#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 n GLY 2 N 0.00 -1.66 3.54 0.00 0.00 -1.26 -5.10 105.19 100.72 1x37 n GLY 2 Ca 0.00 0.67 -0.41 0.00 0.00 0.00 0.00 46.02 46.28 1x37 n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x37 s TYR 3 N 0.00 2.35 0.47 1.61 2.02 -1.26 -5.00 117.35 117.55 1x37 s TYR 3 Ca 0.00 -0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.33 1x37 s TYR 3 Cb 0.00 -4.60 -0.09 0.00 -0.40 0.00 0.00 41.96 36.87 1x37 s TYR 3 CO 0.00 -2.02 0.96 0.95 -1.57 0.00 0.00 175.55 173.87 1x37 s THR 4 N 5.48 4.48 0.29 -0.71 -4.23 -1.26 -4.86 115.64 114.83 1x37 s THR 4 Ca 0.35 1.32 0.03 0.00 -1.18 0.00 0.00 61.69 62.21 1x37 s THR 4 Cb -0.08 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1x37 s THR 4 CO 0.12 -0.52 1.71 -0.33 -0.54 0.00 0.00 174.62 175.06 1x37 h GLU 5 N 1.37 0.42 0.57 3.99 3.07 -2.00 -0.91 114.58 121.10 1x37 h GLU 5 Ca -0.48 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 1x37 h GLU 5 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1x37 h GLU 5 CO 0.61 0.28 -0.29 0.82 -1.40 0.00 0.00 179.01 179.04 1x37 h ILE 6 N 0.44 0.42 -0.18 3.13 1.08 -1.99 -1.31 117.51 119.09 1x37 h ILE 6 Ca 0.54 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 65.04 1x37 h ILE 6 Cb 0.99 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1x37 h ILE 6 CO -0.50 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.27 1x37 h GLU 7 N -0.78 -0.31 -1.01 2.37 4.39 -1.56 0.24 114.58 117.93 1x37 h GLU 7 Ca -0.08 0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.91 1x37 h GLU 7 Cb 0.61 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.20 1x37 h GLU 7 CO 0.12 -0.21 0.60 0.87 -1.16 0.00 0.00 179.01 179.23 1x37 h LYS 8 N -0.32 0.50 -0.28 2.33 1.57 -1.35 0.13 116.57 119.15 1x37 h LYS 8 Ca 0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1x37 h LYS 8 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1x37 h LYS 8 CO -0.34 0.33 -0.00 1.25 -0.57 0.00 0.00 179.45 180.12 1x37 h LEU 9 N 0.51 0.49 0.04 2.94 5.85 0.44 0.21 115.31 125.79 1x37 h LEU 9 Ca 0.66 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 59.09 1x37 h LEU 9 Cb 1.35 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1x37 h LEU 9 CO -0.49 0.68 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.09 1x37 h GLU 10 N 0.28 -0.21 0.18 1.25 4.57 0.20 -1.47 114.58 119.39 1x37 h GLU 10 Ca 0.08 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1x37 h GLU 10 Cb 0.43 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1x37 h GLU 10 CO 0.01 -0.14 -0.09 -0.84 -1.18 0.00 0.00 179.01 176.78 1x37 h ILE 11 N -0.21 0.00 -1.09 2.32 3.07 -1.27 -1.48 117.51 118.84 1x37 h ILE 11 Ca 0.03 -0.33 0.43 0.00 1.55 0.00 0.00 64.86 66.54 1x37 h ILE 11 Cb 0.24 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.63 1x37 h ILE 11 CO -0.08 0.00 0.64 0.52 -1.05 0.00 0.00 178.15 178.17 1x37 n VAL 12 N -3.56 -0.35 0.12 0.16 0.31 0.72 0.27 118.33 116.00 1x37 n VAL 12 Ca -0.03 1.89 -0.24 0.00 -0.01 0.00 0.00 64.34 65.95 1x37 n VAL 12 Cb 0.09 -3.08 -0.15 0.00 -0.91 0.00 0.00 33.84 29.79 1x37 n VAL 12 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1x37 h LYS 13 N 0.00 0.48 0.10 5.55 3.64 -1.32 -3.27 116.57 121.75 1x37 h LYS 13 Ca 0.83 -0.82 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1x37 h LYS 13 Cb 2.38 0.31 0.01 0.00 -0.41 0.00 0.00 32.23 34.51 1x37 h LYS 13 CO -0.64 1.39 -0.79 -0.44 -2.27 0.00 