#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 0.45 0.32 2.12 0.74 -1.26 -3.16 119.66 118.86 3h1u s GLN 2 Ca 0.00 0.82 0.07 0.00 0.05 0.00 0.00 55.36 56.29 3h1u s GLN 2 Cb 0.00 0.46 -0.02 0.00 1.10 0.00 0.00 33.01 34.55 3h1u s GLN 2 CO 0.00 -0.46 0.40 0.96 -0.55 0.00 0.00 175.29 175.64 3h1u s ILE 3 N 2.88 4.16 0.11 -2.34 -4.36 -0.76 0.95 121.20 121.84 3h1u s ILE 3 Ca 0.13 -1.09 0.07 0.00 -0.26 0.00 0.00 60.65 59.50 3h1u s ILE 3 Cb -0.13 -3.43 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 3h1u s ILE 3 CO -0.18 -0.20 -0.10 -0.36 0.24 0.00 0.00 174.94 174.34 3h1u s PHE 4 N -2.17 2.73 -0.12 1.37 0.08 0.37 -1.00 117.98 119.23 3h1u s PHE 4 Ca 0.42 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 3h1u s PHE 4 Cb -0.09 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3h1u s PHE 4 CO 0.30 0.43 -0.03 0.08 -0.10 0.00 0.00 175.22 175.90 3h1u s VAL 5 N -1.24 0.73 -0.76 -0.44 1.01 -0.29 0.16 120.40 119.56 3h1u s VAL 5 Ca 0.22 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3h1u s VAL 5 Cb -0.11 -0.91 0.10 0.00 0.00 0.00 0.00 36.38 35.46 3h1u s VAL 5 CO 0.14 0.19 1.01 -0.75 0.00 0.00 0.00 175.10 175.68 3h1u s LYS 6 N 1.81 3.29 0.00 2.72 2.47 0.16 0.40 119.74 130.58 3h1u s LYS 6 Ca 0.03 -1.22 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 3h1u s LYS 6 Cb -0.14 -4.50 0.00 0.00 -1.46 0.00 0.00 37.83 31.73 3h1u s LYS 6 CO -0.07 -1.78 0.00 0.25 0.16 0.00 0.00 175.35 173.91 3h1u n THR 7 N 5.75 0.00 1.21 3.43 -2.24 -0.57 -2.04 114.28 119.82 3h1u n THR 7 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3h1u n THR 7 Cb 0.47 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.05 3h1u n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h1u n LEU 8 N 0.00 1.00 0.04 3.22 4.77 -1.26 -3.65 117.00 121.12 3h1u n LEU 8 Ca 0.00 -0.25 0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3h1u n LEU 8 Cb 0.00 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 3h1u n LEU 8 CO 0.00 0.19 0.12 0.35 -1.33 0.00 0.00 177.39 176.73 3h1u n THR 9 N -0.72 0.25 0.00 -5.08 -2.24 -1.26 -4.95 114.28 100.28 3h1u n THR 9 Ca 0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3h1u n THR 9 Cb 0.35 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3h1u n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1u n GLY 10 N 1.35 3.20 3.88 3.38 0.00 -1.24 -5.06 105.19 110.70 3h1u n GLY 10 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3h1u n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1u s LYS 11 N -0.71 0.13 -0.01 1.61 -0.14 -1.26 -4.80 119.74 114.56 3h1u s LYS 11 Ca 0.00 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.17 3h1u s LYS 11 Cb 0.00 -1.79 0.01 0.00 -1.68 0.00 0.00 37.83 34.37 3h1u s LYS 11 CO 0.00 -2.76 0.01 0.99 -0.76 0.00 0.00 175.35 172.84 3h1u s THR 12 N -3.80 -0.02 0.51 2.17 2.01 -1.26 -1.51 115.64 113.75 3h1u s THR 12 Ca 0.75 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.90 