#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7p s GLN 2 N 0.00 2.09 0.16 2.12 -0.21 -1.26 -0.60 119.66 121.95 3h7p s GLN 2 Ca 0.00 -0.97 0.05 0.00 0.02 0.00 0.00 55.36 54.46 3h7p s GLN 2 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 3h7p s GLN 2 CO 0.00 0.54 -0.11 0.96 -2.12 0.00 0.00 175.29 174.56 3h7p s ILE 3 N -0.90 1.28 -0.08 1.08 -4.36 -0.32 0.36 121.20 118.26 3h7p s ILE 3 Ca 0.14 -2.08 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 3h7p s ILE 3 Cb -0.10 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 3h7p s ILE 3 CO 0.05 -0.71 0.07 -0.36 0.24 0.00 0.00 174.94 174.22 3h7p s PHE 4 N -3.24 3.35 -0.22 1.37 0.08 -0.20 -0.74 117.98 118.37 3h7p s PHE 4 Ca 0.18 0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.55 3h7p s PHE 4 Cb 0.02 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 3h7p s PHE 4 CO 0.02 0.58 -0.07 0.08 -0.10 0.00 0.00 175.22 175.73 3h7p s VAL 5 N -1.00 1.58 -0.04 -0.44 1.01 0.71 -0.09 120.40 122.13 3h7p s VAL 5 Ca 0.16 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3h7p s VAL 5 Cb -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3h7p s VAL 5 CO 0.05 0.00 0.56 -0.54 0.00 0.00 0.00 175.10 175.18 3h7p s LYS 6 N 1.39 4.31 0.51 2.72 1.02 0.07 -0.72 119.74 129.04 3h7p s LYS 6 Ca -0.04 0.65 0.03 0.00 0.02 0.00 0.00 55.97 56.63 3h7p s LYS 6 Cb -0.18 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 33.86 3h7p s LYS 6 CO -0.07 0.30 0.70 0.25 -0.92 0.00 0.00 175.35 175.61 3h7p n THR 7 N 3.03 0.00 -0.14 2.17 -2.24 0.07 -1.05 114.28 116.12 3h7p n THR 7 Ca -0.07 -1.33 -0.05 0.00 -2.27 0.00 0.00 64.05 60.33 3h7p n THR 7 Cb 0.51 -0.83 0.13 0.00 -2.10 0.00 0.00 70.33 68.04 3h7p n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3h7p h LEU 8 N 0.00 0.83 0.00 3.22 5.85 -1.89 -3.02 115.31 120.31 3h7p h LEU 8 Ca -0.23 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3h7p h LEU 8 Cb 0.95 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3h7p h LEU 8 CO 0.28 0.89 0.00 0.35 -0.34 0.00 0.00 178.44 179.62 3h7p n THR 9 N -4.21 0.11 -0.11 1.05 -2.24 -1.26 -4.83 114.28 102.79 3h7p n THR 9 Ca 0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3h7p n THR 9 Cb 0.30 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3h7p n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h7p n GLY 10 N 0.49 0.94 3.73 3.38 0.00 -1.14 -5.03 105.19 107.56 3h7p n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h7p n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h7p s LYS 11 N -0.65 4.16 -0.21 1.61 2.20 -1.26 -4.75 119.74 120.84 3h7p s LYS 11 Ca 0.00 2.51 -0.06 0.00 -0.36 0.00 0.00 55.97 58.06 3h7p s LYS 11 Cb 0.00 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 3h7p s LYS 11 CO 0.00 -0.64 0.03 0.99 -0.36 0.00 0.00 175.35 175.37 3h7p s THR 12 N 0.59 4.18 -0.08 3.43 2.01 -1.26 -0.75 115.64 123.76 3h7p s THR 12 Ca 0.68 -0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 3h7p s THR 12 Cb -0.47 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3h7p s THR 12 CO 0.39 0.41 0.06 -0.63 -0.69 0.00 0.00 174.62 174.17 3h7p s ILE 13 N 1.04 4.79 -0.18 1.82 1.01 0.11 -4.94 121.20 124.84 3h7p s ILE 13 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3h7p s ILE 13 Cb -0.14 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 3h7p s ILE 13 CO 0.02 0.55 -0.10 -0.89 0.00 0.00 0.00 174.94 174.52 3h7p s THR 14 N -1.01 3.00 -0.04 2.92 2.01 -1.26 -0.21 115.64 121.06 3h7p s