0.00 179.45 176.70 1x37 h ASP 14 N 0.13 0.33 -0.67 4.20 5.19 0.65 -3.37 116.42 122.88 1x37 h ASP 14 Ca -0.30 -0.92 -0.05 0.00 -0.62 0.00 0.00 57.03 55.14 1x37 h ASP 14 Cb 2.14 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 41.51 1x37 h ASP 14 CO 0.24 1.36 0.22 1.12 -3.12 0.00 0.00 179.24 179.06 1x37 h HIS 15 N -0.52 1.08 -1.14 4.55 2.07 -0.38 -3.12 115.15 117.68 1x37 h HIS 15 Ca -0.16 -0.10 0.43 0.00 -2.85 0.00 0.00 60.37 57.69 1x37 h HIS 15 Cb 1.52 -0.32 -0.15 0.00 2.57 0.00 0.00 27.41 31.04 1x37 h HIS 15 CO 0.20 0.85 0.69 1.47 -3.07 0.00 0.00 177.93 178.07 1x37 n LEU 16 N -4.27 0.25 0.03 6.12 -0.00 -1.23 -0.14 117.00 117.76 1x37 n LEU 16 Ca 0.06 1.42 -0.01 0.00 -0.00 0.00 0.00 56.01 57.47 1x37 n LEU 16 Cb 0.22 -0.69 -0.01 0.00 -0.00 0.00 0.00 43.42 42.94 1x37 n LEU 16 CO 0.41 -1.56 0.29 -0.07 -0.00 0.00 0.00 177.39 176.46 1x37 h LEU 17 N 0.00 -0.06 -0.35 1.47 3.38 -1.79 -3.22 115.31 114.73 1x37 h LEU 17 Ca 0.82 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.73 1x37 h LEU 17 Cb 2.43 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 43.18 1x37 h LEU 17 CO -0.56 -0.03 -0.01 1.55 0.09 0.00 0.00 178.44 179.48 1x37 h PRO 18 N -0.11 0.63 -0.59 1.13 0.13 -1.57 -0.25 132.00 131.37 1x37 h PRO 18 Ca -0.01 -0.21 0.12 0.00 -0.87 0.00 0.00 66.00 65.03 1x37 h PRO 18 Cb 0.06 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1x37 h PRO 18 CO 0.01 0.75 -0.20 -0.22 -0.23 0.00 0.00 178.00 178.12 1x37 h LYS 19 N 0.44 -0.05 0.00 0.86 3.11 -0.71 0.31 116.57 120.53 1x37 h LYS 19 Ca 0.10 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1x37 h LYS 19 Cb 0.48 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1x37 h LYS 19 CO 0.02 -0.03 -0.03 1.96 -2.81 0.00 0.00 179.45 178.55 1x37 h GLN 20 N -0.05 0.00 -1.04 1.90 1.08 -1.56 -3.28 115.11 112.15 1x37 h GLN 20 Ca 0.28 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.75 1x37 h GLN 20 Cb 0.48 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.79 1x37 h GLN 20 CO -0.63 0.50 0.64 0.82 -0.95 0.00 0.00 178.83 179.21 1x37 h ILE 21 N -1.00 0.48 0.00 2.54 1.08 -0.87 0.11 117.51 119.85 1x37 h ILE 21 Ca -0.01 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1x37 h ILE 21 Cb 0.52 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1x37 h ILE 21 CO -0.00 0.08 0.00 1.17 -0.69 0.00 0.00 178.15 178.71 1x37 n LYS 22 N -4.78 0.00 -0.36 2.37 4.81 0.11 0.54 118.16 120.85 1x37 n LYS 22 Ca 0.27 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 58.04 1x37 n LYS 22 Cb 0.87 -0.75 0.59 0.00 0.02 0.00 0.00 35.03 35.76 1x37 n LYS 22 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x37 h GLU 23 N 0.00 0.06 0.21 1.64 4.81 -1.61 1.68 114.58 121.37 1x37 h GLU 23 Ca 0.00 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1x37 h GLU 23 Cb 0.00 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.39 1x37 h GLU 23 CO 0.00 0.04 -1.43 0.45 -0.73 0.00 0.00 179.01 177.34 1x37 h HIS 24 N 0.06 0.82 -1.25 0.92 3.86 -0.82 -3.29 115.15 115.45 1x37 h HIS 24 Ca 0.83 -0.60 0.46 0.00 -1.16 0.00 0.00 60.37 59.90 1x37 h HIS 24 Cb 2.28 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.56 1x37 h HIS 24 CO -0.01 1.48 0.77 0.41 0.86 0.00 0.00 177.93 181.44 1x37 n GLY 25 N 1.67 -0.81 0.29 2.45 0.00 2.13 -0.21 105.19 110.71 1x37 n GLY 25 Ca -0.15 0.77 0.28 0.00 0.00 0.00 0.00 46.02 46.93 1x37 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x37 