0.02 0.00 0.00 54.97 54.95 2ibi s GLU 51 Cb -0.21 -3.12 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 2ibi s GLU 51 CO 0.22 0.49 1.22 -0.25 0.02 0.00 0.00 175.26 176.96 2ibi n ASP 52 N 2.85 2.26 0.00 -0.19 8.00 -1.26 -2.62 116.55 125.59 2ibi n ASP 52 Ca -0.18 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.38 2ibi n ASP 52 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2ibi n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ibi n GLY 53 N 0.89 0.52 3.70 0.44 0.00 -1.26 -5.01 105.19 104.47 2ibi n GLY 53 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2ibi n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ibi s ARG 54 N -0.83 2.22 0.38 1.61 1.81 -1.08 -5.03 118.95 118.04 2ibi s ARG 54 Ca 0.00 -1.71 0.08 0.00 -1.72 0.00 0.00 55.73 52.38 2ibi s ARG 54 Cb 0.00 -2.03 -0.05 0.00 -0.45 0.00 0.00 34.95 32.42 2ibi s ARG 54 CO 0.00 0.05 0.16 0.95 -0.68 0.00 0.00 175.30 175.77 2ibi s THR 55 N -2.51 2.56 0.33 0.02 -4.23 -1.26 -1.87 115.64 108.67 2ibi s THR 55 Ca 0.38 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2ibi s THR 55 Cb 0.00 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2ibi s THR 55 CO 0.21 -0.08 1.98 -0.07 -0.54 0.00 0.00 174.62 176.12 2ibi h LEU 56 N 1.49 0.82 -0.42 4.79 3.38 -1.34 -2.35 115.31 121.68 2ibi h LEU 56 Ca -0.43 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2ibi h LEU 56 Cb 1.25 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2ibi h LEU 56 CO 0.67 0.57 0.04 -1.28 0.09 0.00 0.00 178.44 178.53 2ibi h SER 57 N 0.95 -0.10 -0.81 -0.43 0.87 -1.58 -1.38 113.55 111.07 2ibi h SER 57 Ca 0.29 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.14 2ibi h SER 57 Cb -0.01 0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 61.95 2ibi h SER 57 CO -0.08 -0.01 0.11 0.44 -0.53 0.00 0.00 176.83 176.75 2ibi h ASP 58 N 0.15 -0.20 0.39 6.23 5.19 -1.72 -0.36 116.42 126.11 2ibi h ASP 58 Ca 0.21 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 2ibi h ASP 58 Cb 0.28 0.31 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2ibi h ASP 58 CO -0.31 -0.17 -0.13 -1.22 -3.12 0.00 0.00 179.24 174.29 2ibi n TYR 59 N -5.29 0.00 -2.55 4.55 4.01 -0.70 -4.92 117.16 112.26 2ibi n TYR 59 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 2ibi n TYR 59 Cb 0.56 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 2ibi n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2ibi n ASN 60 N -0.98 -4.45 -4.62 7.72 4.05 -0.14 -4.97 115.26 111.87 2ibi n ASN 60 Ca 0.13 -0.11 -0.43 0.00 0.45 0.00 0.00 54.58 54.62 2ibi n ASN 60 Cb 0.29 -3.45 -0.02 0.00 1.23 0.00 0.00 39.78 37.83 2ibi n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2ibi s ILE 61 N -2.84 4.23 0.47 -1.44 1.01 -0.81 -5.02 121.20 116.79 2ibi s ILE 61 Ca 0.11 1.33 0.05 0.00 0.00 0.00 0.00 60.65 62.14 2ibi s ILE 61 Cb -0.05 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 38.02 2ibi s ILE 61 CO 0.14 -0.74 0.65 -1.10 0.00 0.00 0.00 174.94 173.89 2ibi s GLN 62 N 4.27 2.71 -0.09 2.79 -1.52 -1.26 -4.72 119.66 121.84 2ibi s GLN 62 Ca 0.51 -1.06 -0.32 0.00 -1.95 0.00 0.00 55.36 52.54 2ibi s GLN 62 Cb -0.11 -2.65 -0.15 0.00 -0.22 0.00 0.00 33.01 29.87 2ibi s GLN 62 CO 0.26 -0.45 0.91 1.17 -0.25 0.00 0.00 175.29 176.94 2ibi n LYS 63 N -2.05 0.00 -0.96 2.91 4.81 -1.26 -2.23 118.16 119.38 2ibi n LYS 63 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2ibi