THR 14 Ca 0.16 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3h7p s THR 14 Cb -0.12 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 3h7p s THR 14 CO 0.06 0.48 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.54 3h7p s LEU 15 N 1.06 2.61 -0.22 4.42 1.43 0.08 -4.97 118.68 123.09 3h7p s LEU 15 Ca -0.00 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3h7p s LEU 15 Cb -0.15 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3h7p s LEU 15 CO -0.02 0.34 0.58 -0.70 0.23 0.00 0.00 176.35 176.78 3h7p s GLU 16 N -0.73 4.16 0.30 1.70 2.56 -1.26 -1.17 118.70 124.25 3h7p s GLU 16 Ca 0.11 0.50 0.05 0.00 0.00 0.00 0.00 54.97 55.63 3h7p s GLU 16 Cb -0.10 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.39 3h7p s GLU 16 CO 0.00 -0.28 0.24 0.14 -0.56 0.00 0.00 175.26 174.80 3h7p s VAL 17 N 2.07 0.03 0.20 3.70 -7.23 0.23 -5.01 120.40 114.39 3h7p s VAL 17 Ca 0.26 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3h7p s VAL 17 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3h7p s VAL 17 CO 0.09 0.00 -0.23 -1.61 -0.31 0.00 0.00 175.10 173.04 3h7p s GLU 18 N -3.63 1.56 0.51 4.82 2.02 -1.26 -3.69 118.70 119.03 3h7p s GLU 18 Ca 0.40 -1.54 0.17 0.00 0.02 0.00 0.00 54.97 54.01 3h7p s GLU 18 Cb 0.04 -1.85 1.26 0.00 0.10 0.00 0.00 34.13 33.67 3h7p s GLU 18 CO 0.23 0.39 2.12 -1.35 0.02 0.00 0.00 175.26 176.68 3h7p h PRO 19 N 3.08 0.04 -0.26 0.39 0.11 -1.96 -0.90 132.00 132.49 3h7p h PRO 19 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h7p h PRO 19 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h7p h PRO 19 CO 0.50 0.03 0.00 0.43 -0.21 0.00 0.00 178.00 178.74 3h7p n SER 20 N -4.51 2.46 -4.74 -2.05 7.64 -1.26 -0.81 113.62 110.35 3h7p n SER 20 Ca -0.01 -1.85 -0.42 0.00 1.01 0.00 0.00 58.87 57.61 3h7p n SER 20 Cb 0.17 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3h7p n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h7p n ASP 21 N 0.85 3.62 -4.80 6.43 8.00 -0.35 -4.73 116.55 125.58 3h7p n ASP 21 Ca 0.17 1.17 -0.31 0.00 0.71 0.00 0.00 54.79 56.53 3h7p n ASP 21 Cb 0.45 -1.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.04 3h7p n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h7p s THR 22 N -0.29 3.72 0.37 -3.53 -4.23 -1.26 -1.31 115.64 109.11 3h7p s THR 22 Ca 0.62 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.78 3h7p s THR 22 Cb -0.52 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.34 3h7p s THR 22 CO 0.52 -0.69 1.99 0.40 -0.54 0.00 0.00 174.62 176.31 3h7p h ILE 23 N -0.69 1.15 -0.53 2.99 1.08 -0.76 -1.61 117.51 119.13 3h7p h ILE 23 Ca -0.44 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 63.71 3h7p h ILE 23 Cb 1.22 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 3h7p h ILE 23 CO 0.55 0.16 0.21 -0.08 -0.69 0.00 0.00 178.15 178.30 3h7p h GLU 24 N 0.61 0.38 -0.99 2.37 4.57 -1.03 -0.04 114.58 120.45 3h7p h GLU 24 Ca 0.16 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3h7p h GLU 24 Cb 0.05 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 3h7p h GLU 24 CO -0.02 0.25 0.66 -0.91 -1.18 0.00 0.00 179.01 177.81 3h7p h ASN 25 N 0.40 1.13 -0.60 1.04 4.21 -1.62 -1.23 115.58 118.90 3h7p h ASN 25 Ca 0.26 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.69 3h7p h ASN 25 Cb 0.27 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 3h7p h ASN 25 CO -0.25 0.81 0.16 0.58 -1.29 0.00 0.00 177.43 177.44 3h7p h VAL 26 N 1.33 1.25 -0.50 2.81 2.07 -0.52 -1.71 116.25 120.98 3h7p h VAL 26 Ca 0.37 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3h7p h VAL 26 Cb -0.14 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3h7p h VAL 26 CO -0.08 0.33 0.16 0.11 0.02 0.00 0.00 177.57 178.11 3h7p h LYS 27 N 0.87 0.74 -0.48 1.57 1.57 -0.66 -0.40 116.57 119.77 3h7p h LYS 27 Ca 0.19 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3h7p h LYS 27 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3h7p h LYS 27 CO -0.00 0.64 -0.02 0.00 -0.57 0.00 0.00 179.45 179.50 3h7p h ALA 28 N 1.45 1.07 -0.38 3.86 0.00 -0.89 0.45 119.26 124.82 3h7p h ALA 28 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3h7p h ALA 28 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h7p h ALA 28 CO -0.01 0.58 -0.26 0.87 0.00 0.00 0.00 179.25 180.43 3h7p h LYS 29 N 0.75 0.77 -0.66 0.00 1.57 -0.40 -1.97 116.57 116.65 3h7p h LYS 29 Ca 0.14 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 3h7p h LYS 29 Cb 0.48 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3h7p h LYS 29 CO 0.02 0.95 0.13 0.82 -0.57 0.00 0.00 179.45 180.80 3h7p h ILE 30 N 0.67 1.26 -0.95 1.86 2.04 -0.82 -2.44 117.51 119.13 3h7p h ILE 30 Ca 0.08 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.98 3h7p h ILE 30 Cb 0.78 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3h7p h ILE 30 CO 0.06 0.37 0.62 -0.61 0.00 0.00 0.00 178.15 178.60 3h7p h GLN 31 N 1.00 1.20 -0.28 2.37 4.15 -0.68 0.21 115.11 123.08 3h7p h GLN 31 Ca 0.20 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3h7p h GLN 31 Cb 0.40 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3h7p h GLN 31 CO 0.01 0.79 0.11 -0.44 -1.93 0.00 0.00 178.83 177.37 3h7p h ASP 32 N 1.23 0.39 -0.00 -0.69 3.32 -1.02 0.59 116.42 120.24 3h7p h ASP 32 Ca 0.36 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3h7p h ASP 32 Cb -0.06 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.39 3h7p h ASP 32 CO -0.10 0.46 -0.40 0.11 -1.72 0.00 0.00 179.24 177.59 3h7p h LYS 33 N 0.31 0.27 0.00 3.56 1.57 -1.30 -3.40 116.57 117.58 3h7p h LYS 33 Ca 0.09 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3h7p h LYS 33 Cb 0.19 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3h7p h LYS 33 CO -0.01 1.00 -0.90 0.39 -0.57 0.00 0.00 179.45 179.36 3h7p n GLU 34 N -4.38 1.70 -1.00 3.15 -0.58 0.72 -5.00 120.64 115.24 3h7p n GLU 34 Ca -0.10 -0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3h7p n GLU 34 Cb 0.58 -1.25 -0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3h7p n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7p n GLY 35 N 1.41 0.47 3.66 0.62 0.00 0.20 -5.00 105.19 106.55 3h7p n GLY 35 Ca 0.02 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3h7p n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h7p s ILE 36 N -1.94 5.15 0.37 -0.61 1.01 -1.26 -5.00 121.20 118.92 3h7p s ILE 36 Ca 0.00 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.20 3h7p s ILE 36 Cb 0.00 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 3h7p s ILE 36 CO 0.00 0.21 1.48 -2.84 0.00 0.00 0.00 174.94 173.79 3h7p s PRO 37 N 1.49 4.13 0.51 2.79 0.02 -1.26 -3.99 135.00 138.69 3h7p s PRO 37 Ca 0.22 2.54 0.23 0.00 0.02 0.00 0.00 61.00 64.01 3h7p s PRO 37 Cb -0.15 -2.98 1.33 0.00 0.02 0.00 0.00 34.50 32.72 3h7p s PRO 37 CO 0.09 -0.51 2.00 -1.35 -0.33 0.00 0.00 177.00 176.90 3h7p h PRO 38 N 3.15 0.07 0.00 5.54 0.11 -1.96 -1.56 132.00 137.34 3h7p h PRO 38 