#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1u s GLN 2 N 0.00 0.05 0.45 2.12 0.74 -1.26 -1.13 119.66 120.64 3h1u s GLN 2 Ca 0.00 0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.75 3h1u s GLN 2 Cb 0.00 -0.19 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 3h1u s GLN 2 CO 0.00 -0.16 0.02 0.96 -0.55 0.00 0.00 175.29 175.56 3h1u s ILE 3 N 1.09 1.45 0.03 -2.34 -4.36 -0.42 0.69 121.20 117.34 3h1u s ILE 3 Ca -0.09 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.38 3h1u s ILE 3 Cb -0.11 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 3h1u s ILE 3 CO -0.05 0.00 -0.22 -0.36 0.24 0.00 0.00 174.94 174.55 3h1u s PHE 4 N -2.86 2.44 -0.14 1.37 0.08 0.95 -1.37 117.98 118.45 3h1u s PHE 4 Ca 0.20 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.93 3h1u s PHE 4 Cb 0.05 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3h1u s PHE 4 CO 0.10 0.16 -0.20 0.08 -0.10 0.00 0.00 175.22 175.26 3h1u s VAL 5 N -0.82 2.23 -0.07 -0.44 1.01 0.12 -0.59 120.40 121.84 3h1u s VAL 5 Ca 0.13 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3h1u s VAL 5 Cb -0.10 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3h1u s VAL 5 CO 0.03 0.54 0.49 -0.75 0.00 0.00 0.00 175.10 175.41 3h1u s LYS 6 N 0.82 4.27 0.06 2.72 2.47 0.19 -2.20 119.74 128.06 3h1u s LYS 6 Ca -0.07 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 3h1u s LYS 6 Cb -0.15 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 3h1u s LYS 6 CO -0.01 0.29 0.18 0.95 0.16 0.00 0.00 175.35 176.92 3h1u s THR 7 N 0.18 5.22 0.00 3.43 -4.23 -1.24 0.60 115.64 119.59 3h1u s THR 7 Ca 0.27 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 3h1u s THR 7 Cb -0.16 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3h1u s THR 7 CO 0.12 0.15 0.77 -0.11 -0.54 0.00 0.00 174.62 175.01 3h1u n LEU 8 N 0.35 0.00 -0.05 4.79 7.94 -1.26 -3.24 117.00 125.54 3h1u n LEU 8 Ca -0.06 0.77 -0.10 0.00 -1.11 0.00 0.00 56.01 55.51 3h1u n LEU 8 Cb 0.51 -0.27 -0.07 0.00 0.53 0.00 0.00 43.42 44.12 3h1u n LEU 8 CO 0.50 -0.27 0.50 0.74 -1.11 0.00 0.00 177.39 177.75 3h1u h THR 9 N 0.00 0.00 0.00 1.96 2.02 -1.97 -3.48 112.91 111.44 3h1u h THR 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h1u h THR 9 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3h1u h THR 9 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3h1u n GLY 10 N -1.29 0.75 0.00 2.16 0.00 -1.20 -5.19 105.19 100.42 3h1u n GLY 10 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3h1u n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h1u n LYS 11 N -0.55 0.00 -3.81 1.61 0.00 -1.26 -4.67 118.16 109.48 3h1u n LYS 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 3h1u n LYS 11 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 3h1u n LYS 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3h1u s THR 12 N -1.91 3.15 0.05 3.15 2.01 -1.26 -3.68 115.64 117.15 3h1u s THR 12 Ca 0.00 -2.25 -0.30 0.00 0.31 0.00 0.00 61.69 59.45 3h1u s THR 12 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3h1u s THR 12 CO 0.00 -0.70 1.02 -0.63 -0.69 0.00 0.00 174.62 173.62 3h1u s ILE 13 N 0.91 4.57 -0.18 1.82 1.01 -0.94 -4.91 121.20 123.47 3h1u s ILE 13 Ca 0.10 1.