3h1u s THR 12 Cb -0.03 -0.04 0.02 0.00 0.01 0.00 0.00 72.50 72.46 3h1u s THR 12 CO 0.54 0.04 0.42 0.27 -0.69 0.00 0.00 174.62 175.20 3h1u s ILE 13 N 0.43 1.99 -0.02 1.82 -4.36 0.16 -4.89 121.20 116.33 3h1u s ILE 13 Ca -0.04 -1.42 0.07 0.00 -0.26 0.00 0.00 60.65 59.01 3h1u s ILE 13 Cb -0.05 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 3h1u s ILE 13 CO -0.01 0.00 -0.25 -0.89 0.24 0.00 0.00 174.94 174.03 3h1u s THR 14 N -2.68 1.95 -0.05 8.37 2.01 -1.26 -1.14 115.64 122.84 3h1u s THR 14 Ca 0.41 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3h1u s THR 14 Cb -0.02 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3h1u s THR 14 CO 0.25 0.55 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.89 3h1u s LEU 15 N -0.55 1.49 0.03 4.42 1.43 -0.17 -4.98 118.68 120.34 3h1u s LEU 15 Ca 0.09 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 3h1u s LEU 15 Cb -0.10 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 3h1u s LEU 15 CO -0.01 -0.01 0.88 -0.70 0.23 0.00 0.00 176.35 176.75 3h1u s GLU 16 N 0.77 4.57 0.09 1.70 2.56 -1.26 -1.82 118.70 125.30 3h1u s GLU 16 Ca -0.13 1.27 0.00 0.00 0.00 0.00 0.00 54.97 56.12 3h1u s GLU 16 Cb -0.15 -3.41 -0.00 0.00 2.00 0.00 0.00 34.13 32.57 3h1u s GLU 16 CO 0.02 0.12 0.11 1.33 -0.56 0.00 0.00 175.26 176.28 3h1u n VAL 17 N 3.31 0.00 -4.45 3.70 0.24 -1.19 -4.97 118.33 114.98 3h1u n VAL 17 Ca 0.02 -0.54 -0.20 0.00 -2.04 0.00 0.00 64.34 61.59 3h1u n VAL 17 Cb 0.50 0.30 -0.15 0.00 -1.47 0.00 0.00 33.84 33.03 3h1u n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3h1u s GLU 18 N -2.27 0.85 0.30 7.34 8.01 -1.26 -4.16 118.70 127.51 3h1u s GLU 18 Ca 0.09 -0.37 0.17 0.00 0.01 0.00 0.00 54.97 54.87 3h1u s GLU 18 Cb 0.00 -0.82 0.93 0.00 -4.31 0.00 0.00 34.13 29.94 3h1u s GLU 18 CO 0.06 0.22 1.49 -0.35 0.01 0.00 0.00 175.26 176.69 3h1u n PRO 19 N 2.82 0.11 -0.02 0.39 -0.04 -1.26 -0.46 135.00 136.54 3h1u n PRO 19 Ca -0.14 0.60 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 3h1u n PRO 19 Cb 0.56 -1.98 0.10 0.00 -0.04 0.00 0.00 33.50 32.15 3h1u n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3h1u n SER 20 N -2.13 2.77 -4.64 3.54 7.64 -1.26 0.02 113.62 119.56 3h1u n SER 20 Ca -0.01 -1.86 -0.45 0.00 1.01 0.00 0.00 58.87 57.56 3h1u n SER 20 Cb 0.13 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 3h1u n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h1u n ASP 21 N 1.16 3.66 -4.67 6.43 8.00 0.39 -4.63 116.55 126.88 3h1u n ASP 21 Ca 0.13 0.77 -0.31 0.00 0.71 0.00 0.00 54.79 56.09 3h1u n ASP 21 Cb 0.51 -1.46 0.16 0.00 -0.02 0.00 0.00 41.12 40.31 3h1u n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h1u s THR 22 N 5.20 2.36 0.31 -3.53 -4.23 -1.26 -1.66 115.64 112.83 3h1u s THR 22 Ca 0.94 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 61.56 3h1u s THR 22 Cb -0.53 -2.28 0.22 0.00 1.34 0.00 0.00 72.50 71.25 