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h7p h PRO 38 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h7p h PRO 38 CO 0.65 0.04 0.00 0.38 -0.21 0.00 0.00 178.00 178.87 3h7p h ASP 39 N 0.07 0.00 -0.10 -2.05 2.03 -1.98 -1.64 116.42 112.75 3h7p h ASP 39 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 3h7p h ASP 39 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 3h7p h ASP 39 CO -0.02 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.19 3h7p n GLN 40 N -2.88 2.07 -3.76 4.15 6.02 -0.59 -4.89 117.38 117.50 3h7p n GLN 40 Ca 0.00 -1.57 -0.37 0.00 -0.01 0.00 0.00 57.00 55.05 3h7p n GLN 40 Cb 0.23 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 3h7p n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h7p s GLN 41 N -1.89 3.71 -0.12 -1.09 -0.21 -0.62 -0.81 119.66 118.63 3h7p s GLN 41 Ca 0.33 -0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.71 3h7p s GLN 41 Cb 0.20 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.97 3h7p s GLN 41 CO 0.31 0.64 -0.22 1.03 -2.12 0.00 0.00 175.29 174.93 3h7p s ARG 42 N -0.68 2.87 -0.12 2.91 1.81 0.93 -4.90 118.95 121.77 3h7p s ARG 42 Ca 0.15 -0.81 -0.04 0.00 -1.72 0.00 0.00 55.73 53.32 3h7p s ARG 42 Cb -0.13 -2.26 -0.03 0.00 -0.45 0.00 0.00 34.95 32.08 3h7p s ARG 42 CO 0.05 0.06 0.01 -0.51 -0.68 0.00 0.00 175.30 174.23 3h7p s LEU 43 N 0.62 3.58 -0.03 2.53 1.43 -1.26 -0.19 118.68 125.36 3h7p s LEU 43 Ca -0.12 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3h7p s LEU 43 Cb -0.17 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3h7p s LEU 43 CO 0.03 0.29 -0.19 -0.63 0.23 0.00 0.00 176.35 176.08 3h7p s ILE 44 N -0.36 1.53 -0.10 -0.59 1.09 -0.21 -0.38 121.20 122.18 3h7p s ILE 44 Ca 0.07 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 3h7p s ILE 44 Cb -0.12 -1.29 0.02 0.00 -1.06 0.00 0.00 42.46 40.01 3h7p s ILE 44 CO 0.02 0.44 -0.08 0.12 -0.10 0.00 0.00 174.94 175.33 3h7p s PHE 45 N -0.17 1.42 -1.57 3.97 5.36 0.30 -0.80 117.98 126.50 3h7p s PHE 45 Ca 0.00 -0.66 -0.13 0.00 -0.96 0.00 0.00 56.93 55.19 3h7p s PHE 45 Cb -0.10 -1.16 0.10 0.00 -0.34 0.00 0.00 43.02 41.52 3h7p s PHE 45 CO 0.01 -0.44 0.78 0.00 -1.46 0.00 0.00 175.22 174.11 3h7p n ALA 46 N 4.65 -1.45 -0.11 11.12 0.00 -1.26 -1.60 120.51 131.86 3h7p n ALA 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h7p n ALA 46 Cb 0.50 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.58 3h7p n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7p n GLY 47 N -1.62 1.76 3.58 0.00 0.00 -1.26 -5.03 105.19 102.63 3h7p n GLY 47 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3h7p n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h7p s LYS 48 N -0.35 3.69 -0.00 1.61 2.20 -0.63 -5.05 119.74 121.21 3h7p s LYS 48 Ca 0.00 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 3h7p s LYS 48 Cb 0.00 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 3h7p s LYS 48 CO 0.00 0.33 1.22 -1.14 -0.36 0.00 0.00 175.35 175.39 3h7p s GLN 49 N 0.17 4.38 0.16 4.03 0.74 -1.26 -0.54 119.66 127.34 3h7p s GLN 49 Ca 0.01 1.74 -0.16 0.00 0.05 0.00 0.00 55.36 57.00 3h7p s GLN 49 Cb -0.13 -3.48 -0.07 0.00 1.10 0.00 0.00 33.01 30.43 3h7p s GLN 49 CO 0.02 -0.38 0.59 -0.51 -0.55 0.00 0.00 175.29 174.46 3h7p s LEU 50 N 1.77 4.34 -0.12 3.68 1.43 0.48 -4.98 118.68 125.29 3h7p s LEU 50 Ca 0.58 1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 54.76 3h7p s LEU 50 Cb -0.27 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3h7p