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.64 3h1u s ILE 13 Cb -0.22 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 3h1u s ILE 13 CO -0.05 0.20 -0.01 -0.89 0.00 0.00 0.00 174.94 174.20 3h1u s THR 14 N 0.67 4.00 -0.10 2.92 2.01 -1.26 0.14 115.64 124.02 3h1u s THR 14 Ca 0.52 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3h1u s THR 14 Cb -0.24 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3h1u s THR 14 CO 0.29 0.45 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.82 3h1u s LEU 15 N 0.74 2.95 -0.22 4.42 1.43 -0.47 -4.98 118.68 122.53 3h1u s LEU 15 Ca -0.00 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 3h1u s LEU 15 Cb -0.14 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3h1u s LEU 15 CO 0.02 0.27 0.37 -0.70 0.23 0.00 0.00 176.35 176.54 3h1u s GLU 16 N -0.23 4.12 0.29 1.70 2.56 -1.26 -1.30 118.70 124.57 3h1u s GLU 16 Ca 0.02 0.11 0.02 0.00 0.00 0.00 0.00 54.97 55.13 3h1u s GLU 16 Cb -0.13 -3.57 -0.03 0.00 2.00 0.00 0.00 34.13 32.40 3h1u s GLU 16 CO 0.03 -0.10 0.28 0.14 -0.56 0.00 0.00 175.26 175.04 3h1u s VAL 17 N 1.51 0.00 0.18 3.70 -7.23 -0.28 -5.00 120.40 113.28 3h1u s VAL 17 Ca 0.17 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 3h1u s VAL 17 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3h1u s VAL 17 CO 0.08 0.00 0.04 -1.61 -0.31 0.00 0.00 175.10 173.30 3h1u s GLU 18 N -3.62 2.53 0.32 4.82 2.02 -1.26 -3.51 118.70 119.99 3h1u s GLU 18 Ca 0.38 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 54.35 3h1u s GLU 18 Cb 0.03 -2.42 0.54 0.00 0.10 0.00 0.00 34.13 32.38 3h1u s GLU 18 CO 0.21 0.46 1.79 -1.00 0.02 0.00 0.00 175.26 176.74 3h1u h PRO 19 N 2.56 0.39 -0.60 0.39 0.13 -1.96 -2.42 132.00 130.50 3h1u h PRO 19 Ca -0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3h1u h PRO 19 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h1u h PRO 19 CO 0.59 0.58 0.00 0.43 -0.23 0.00 0.00 178.00 179.38 3h1u n SER 20 N -4.17 2.39 -4.73 1.44 7.64 -1.26 -2.23 113.62 112.69 3h1u n SER 20 Ca -0.00 -2.22 -0.42 0.00 1.01 0.00 0.00 58.87 57.24 3h1u n SER 20 Cb 0.35 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 3h1u n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3h1u s ASP 21 N -0.62 6.69 0.60 6.43 1.01 -0.91 -4.76 116.67 125.12 3h1u s ASP 21 Ca 0.22 2.56 -0.13 0.00 0.71 0.00 0.00 52.55 55.91 3h1u s ASP 21 Cb 0.14 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3h1u s ASP 21 CO 0.10 -0.71 1.03 0.42 0.21 0.00 0.00 175.17 176.21 3h1u s THR 22 N 0.55 4.49 0.50 -1.27 -4.23 -1.26 -0.79 115.64 113.63 3h1u s THR 22 Ca 0.63 0.93 0.21 0.00 -1.18 0.00 0.00 61.69 62.29 3h1u s THR 22 Cb -0.41 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 69.98 3h1u s THR 22 CO 0.37 -0.94 2.12 0.40 -0.54 0.00 0.00 174.62 176.03 3h1u h ILE 23 N -0.00 0.82 -0.46 2.99 1.08 -1.23 0.52 117.51 121.24 3h1u h ILE 23 Ca -0.45 -0.28 -0.11 0.00 -0.39 0.00 0.00 64.86 63.63 3h1u h ILE 23 Cb 1.19 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 3h1u h ILE 23 CO 0.61 0.07 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.66 3h1u h GLU 24 N 0.00 0.88 -0.64 2.37 5.08 -1.82 -2.22 114.58 118.23 3h1u h GLU 24 Ca -0.00 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3h1u h GLU 24 Cb 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3h1u h GLU 24 CO 0.01 0.97 0.26 -0.91 -1.00 0.00 0.00 179.01 178.34 3h1u h ASN 25 N 0.78 0.89 -0.30 1.42 4.21 -1.24 -1.79 115.58 119.55 3h1u h ASN 25 Ca 0.12 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 3h1u h ASN 25 Cb 0.68 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 3h1u h ASN 25 CO 0.05 0.82 0.13 0.58 -1.29 0.00 0.00 177.43 177.72 3h1u h VAL 26 N 0.91 1.17 -0.74 2.81 2.07 -1.20 -2.07 116.25 