3h1u s THR 22 CO 0.45 -0.15 1.92 0.40 -0.54 0.00 0.00 174.62 176.69 3h1u h ILE 23 N -1.79 1.20 -0.75 2.99 1.08 -0.14 -1.78 117.51 118.32 3h1u h ILE 23 Ca -0.46 -0.54 0.10 0.00 -0.39 0.00 0.00 64.86 63.58 3h1u h ILE 23 Cb 1.27 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 35.30 3h1u h ILE 23 CO 0.46 0.23 0.38 -0.33 -0.69 0.00 0.00 178.15 178.20 3h1u h GLU 24 N 0.90 0.61 -0.59 2.37 4.39 -1.65 0.67 114.58 121.27 3h1u h GLU 24 Ca 0.23 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 3h1u h GLU 24 Cb 0.06 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3h1u h GLU 24 CO -0.03 0.40 0.26 -0.91 -1.16 0.00 0.00 179.01 177.57 3h1u h ASN 25 N 0.63 0.80 -0.10 1.42 -0.26 -1.64 -1.56 115.58 114.87 3h1u h ASN 25 Ca 0.38 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.98 3h1u h ASN 25 Cb 0.43 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3h1u h ASN 25 CO -0.29 0.73 0.03 0.58 -1.06 0.00 0.00 177.43 177.42 3h1u h VAL 26 N 0.82 0.98 -0.52 2.81 2.07 -0.90 -1.36 116.25 120.14 3h1u h VAL 26 Ca 0.20 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.77 3h1u h VAL 26 Cb 0.16 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3h1u h VAL 26 CO -0.02 0.01 0.19 0.11 0.02 0.00 0.00 177.57 177.88 3h1u h LYS 27 N 0.08 0.36 -0.28 1.57 1.57 -0.58 -0.67 116.57 118.61 3h1u h LYS 27 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3h1u h LYS 27 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3h1u h LYS 27 CO -0.05 0.24 0.09 0.00 -0.57 0.00 0.00 179.45 179.16 3h1u h ALA 28 N 1.35 1.63 -0.29 3.86 0.00 -0.93 -0.64 119.26 124.24 3h1u h ALA 28 Ca 0.25 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3h1u h ALA 28 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h1u h ALA 28 CO -0.26 0.29 -0.22 0.87 0.00 0.00 0.00 179.25 179.93 3h1u h LYS 29 N 0.40 0.55 0.00 0.00 1.57 -0.02 -2.74 116.57 116.33 3h1u h LYS 29 Ca 0.10 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3h1u h LYS 29 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h1u h LYS 29 CO -0.01 0.73 -0.47 0.82 -0.57 0.00 0.00 179.45 179.96 3h1u h ILE 30 N 0.49 1.01 0.00 1.86 2.04 -0.23 -2.90 117.51 119.78 3h1u h ILE 30 Ca 0.07 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3h1u h ILE 30 Cb 0.65 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3h1u h ILE 30 CO 0.05 0.46 0.00 -0.61 0.00 0.00 0.00 178.15 178.05 3h1u h GLN 31 N 0.00 0.00 0.06 2.37 4.15 -0.94 0.31 115.11 121.07 3h1u h GLN 31 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.14 3h1u h GLN 31 Cb 1.