s LEU 50 CO 0.25 0.09 0.15 -1.61 0.23 0.00 0.00 176.35 175.46 3h7p s GLU 51 N -1.95 3.51 0.49 1.70 2.02 -1.26 -4.68 118.70 118.52 3h7p s GLU 51 Ca 0.39 -0.11 0.23 0.00 0.02 0.00 0.00 54.97 55.50 3h7p s GLU 51 Cb -0.15 -3.21 1.25 0.00 0.10 0.00 0.00 34.13 32.12 3h7p s GLU 51 CO 0.20 0.74 2.01 -0.44 0.02 0.00 0.00 175.26 177.79 3h7p h ASP 52 N 5.08 0.00 0.67 -0.19 5.19 -1.98 -1.88 116.42 123.31 3h7p h ASP 52 Ca -0.54 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 3h7p h ASP 52 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3h7p h ASP 52 CO 0.59 0.17 -0.34 0.61 -3.12 0.00 0.00 179.24 177.15 3h7p n GLY 53 N -0.66 -1.33 3.94 2.75 0.00 -1.26 -0.46 105.19 108.16 3h7p n GLY 53 Ca -0.02 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3h7p n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7p s ARG 54 N -3.00 2.84 0.32 1.61 0.52 -0.71 -4.83 118.95 115.70 3h7p s ARG 54 Ca 0.12 -0.28 0.07 0.00 -0.52 0.00 0.00 55.73 55.12 3h7p s ARG 54 Cb 0.18 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 3h7p s ARG 54 CO 0.64 -0.63 0.27 0.95 0.02 0.00 0.00 175.30 176.55 3h7p s THR 55 N -2.86 3.61 0.20 0.02 -4.23 -1.26 -0.61 115.64 110.52 3h7p s THR 55 Ca 0.53 -1.41 -0.10 0.00 -1.18 0.00 0.00 61.69 59.53 3h7p s THR 55 Cb -0.10 -3.19 0.13 0.00 1.34 0.00 0.00 72.50 70.68 3h7p s THR 55 CO 0.42 -0.20 1.83 -0.07 -0.54 0.00 0.00 174.62 176.06 3h7p h LEU 56 N 1.31 0.63 -1.23 4.79 3.38 -1.24 -1.55 115.31 121.40 3h7p h LEU 56 Ca -0.45 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 3h7p h LEU 56 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3h7p h LEU 56 CO 0.59 0.43 0.04 0.77 0.09 0.00 0.00 178.44 180.35 3h7p h SER 57 N 0.76 0.53 -0.89 -0.43 4.64 -1.18 -0.57 113.55 116.40 3h7p h SER 57 Ca 0.28 -0.09 0.21 0.00 -0.47 0.00 0.00 61.79 61.71 3h7p h SER 57 Cb 0.08 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 3h7p h SER 57 CO -0.13 0.57 0.59 0.44 -0.87 0.00 0.00 176.83 177.44 3h7p h ASP 58 N 0.55 0.36 -0.51 4.97 3.32 -1.57 -0.97 116.42 122.56 3h7p h ASP 58 Ca 0.12 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h7p h ASP 58 Cb 0.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3h7p h ASP 58 CO 0.01 0.14 0.00 -1.22 -1.72 0.00 0.00 179.24 176.45 3h7p n TYR 59 N -4.48 0.67 -3.21 4.55 4.01 -0.49 -4.94 117.16 113.27 3h7p n TYR 59 Ca 0.19 -0.35 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 3h7p n TYR 59 Cb 0.72 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.79 3h7p n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7p n ASN 60 N 1.53 -6.03 -4.67 7.72 5.15 -0.37 -4.96 115.26 113.63 3h7p n ASN 60 Ca 0.21 -0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 53.40 3h7p n ASN 60 Cb 0.61 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 34.98 3h7p n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7p s ILE 61 N -3.21 4.86 0.49 -1.44 1.01 -0.34 -5.01 121.20 117.56 3h7p s ILE 61 Ca 0.39 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.73 3h7p s ILE 61 Cb -0.18 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 3h7p s ILE 61 CO 0.48 -0.00 0.12 -1.10 0.00 0.00 0.00 174.94 174.44 3h7p s GLN 62 N 2.32 2.19 0.10 2.79 -1.52 -1.26 -4.41 119.66 119.87 3h7p s GLN 62 Ca 0.38 -2.21 -0.36 0.00 -1.95 0.00 0.00 55.36 51.22 3h7p s GLN 62 Cb -0.16 -1.74 -0.16 0.00 -0.22 0.00 0.00 33.01 30.73 3h7p s GLN 62 CO 0.11 -0.35 1.39 -2.13 -0.25 0.00 0.00 175.29 174.06 3h7p n ARG 63 N -1.34 1.36 -0.91 2.91 0.63 -1.26 -1.08 116.66 116.96 3h7p n ARG 63 Ca -0.11 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3h7p n ARG 63 Cb 0.66 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.41 3h7p n ARG 63 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3h7p n GLU 64 N 2.70 -0.46 -1.66 -0.14 1.02 0.16 -4.98 120.64 117.27 3h7p n GLU 64 Ca 0.18 0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 57.09 3h7p n GLU 64 Cb 0.21 -3.59 0.07 0.00 -0.02 0.00 0.00 31.44 28.11 3h7p n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3h7p s SER 65 N -2.26 4.59 -0.16 1.62 0.01 -0.24 -4.71 113.70 112.56 3h7p s SER 65 Ca 0.00 2.37 -0.00 0.00 1.31 0.00 0.00 55.95 59.63 3h7p s SER 65 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3h7p s SER 65 CO 0.00 -2.00 -0.14 -0.89 0.41 0.00 0.00 173.24 170.62 3h7p s THR 66 N -1.82 2.76 0.15 1.44 2.01 -1.26 -1.03 115.64 117.88 3h7p s THR 66 Ca 0.76 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3h7p s THR 66 Cb -0.30 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3h7p s THR 66 CO 0.41 0.51 0.15 -0.76 -0.69 0.00 0.00 174.62 174.24 3h7p s LEU 67 N 0.79 3.88 -0.17 4.42 1.02 0.87 -4.58 118.68 124.92 3h7p s LEU 67 Ca -0.05 -0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 3h7p s LEU 67 Cb -0.15 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.54 3h7p s LEU 67 CO 0.00 0.08 -0.05 -1.00 0.02 0.00 0.00 176.35 175.41 3h7p s HIS 68 N -1.69 2.97 -0.32 0.29 3.76 0.02 -0.75 115.29 119.57 3h7p s HIS 68 Ca 0.31 -0.51 -0.16 0.00 -0.15 0.00 0.00 55.06 54.56 3h7p s HIS 68 Cb -0.11 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.59 3h7p s HIS 68 CO 0.24 -0.19 0.41 -1.17 -0.85 0.00 0.00 174.74 173.18 3h7p s LEU 69 N 0.66 4.28 -0.13 0.89 2.96 -0.22 -1.05 118.68 126.08 3h7p s LEU 69 Ca -0.03 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3h7p s LEU 69 Cb -0.15 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3h7p s LEU 69 CO 0.02 -0.33 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 3h7p s VAL 70 N 2.15 3.91 -0.08 1.68 1.01 0.74 -4.08 120.40 125.73 3h7p s VAL 70 Ca 0.15 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 3h7p s VAL 70 Cb -0.16 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3h7p s VAL 70 CO 0.12 0.52 0.30 -0.76 0.00 0.00 0.00 175.10 175.28 3h7p s LEU 71 N 0.04 4.38 -0.24 3.92 1.43 -1.26 -0.05 118.68 126.90 3h7p s LEU 71 Ca 0.00 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 3h7p s LEU 71 Cb -0.13 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3h7p s LEU 71 CO 0.03 0.28 1.50 -0.60 0.23 0.00 0.00 176.35 177.78 3h7p s ARG 72 N -0.60 3.85 -0.52 1.70 3.52 0.00 -4.92 118.95 121.98 3h7p s ARG 72 Ca 0.19 1.53 -0.41 0.00 -0.13 0.00 0.00 55.73 56.91 3h7p s ARG 72 Cb -0.14 -3.97 -0.19 0.00 -1.56 0.00 0.00 34.95 29.09 3h7p s ARG 72 CO 0.08 -1.21 2.10 1.28 -0.81 0.00 0.00 175.30 176.74 3h7p n LEU 73 N 8.09 0.68 -4.56 -0.88 4.32 -1.26 -4.74 117.00 118.66 3h7p n LEU 73 Ca 0.17 0.61 -0.25 0.00 -0.02 0.00 0.00 56.01 56.52 3h7p n LEU 73 Cb 0.46 -0.87 -0.05 0.00 -1.62 0.00 0.00 43.42 41.34 3h7p n LEU 73 CO 0.64 -0.73 1.56 -0.60 -1.22 0.00 0.00 177.39 177.03 3h7p s ARG 74 N 6.03 1.95 0.00 3.23 3.52 -1.26 -5.17 118.95 127.25 3h7p s ARG 74 Ca 1.17 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 3h7p s ARG 74 Cb -1.42 -4.71 0.00 0.00 -1.56 0.00 0.00 34.95 27.26 3h7p s ARG 74 CO 0.62 -3.79 0.00 0.41 -0.81 0.00 0.00 175.30 171.73