119.19 3h1u h VAL 26 Ca 0.21 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.34 3h1u h VAL 26 Cb 0.21 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3h1u h VAL 26 CO -0.02 0.18 0.49 0.11 0.02 0.00 0.00 177.57 178.35 3h1u h LYS 27 N 0.34 0.60 -0.03 1.57 1.57 -1.12 0.17 116.57 119.67 3h1u h LYS 27 Ca 0.10 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3h1u h LYS 27 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3h1u h LYS 27 CO -0.01 0.39 -0.51 0.00 -0.57 0.00 0.00 179.45 178.76 3h1u h ALA 28 N 1.63 1.11 -0.24 3.86 0.00 -0.79 -0.84 119.26 123.99 3h1u h ALA 28 Ca 0.35 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3h1u h ALA 28 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h1u h ALA 28 CO -0.12 0.64 -0.43 0.87 0.00 0.00 0.00 179.25 180.21 3h1u h LYS 29 N 0.05 0.71 -0.52 0.00 1.57 -0.10 -2.95 116.57 115.34 3h1u h LYS 29 Ca -0.00 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3h1u h LYS 29 Cb 0.92 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3h1u h LYS 29 CO 0.07 1.07 0.24 0.82 -0.57 0.00 0.00 179.45 181.08 3h1u h ILE 30 N 0.44 1.20 -0.99 1.86 2.04 -0.77 -2.23 117.51 119.06 3h1u h ILE 30 Ca 0.01 -0.58 0.17 0.00 1.00 0.00 0.00 64.86 65.46 3h1u h ILE 30 Cb 1.03 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 3h1u h ILE 30 CO 0.10 0.23 0.62 -0.61 0.00 0.00 0.00 178.15 178.48 3h1u h GLN 31 N 0.70 0.76 -0.26 2.37 4.15 -1.08 1.28 115.11 123.03 3h1u h GLN 31 Ca 0.18 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3h1u h GLN 31 Cb 0.14 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3h1u h GLN 31 CO -0.02 0.50 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.90 3h1u h ASP 32 N 0.78 0.49 0.68 -0.69 3.32 -1.24 0.47 116.42 120.23 3h1u h ASP 32 Ca 0.54 -0.35 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 3h1u h ASP 32 Cb 0.82 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3h1u h ASP 32 CO -0.32 0.72 -1.00 0.11 -1.72 0.00 0.00 179.24 177.02 3h1u h LYS 33 N 0.25 0.18 -0.07 3.56 1.57 -0.69 -3.36 116.57 118.00 3h1u h LYS 33 Ca 0.07 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3h1u h LYS 33 Cb 0.49 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3h1u h LYS 33 CO 0.02 1.04 0.00 0.39 -0.57 0.00 0.00 179.45 180.33 3h1u n GLU 34 N -3.56 2.01 -1.95 3.15 -0.58 0.43 -4.98 120.64 115.14 3h1u n GLU 34 Ca -0.04 -1.39 -0.09 0.00 -0.42 0.00 0.00 57.16 55.22 3h1u n GLU 34 Cb 0.89 -1.07 -0.02 0.00 -0.57 0.00 0.00 31.44 30.68 3h1u n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1u n GLY 35 N -0.12 0.08 3.63 0.62 0.00 0.17 -4.91 105.19 104.65 3h1u n GLY 35 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3h1u n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1u s ILE 36 N -2.17 5.32 0.35 -0.61 1.01 -1.25 -5.01 121.20 118.85 3h1u s ILE 36 Ca 0.00 0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 3h1u s ILE 36 Cb 0.00 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3h1u s ILE 36 CO 0.00 0.29 1.35 -2.65 0.00 0.00 0.00 174.94 173.93 3h1u n PRO 37 N 4.67 2.30 0.26 2.79 -0.02 -1.26 -4.06 135.00 139.69 3h1u n PRO 37 Ca -0.14 0.81 0.18 0.00 -2.02 0.00 0.00 63.50 62.32 3h1u n PRO 37 Cb 0.52 -2.44 0.85 0.00 -0.02 0.00 0.00 33.50 32.42 3h1u n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h1u h PRO 38 N 2.68 0.00 -0.03 0.52 0.11 -1.95 -1.93 132.00 131.40 3h1u h PRO 38 Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3h1u h PRO 38 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3h1u h PRO 38 CO 0.63 0.00 -0.64 -0.44 -0.21 0.00 0.00 178.00 177.34 3h1u h ASP 39 N 0.00 0.16 -0.55 -2.05 3.32 -1.98 -2.81 116.42 112.51 3h1u h ASP 39 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3h1u h ASP 39 Cb 0.