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3h1u h GLN 31 CO 0.06 0.00 -1.38 -0.44 -1.93 0.00 0.00 178.83 175.14 3h1u h ASP 32 N 0.00 0.19 -0.01 -0.69 3.32 -1.41 -1.07 116.42 116.77 3h1u h ASP 32 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3h1u h ASP 32 Cb 0.58 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3h1u h ASP 32 CO 0.00 1.22 -0.63 0.29 -1.72 0.00 0.00 179.24 178.39 3h1u n LYS 33 N -3.34 1.46 0.00 3.56 5.02 -1.11 -4.57 118.16 119.17 3h1u n LYS 33 Ca -0.11 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 3h1u n LYS 33 Cb 1.01 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3h1u n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h1u n GLU 34 N -0.88 3.24 -0.08 1.97 -0.58 0.11 -5.00 120.64 119.41 3h1u n GLU 34 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3h1u n GLU 34 Cb 0.31 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 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 1.07 1.60 3.66 0.62 0.00 -0.40 -4.93 105.19 106.80 3h1u n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.20 3.62 0.32 -0.61 1.01 -1.26 -4.93 121.20 117.16 3h1u s ILE 36 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 3h1u s ILE 36 Cb 0.00 -3.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 3h1u s ILE 36 CO 0.00 -0.09 1.45 -2.84 0.00 0.00 0.00 174.94 173.47 3h1u s PRO 37 N 4.09 4.21 0.17 2.79 0.02 -1.26 -4.07 135.00 140.96 3h1u s PRO 37 Ca 0.73 2.43 -0.20 0.00 0.02 0.00 0.00 61.00 63.97 3h1u s PRO 37 Cb -0.32 -3.04 0.10 0.00 0.02 0.00 0.00 34.50 31.27 3h1u s PRO 37 CO 0.29 -0.44 1.61 -1.35 -0.33 0.00 0.00 177.00 176.78 3h1u h PRO 38 N 3.93 -0.17 0.00 5.54 0.11 -1.93 0.66 132.00 140.14 3h1u h PRO 38 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h1u h PRO 38 Cb 1.23 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h1u h PRO 38 CO 0.71 -0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3h1u n ASP 39 N -5.41 0.00 -0.00 -2.05 5.75 -1.26 -0.60 116.55 112.98 3h1u n ASP 39 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.81 3h1u n ASP 39 Cb 0.32 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 3h1u n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1u n GLN 40 N -0.81 6.35 -4.34 0.11 6.02 0.21 -4.95 117.38 119.98 3h1u n GLN 40 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 3h1u n GLN 40 Cb 0.00 -0.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.59 3h1u n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3h1u s GLN 41 N -1.09 2.88 -0.15 -1.09 -2.07 0.23 0.73 119.66 119.10 3h1u s GLN 41 Ca 0.01 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.04 3h1u s GLN 41 Cb 0.01 -2.72 0.00 0.00 -1.09 0.00 0.00 33.01 29.21 3h1u s GLN 41 CO 0.05 0.66 -0.18 1.03 -1.32 0.00 0.00 175.29 175.53 3h1u s ARG 42 N -1.23 3.14 -0.25 9.60 0.52 -0.17 -4.90 118.95 125.66 3h1u s ARG 42 Ca 0.17 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 3h1u s ARG 42 Cb -0.11 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 3h1u s ARG 42 CO 0.06 0.02 0.18 -0.51 0.02 0.00 0.00 175.30 175.08 3h1u s LEU 43 N 0.77 4.09 -0.08 2.53 1.43 -1.26 -1.31 118.68 124.84 3h1u s LEU 43 Ca -0.07 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3h1u s LEU 43 Cb -0.16 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3h1u