n LYS 63 Cb 0.59 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2ibi n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2ibi n GLU 64 N 1.58 -0.59 -1.01 1.64 1.02 0.13 -4.99 120.64 118.42 2ibi n GLU 64 Ca 0.17 0.15 -0.32 0.00 -0.02 0.00 0.00 57.16 57.14 2ibi n GLU 64 Cb 0.04 -3.65 0.13 0.00 -0.02 0.00 0.00 31.44 27.94 2ibi n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2ibi s SER 65 N -2.14 3.52 -0.13 1.62 0.01 -0.95 -4.70 113.70 110.93 2ibi s SER 65 Ca 0.00 2.23 0.01 0.00 1.31 0.00 0.00 55.95 59.50 2ibi s SER 65 Cb 0.00 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2ibi s SER 65 CO 0.00 -2.71 -0.18 -0.89 0.41 0.00 0.00 173.24 169.87 2ibi s THR 66 N -2.42 2.51 0.20 1.44 2.01 -1.26 -1.19 115.64 116.92 2ibi s THR 66 Ca 0.69 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 2ibi s THR 66 Cb -0.25 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 2ibi s THR 66 CO 0.53 0.53 0.56 -0.76 -0.69 0.00 0.00 174.62 174.80 2ibi s LEU 67 N 0.57 4.24 -0.25 4.42 1.43 0.33 -4.81 118.68 124.61 2ibi s LEU 67 Ca -0.11 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2ibi s LEU 67 Cb -0.16 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2ibi s LEU 67 CO 0.04 0.00 -0.00 -1.00 0.23 0.00 0.00 176.35 175.61 2ibi s HIS 68 N -1.66 3.05 -0.20 0.29 3.76 -0.12 -0.98 115.29 119.43 2ibi s HIS 68 Ca 0.43 -1.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.05 2ibi s HIS 68 Cb -0.13 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2ibi s HIS 68 CO 0.20 -0.59 0.67 -1.17 -0.85 0.00 0.00 174.74 173.00 2ibi s LEU 69 N 1.45 4.14 0.05 0.89 2.96 -0.40 -0.69 118.68 127.09 2ibi s LEU 69 Ca 0.03 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2ibi s LEU 69 Cb -0.16 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 2ibi s LEU 69 CO -0.02 -0.31 -0.10 0.68 -1.32 0.00 0.00 176.35 175.29 2ibi s VAL 70 N 2.02 0.74 0.00 1.68 -7.23 -0.48 -4.54 120.40 112.58 2ibi s VAL 70 Ca 0.30 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2ibi s VAL 70 Cb -0.16 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2ibi s VAL 70 CO 0.10 -0.35 0.00 0.18 -0.31 0.00 0.00 175.10 174.73 2ibi n LEU 71 N 1.35 0.00 -3.90 1.32 4.77 -1.26 -0.77 117.00 118.50 2ibi n LEU 71 Ca -0.22 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 2ibi n LEU 71 Cb 0.55 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 2ibi n LEU 71 CO 0.21 0.00 -0.39 -0.13 -1.33 0.00 0.00 177.39 175.75 2ibi s ARG 72 N 4.59 0.50 -0.64 3.23 0.52 -1.26 -4.84 118.95 121.05 2ibi s ARG 72 Ca 0.00 -0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 2ibi s ARG 72 Cb 0.00 -0.55 0.17 0.00 0.52 0.00 0.00 34.95 35.09 2ibi s ARG 72 CO 0.00 -0.02 0.53 -0.51 0.02 0.00 0.00 175.30 175.32 2ibi s LEU 73 N 0.50 5.97 0.37 2.53 1.43 -1.26 -5.09 118.68 123.14 2ibi s LEU 73 Ca -0.06 -2.42 -0.26 0.00 -1.03 0.00 0.00 54.13 50.36 2ibi s LEU 73 Cb -0.09 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2ibi s LEU 73 CO -0.00 -0.58 1.15 -0.13 0.23 0.00 0.00 176.35 177.02 2ibi s ARG 74 N 0.59 4.20 0.00 1.70 0.52 -1.26 -5.37 118.95 119.33 2ibi s ARG 74 Ca 0.13 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 2ibi s ARG 74 Cb -0.20 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2ibi s ARG 74 CO -0.04 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.51