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3h1u h ASP 39 CO 0.00 0.76 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 3h1u n GLN 40 N -3.82 2.52 -3.98 3.56 6.02 -0.74 -4.80 117.38 116.13 3h1u n GLN 40 Ca -0.02 -2.08 -0.35 0.00 -0.01 0.00 0.00 57.00 54.54 3h1u n GLN 40 Cb 0.64 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 3h1u n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h1u s GLN 41 N -1.38 3.32 -0.14 -1.09 -0.21 -1.06 -0.39 119.66 118.70 3h1u s GLN 41 Ca 0.38 -0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.44 3h1u s GLN 41 Cb 0.21 -3.05 0.06 0.00 1.00 0.00 0.00 33.01 31.23 3h1u s GLN 41 CO 0.24 0.71 0.15 0.50 -2.12 0.00 0.00 175.29 174.78 3h1u s ARG 42 N -1.44 0.08 -0.19 2.91 3.52 -0.71 -4.80 118.95 118.32 3h1u s ARG 42 Ca 0.20 0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.97 3h1u s ARG 42 Cb -0.12 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.21 3h1u s ARG 42 CO 0.10 -0.52 0.13 -0.51 -0.81 0.00 0.00 175.30 173.69 3h1u s LEU 43 N 2.25 4.22 -0.14 -0.88 1.43 -1.26 0.02 118.68 124.33 3h1u s LEU 43 Ca 0.04 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3h1u s LEU 43 Cb -0.14 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3h1u s LEU 43 CO -0.08 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.93 3h1u s ILE 44 N 0.19 2.87 -0.22 -0.59 -1.09 0.17 -1.30 121.20 121.23 3h1u s ILE 44 Ca 0.09 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 3h1u s ILE 44 Cb -0.11 -2.21 0.05 0.00 -1.58 0.00 0.00 42.46 38.62 3h1u s ILE 44 CO -0.01 0.52 -0.07 0.12 -1.23 0.00 0.00 174.94 174.27 3h1u s PHE 45 N 0.58 2.44 -1.22 3.97 5.36 0.11 0.18 117.98 129.39 3h1u s PHE 45 Ca -0.08 -1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 54.13 3h1u s PHE 45 Cb -0.16 -1.61 -0.01 0.00 -0.34 0.00 0.00 43.02 40.90 3h1u s PHE 45 CO 0.03 -0.77 0.83 0.00 -1.46 0.00 0.00 175.22 173.86 3h1u n ALA 46 N 4.66 -2.12 0.00 11.12 0.00 -1.26 -1.98 120.51 130.93 3h1u n ALA 46 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3h1u n ALA 46 Cb 0.45 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3h1u n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1u n GLY 47 N -1.39 2.35 3.85 0.00 0.00 -1.26 -4.99 105.19 103.76 3h1u n GLY 47 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3h1u n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1u s LYS 48 N 0.00 3.84 -0.20 1.61 2.20 -0.84 -5.02 119.74 121.34 3h1u s LYS 48 Ca 0.00 0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 56.36 3h1u s LYS 48 Cb 0.00 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 3h1u s LYS 48 CO 0.00 -0.32 0.12 -1.14 -0.36 0.00 0.00 175.35 173.65 3h1u s GLN 49 N -4.34 4.16 0.48 4.03 0.74 -1.26 0.04 119.66 123.51 3h1u s GLN 49 Ca 0.57 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.64 3h1u s GLN 49 Cb -0.10 -3.39 -0.06 0.00 1.10 0.00 0.00 33.01 30.56 3h1u s GLN 49 CO 0.37 0.30 0.86 -0.51 -0.55 0.00 0.00 175.29 175.76 3h1u s LEU 50 N 0.35 3.65 -0.11 3.68 1.43 -0.42 -4.96 118.68 122.30 3h1u s LEU 50 Ca 0.08 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 3h1u s LEU 50 Cb -0.11 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 41.95 