s LEU 43 CO 0.00 0.02 -0.17 -0.63 0.23 0.00 0.00 176.35 175.80 3h1u s ILE 44 N 1.30 2.74 -0.14 -0.59 -1.09 -0.68 -0.94 121.20 121.81 3h1u s ILE 44 Ca 0.08 -0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 57.60 3h1u s ILE 44 Cb -0.14 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3h1u s ILE 44 CO 0.07 0.56 0.34 0.12 -1.23 0.00 0.00 174.94 174.80 3h1u s PHE 45 N -0.22 -0.45 -1.21 3.97 5.36 0.10 -1.91 117.98 123.63 3h1u s PHE 45 Ca -0.00 1.02 -0.31 0.00 -0.96 0.00 0.00 56.93 56.68 3h1u s PHE 45 Cb -0.13 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.74 3h1u s PHE 45 CO 0.03 -0.26 0.69 0.00 -1.46 0.00 0.00 175.22 174.22 3h1u n ALA 46 N 3.87 -2.58 -1.08 11.12 0.00 -1.26 0.64 120.51 131.22 3h1u n ALA 46 Ca -0.21 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 3h1u n ALA 46 Cb 0.55 -2.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 -2.01 0.75 3.34 0.00 0.00 -1.26 -4.92 105.19 101.08 3h1u n GLY 47 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3h1u n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1u s LYS 48 N -2.38 1.91 -0.28 1.61 -0.14 0.21 -5.11 119.74 115.56 3h1u s LYS 48 Ca 0.00 -1.05 -0.16 0.00 -1.36 0.00 0.00 55.97 53.40 3h1u s LYS 48 Cb 0.00 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.11 3h1u s LYS 48 CO 0.00 0.53 0.41 -1.14 -0.76 0.00 0.00 175.35 174.39 3h1u s GLN 49 N -1.05 3.93 0.05 1.68 0.74 -1.26 0.01 119.66 123.76 3h1u s GLN 49 Ca 0.11 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 3h1u s GLN 49 Cb -0.10 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 3h1u s GLN 49 CO 0.01 -0.36 1.14 -0.51 -0.55 0.00 0.00 175.29 175.02 3h1u s LEU 50 N 2.15 4.37 -0.18 3.68 1.43 -0.11 -5.02 118.68 125.00 3h1u s LEU 50 Ca 0.16 1.93 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 3h1u s LEU 50 Cb -0.16 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3h1u s LEU 50 CO 0.10 -0.41 0.09 -1.61 0.23 0.00 0.00 176.35 174.75 3h1u s GLU 51 N 1.02 3.93 0.00 1.70 0.41 -1.26 -4.57 118.70 119.93 3h1u s GLU 51 Ca 0.57 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 3h1u s GLU 51 Cb -0.27 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 3h1u s GLU 51 CO 0.29 0.37 0.00 -0.25 -0.49 0.00 0.00 175.26 175.18 3h1u n ASP 52 N 3.26 0.00 -0.30 -0.19 8.00 -1.26 -1.48 116.55 124.58 3h1u n ASP 52 Ca -0.17 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.31 3h1u n ASP 52 Cb 0.53 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.72 3h1u n ASP 52 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3h1u h GLY 53 N 0.00 1.19 -1.05 0.44 0.00 -1.97 -2.17 103.07 99.51 3h1u h GLY 53 Ca 0.00 -0.42 -0.44 0.00 0.00 0.00 0.00 47.33 46.48 3h1u h GLY 53 CO 0.00 0.38 0.03 0.50 0.00 0.00 0.00 176.54 177.45 3h1u s ARG 54 N -6.11 -0.81 0.37 4.80 0.52 -0.55 -4.59 118.95 112.57 3h1u s ARG 54 Ca -0.13 0.75 0.07 0.00 -0.52 0.00 0.00 55.73 55.91 3h1u s ARG 54 Cb 0.16 -1.57 -0.07 0.00 0.52 0.00 0.00 34.95 33.99 3h1u s ARG 54 CO 0.79 -3.63 -0.02 0.95 0.02 0.00 0.00 175.30 173.40 3h1u s THR 55 N -2.54 1.98 0.31 0.02 -4.23 -1.26 0.02 115.64 109.94 3h1u s THR 55 Ca 0.68 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 3h1u s THR 55 Cb -0.24 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.07 3h1u s THR 55 CO 0.64 -0.08 1.85 -0.07 -0.54 0.00 0.00 174.62 176.41 3h1u h LEU 56 N 1.92 0.83 0.24 4.79 3.38 -1.36 -2.32 115.31 122.78 3h1u h LEU 56 Ca -0.43 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3h1u h LEU 56 Cb 1.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3h1u h LEU 56 CO 0.76 0.44 -0.11 0.77 0.09 0.00 0.00 178.44 180.38 3h1u h SER 57 N 0.89 -0.27 -1.62 -0.43 4.64 -0.71 -0.00 113.55 116.04 3h1u h SER 57 Ca 0.47 -0.17 0.47 0.00 -0.47 0.00 0.00 61.79 62.10 3h1u h SER 57 Cb 0.55 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 3h1u h SER 57 CO -0.24 0.02 1.16 0.44 -0.87 0.00 0.00 176.83 177.35 3h1u h ASP 58 N -0.58 0.02 -0.65 4.97 5.19 -1.69 1.78 116.42 125.47 3h1u h ASP 58 Ca -0.03 0.01 -0.32 0.00 -0.62 0.00 0.00 57.03 56.06 3h1u h ASP 58 Cb 0.42 0.01 -0.19 0.00 0.18 0.00 0.00 39.33 39.75 3h1u h ASP 58 CO 0.05 -0.01 0.26 -1.22 -3.12 0.00 0.00 179.24 175.20 3h1u n TYR 59 N -4.08 2.01 -3.76 4.55 4.01 -1.04 -4.96 117.16 113.89 3h1u n TYR 59 Ca 0.36 -1.66 -0.23 0.00 -0.16 0.00 0.00 57.90 56.21 3h1u n TYR 59 Cb 1.67 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 39.99 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 -1.06 -1.01 -4.23 7.72 2.85 0.61 -4.82 115.26 115.32 3h1u n ASN 60 Ca 0.45 -0.75 -0.44 0.00 -0.11 0.00 0.00 54.58 53.72 3h1u n ASN 60 Cb 1.33 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 41.43 3h1u n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3h1u n ILE 61 N -3.22 4.81 -0.65 -1.44 5.41 -0.04 -5.02 119.36 119.21 3h1u n ILE 61 Ca -0.12 -5.54 -0.31 0.00 1.00 0.00 0.00 62.75 57.78 3h1u n ILE 61 Cb 0.36 -2.42 0.18 0.00 -0.71 0.00 0.00 39.64 37.05 3h1u n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1u n GLN 62 N 2.32 -1.21 -0.56 0.38 3.00 -1.26 -4.81 117.38 115.24 3h1u n GLN 62 Ca 0.25 -0.31 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 3h1u n GLN 62 Cb 0.37 -2.05 0.22 0.00 0.00 0.00 0.00 30.24 28.79 3h1u n GLN 62 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 3h1u n LYS 63 N -3.36 -2.15 -0.00 -1.09 2.85 -1.26 -3.22 118.16 109.93 3h1u n LYS 63 Ca 0.06 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.72 3h1u n LYS 63 Cb 0.55 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 3h1u n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3h1u n GLU 64 N -3.69 0.00 -0.64 -1.58 4.07 0.27 -4.91 120.64 114.15 3h1u n GLU 64 Ca 0.02 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.83 3h1u n GLU 64 Cb 0.58 -3.35 0.16 0.00 -0.06 0.00 0.00 31.44 