3h1u s LEU 50 CO -0.02 -0.55 -0.20 -1.61 0.23 0.00 0.00 176.35 174.20 3h1u s GLU 51 N -4.29 2.73 0.07 1.70 2.02 -1.26 -4.77 118.70 114.89 3h1u s GLU 51 Ca 0.53 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.77 3h1u s GLU 51 Cb -0.10 -2.16 0.20 0.00 0.10 0.00 0.00 34.13 32.17 3h1u s GLU 51 CO 0.38 0.06 0.34 -0.25 0.02 0.00 0.00 175.26 175.81 3h1u n ASP 52 N 3.83 0.00 -0.03 -0.19 9.92 -1.26 -1.49 116.55 127.32 3h1u n ASP 52 Ca -0.20 0.36 -0.17 0.00 -0.53 0.00 0.00 54.79 54.26 3h1u n ASP 52 Cb 0.52 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.79 3h1u n ASP 52 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3h1u h GLY 53 N 0.00 0.81 -1.89 0.44 0.00 -1.96 -3.09 103.07 97.37 3h1u h GLY 53 Ca 0.14 -1.12 -0.49 0.00 0.00 0.00 0.00 47.33 45.86 3h1u h GLY 53 CO -0.19 1.00 0.39 0.50 0.00 0.00 0.00 176.54 178.24 3h1u s ARG 54 N -3.78 3.31 0.35 4.80 0.52 -0.56 -4.71 118.95 118.89 3h1u s ARG 54 Ca -0.11 1.39 0.04 0.00 -0.52 0.00 0.00 55.73 56.54 3h1u s ARG 54 Cb 0.08 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 3h1u s ARG 54 CO 0.88 -0.84 0.51 0.95 0.02 0.00 0.00 175.30 176.83 3h1u s THR 55 N -2.14 4.25 0.41 0.02 -4.23 -1.26 -1.23 115.64 111.47 3h1u s THR 55 Ca 0.68 -0.84 0.19 0.00 -1.18 0.00 0.00 61.69 60.54 3h1u s THR 55 Cb -0.19 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.54 3h1u s THR 55 CO 0.32 -0.24 1.79 -0.07 -0.54 0.00 0.00 174.62 175.87 3h1u h LEU 56 N 0.79 0.42 -0.46 4.79 3.38 -1.03 0.10 115.31 123.30 3h1u h LEU 56 Ca -0.47 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 3h1u h LEU 56 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3h1u h LEU 56 CO 0.55 0.10 -0.66 0.77 0.09 0.00 0.00 178.44 179.29 3h1u h SER 57 N 0.38 0.00 -0.56 -0.43 4.64 -1.67 0.10 113.55 116.02 3h1u h SER 57 Ca 0.57 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 3h1u h SER 57 Cb 1.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.54 3h1u h SER 57 CO -0.26 0.66 0.31 0.44 -0.87 0.00 0.00 176.83 177.12 3h1u h ASP 58 N 0.00 0.71 -0.39 4.97 3.32 -1.11 0.12 116.42 124.05 3h1u h ASP 58 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3h1u h ASP 58 Cb 1.30 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3h1u h ASP 58 CO 0.09 0.58 0.00 -1.22 -1.72 0.00 0.00 179.24 176.97 3h1u n TYR 59 N -4.39 0.52 -3.82 4.55 4.01 -1.16 -4.92 117.16 111.96 3h1u n TYR 59 Ca 0.05 -0.26 -0.25 0.00 -0.16 0.00 0.00 57.90 57.28 3h1u n TYR 59 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 3h1u n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h1u n ASN 60 N 0.67 -2.21 -4.53 7.72 5.15 0.42 -4.95 115.26 117.53 3h1u n ASN 60 Ca 0.14 -0.84 -0.41 0.00 -0.60 0.00 0.00 54.58 52.87 3h1u n ASN 60 Cb 0.34 -3.82 -0.10 0.00 -0.53 0.00 0.00 39.78 35.67 3h1u n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h1u s ILE 61 N -3.59 5.24 0.00 -1.44 1.01 0.34 -5.00 121.20 117.76 3h1u s ILE 61 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3h1u s ILE 61 Cb -0.11 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3h1u s ILE 61 CO 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.71 3h1u n GLN 62 N 5.22 2.35 -1.62 2.79 6.02 -1.26 -4.46 117.38 126.42 3h1u n GLN 62 Ca -0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.57 3h1u n GLN 62 Cb 0.49 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.81 3h1u n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3h1u s LYS 63 N 1.22 2.75 -1.72 -1.09 -2.85 -1.26 -3.74 119.74 