28.76 3h1u n GLU 64 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3h1u n SER 65 N 0.00 -2.65 -3.98 4.31 7.64 -1.20 -4.48 113.62 113.26 3h1u n SER 65 Ca 0.00 -0.22 -0.18 0.00 1.01 0.00 0.00 58.87 59.48 3h1u n SER 65 Cb 0.00 -0.86 -0.15 0.00 -1.01 0.00 0.00 64.21 62.19 3h1u n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h1u s THR 66 N -2.17 0.61 0.14 0.44 2.01 -1.26 0.14 115.64 115.55 3h1u s THR 66 Ca 0.49 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.29 3h1u s THR 66 Cb -0.08 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3h1u s THR 66 CO 0.56 0.19 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.70 3h1u s LEU 67 N 0.03 2.36 -0.20 4.42 1.43 0.41 -4.89 118.68 122.24 3h1u s LEU 67 Ca -0.00 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3h1u s LEU 67 Cb -0.05 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 3h1u s LEU 67 CO -0.00 0.07 -0.07 -1.00 0.23 0.00 0.00 176.35 175.58 3h1u s HIS 68 N -1.44 2.92 0.12 0.29 3.76 -0.80 0.36 115.29 120.50 3h1u s HIS 68 Ca 0.13 -0.94 -0.22 0.00 -0.15 0.00 0.00 55.06 53.88 3h1u s HIS 68 Cb -0.09 -2.05 -0.07 0.00 1.11 0.00 0.00 32.58 31.48 3h1u s HIS 68 CO 0.06 -0.50 0.68 -1.17 -0.85 0.00 0.00 174.74 172.95 3h1u s LEU 69 N 1.26 4.56 -0.04 0.89 0.20 -0.87 -1.68 118.68 123.00 3h1u s LEU 69 Ca 0.03 1.46 0.01 0.00 0.69 0.00 0.00 54.13 56.32 3h1u s LEU 69 Cb -0.14 -3.11 0.02 0.00 -0.43 0.00 0.00 46.19 42.53 3h1u s LEU 69 CO -0.03 0.24 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.55 3h1u s VAL 70 N -1.13 0.47 0.55 1.68 1.01 -0.43 -4.55 120.40 117.99 3h1u s VAL 70 Ca 0.33 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 3h1u s VAL 70 Cb -0.21 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 3h1u s VAL 70 CO 0.23 0.21 1.27 -0.22 0.00 0.00 0.00 175.10 176.59 3h1u s LEU 71 N 0.99 3.82 -0.07 3.92 2.96 -1.26 -1.00 118.68 128.04 3h1u s LEU 71 Ca -0.10 2.55 -0.00 0.00 -0.22 0.00 0.00 54.13 56.36 3h1u s LEU 71 Cb -0.14 -4.38 0.02 0.00 0.50 0.00 0.00 46.19 42.20 3h1u s LEU 71 CO -0.00 -1.46 -0.04 -0.60 -1.32 0.00 0.00 176.35 172.92 3h1u s ARG 72 N -3.00 0.97 0.22 1.98 3.00 0.22 -4.78 118.95 117.57 3h1u s ARG 72 Ca 0.72 -0.09 0.11 0.00 -1.00 0.00 0.00 55.73 55.47 3h1u s ARG 72 Cb -0.35 -1.09 -0.05 0.00 0.00 0.00 0.00 34.95 33.46 3h1u s ARG 72 CO 0.40 -0.19 -0.20 -0.51 0.00 0.00 0.00 175.30 174.80 3h1u s LEU 73 N 1.43 2.51 -0.19 -0.88 2.01 -1.26 -4.64 118.68 117.67 3h1u s LEU 73 Ca -0.02 -0.95 0.20 0.00 0.01 0.00 0.00 54.13 53.37 3h1u s LEU 73 Cb -0.13 -1.02 0.43 0.00 0.01 0.00 0.00 46.19 45.48 3h1u s LEU 73 CO -0.03 0.02 1.19 -2.11 1.01 0.00 0.00 176.35 176.43 3h1u n ARG 74 N -0.17 1.08 0.00 1.70 0.00 -1.26 -5.19 116.66 112.82 3h1u n ARG 74 Ca -0.09 -2.53 0.14 0.00 -0.00 0.00 0.00 57.85 55.37 3h1u n ARG 74 Cb 0.58 -0.68 0.43 0.00 -0.00 0.00 0.00 32.46 32.80 3h1u n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04