113.05 3h1u s LYS 63 Ca 0.00 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 3h1u s LYS 63 Cb 0.00 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.79 3h1u s LYS 63 CO 0.00 -1.19 0.00 0.39 0.10 0.00 0.00 175.35 174.65 3h1u n GLU 64 N -3.17 -1.70 -3.97 1.78 1.02 0.22 -4.96 120.64 109.86 3h1u n GLU 64 Ca 0.07 0.97 -0.33 0.00 -0.02 0.00 0.00 57.16 57.85 3h1u n GLU 64 Cb 0.55 -5.54 -0.06 0.00 -0.02 0.00 0.00 31.44 26.37 3h1u n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3h1u s SER 65 N -2.20 6.14 -0.18 1.62 0.01 -1.25 -4.86 113.70 112.99 3h1u s SER 65 Ca 0.00 0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.49 3h1u s SER 65 Cb 0.00 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 3h1u s SER 65 CO 0.00 0.27 0.01 -0.89 0.41 0.00 0.00 173.24 173.04 3h1u s THR 66 N -1.27 4.22 -0.12 1.44 2.01 -1.26 -0.03 115.64 120.63 3h1u s THR 66 Ca 0.25 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 3h1u s THR 66 Cb -0.12 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3h1u s THR 66 CO 0.17 0.46 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.74 3h1u s LEU 67 N 0.55 3.14 -0.25 4.42 1.02 0.24 -4.53 118.68 123.27 3h1u s LEU 67 Ca -0.00 -0.12 -0.19 0.00 0.02 0.00 0.00 54.13 53.84 3h1u s LEU 67 Cb -0.14 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 3h1u s LEU 67 CO 0.02 0.24 0.57 -1.00 0.02 0.00 0.00 176.35 176.19 3h1u s HIS 68 N -0.05 3.28 -0.11 0.29 3.76 0.48 0.55 115.29 123.49 3h1u s HIS 68 Ca 0.00 0.73 -0.24 0.00 -0.15 0.00 0.00 55.06 55.41 3h1u s HIS 68 Cb -0.13 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.76 3h1u s HIS 68 CO 0.03 -0.29 0.74 -1.17 -0.85 0.00 0.00 174.74 173.20 3h1u s LEU 69 N 2.35 4.26 -0.11 0.89 2.96 0.20 0.42 118.68 129.64 3h1u s LEU 69 Ca 0.24 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.29 3h1u s LEU 69 Cb -0.16 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.45 3h1u s LEU 69 CO 0.09 -0.22 0.03 -0.69 -1.32 0.00 0.00 176.35 174.24 3h1u s VAL 70 N 1.30 0.28 0.60 1.68 1.01 0.10 -4.00 120.40 121.38 3h1u s VAL 70 Ca 0.37 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 3h1u s VAL 70 Cb -0.17 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3h1u s VAL 70 CO 0.16 0.04 1.20 0.18 0.00 0.00 0.00 175.10 176.69 3h1u n LEU 71 N 5.16 5.11 -3.91 3.92 4.32 -1.26 -1.74 117.00 128.59 3h1u n LEU 71 Ca -0.07 0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 56.48 3h1u n LEU 71 Cb 0.49 -1.51 -0.15 0.00 -1.62 0.00 0.00 43.42 40.63 3h1u n LEU 71 CO 0.10 -1.17 -0.38 -0.60 -1.22 0.00 0.00 177.39 174.13 3h1u s ARG 72 N -3.02 1.37 0.38 3.23 3.52 0.47 -4.85 118.95 120.05 3h1u s ARG 72 Ca 0.77 -1.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.19 3h1u s ARG 72 Cb -0.41 -2.60 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 3h1u s ARG 72 CO 0.45 -0.77 0.05 -0.51 -0.81 0.00 0.00 175.30 173.71 3h1u s LEU 73 N 1.32 2.35 -0.11 -0.88 2.01 -1.26 -4.56 118.68 117.55 3h1u s LEU 73 Ca 0.02 -1.44 -0.33 0.00 0.01 0.00 0.00 54.13 52.39 3h1u s LEU 73 Cb -0.19 -0.52 0.13 0.00 0.01 0.00 0.00 46.19 45.62 3h1u s LEU 73 CO -0.11 -0.63 1.17 0.00 1.01 0.00 0.00 176.35 177.79 3h1u s ARG 74 N -3.82 0.44 0.00 1.70 1.70 -1.26 -5.22 118.95 112.49 3h1u s ARG 74 Ca 0.31 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 3h1u s ARG 74 Cb 0.08 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3h1u s ARG 74 CO 0.15 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.58