n LEU 26 N -4.90 0.29 -4.98 0.99 4.32 -1.03 -4.15 117.00 107.55 1x37 n LEU 26 Ca 0.39 1.41 -0.21 0.00 -0.02 0.00 0.00 56.01 57.59 1x37 n LEU 26 Cb 1.47 -0.69 -0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1x37 n LEU 26 CO 0.12 -1.57 0.10 -0.54 -1.22 0.00 0.00 177.39 174.27 1x37 s LYS 27 N -5.28 3.20 0.90 3.23 1.02 0.71 -5.05 119.74 118.47 1x37 s LYS 27 Ca -0.08 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 54.96 1x37 s LYS 27 Cb 0.29 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1x37 s LYS 27 CO 0.67 0.07 -0.04 1.17 -0.92 0.00 0.00 175.35 176.31 1x37 n LYS 28 N -1.70 -0.07 -1.52 1.68 4.81 -1.26 -4.40 118.16 115.71 1x37 n LYS 28 Ca -0.02 0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 1x37 n LYS 28 Cb 0.58 -1.49 -0.17 0.00 0.02 0.00 0.00 35.03 33.96 1x37 n LYS 28 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1x37 n SER 29 N 0.81 -0.33 -2.53 3.14 3.41 -1.26 -4.70 113.62 112.15 1x37 n SER 29 Ca 0.04 -0.68 -0.29 0.00 -0.26 0.00 0.00 58.87 57.68 1x37 n SER 29 Cb 0.53 -0.89 0.01 0.00 -0.26 0.00 0.00 64.21 63.61 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x37 n ASN 30 N 9.65 5.32 -3.64 4.04 2.85 -1.26 -3.64 115.26 128.59 1x37 n ASN 30 Ca 0.61 -3.75 -0.08 0.00 -0.11 0.00 0.00 54.58 51.26 1x37 n ASN 30 Cb 0.21 -0.58 -0.07 0.00 1.24 0.00 0.00 39.78 40.58 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x37 s LEU 31 N -3.65 -0.81 -0.45 1.20 2.96 -1.26 -4.29 118.68 112.38 1x37 s LEU 31 Ca 0.49 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.83 1x37 s LEU 31 Cb 0.41 2.29 0.21 0.00 0.50 0.00 0.00 46.19 49.61 1x37 s LEU 31 CO -0.22 -0.22 0.61 1.67 -1.32 0.00 0.00 176.35 176.87 1x37 n GLN 32 N 3.70 0.55 -2.63 1.98 -0.06 0.62 -4.78 117.38 116.77 1x37 n GLN 32 Ca -0.18 -2.60 -0.22 0.00 -2.00 0.00 0.00 57.00 52.00 1x37 n GLN 32 Cb 0.58 -1.45 0.07 0.00 -4.06 0.00 0.00 30.24 25.38 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1x37 s LEU 33 N -0.31 3.12 0.19 1.69 0.05 -1.26 -1.53 118.68 120.63 1x37 s LEU 33 Ca 0.33 -0.21 0.06 0.00 0.05 0.00 0.00 54.13 54.35 1x37 s LEU 33 Cb 0.11 -2.39 -0.05 0.00 -2.05 0.00 0.00 46.19 41.81 1x37 s LEU 33 CO -0.15 -1.49 -0.10 -0.13 -0.55 0.00 0.00 176.35 173.92 1x37 s ARG 34 N -4.94 1.25 0.12 1.48 0.52 -1.25 -4.89 118.95 111.25 1x37 s ARG 34 Ca 0.62 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 54.06 1x37 s ARG 34 Cb -0.08 -0.89 -0.07 0.00 0.52 0.00 0.00 34.95 34.44 1x37 s ARG 34 CO 0.41 0.10 1.78 -0.44 0.02 0.00 0.00 175.30 177.17 1x37 h ASP 35 N 2.60 0.23 -0.91 0.23 3.32 -1.99 -2.17 116.42 117.73 1x37 h ASP 35 Ca -0.38 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 56.81 1x37 h ASP 35 Cb 1.21 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 1x37 h ASP 35 CO 0.63 0.17 0.52 0.06 -1.72 0.00 0.00 179.24 178.90 1x37 h GLN 36 N 0.27 0.74 0.03 3.56 3.07 -1.98 0.02 115.11 120.82 1x37 h GLN 36 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 1x37 h GLN 36 Cb -0.03 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.36 1x37 h GLN 36 CO -0.02 0.49 -0.05 0.00 0.09 0.00 0.00 178.83 179.34 1x37 h ALA 37 N 1.56 -0.69 -0.41 0.06 0.00 -1.68 0.16 119.26 118.26 1x37 h ALA 37 Ca 0.49 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.47 1x37 h ALA 37 Cb 0.63 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1x37 h ALA 37 CO -0.33 -0.70 -0.16 0.82 0.00 0.00 0.00 179.25 178.88 1x37 h ILE 38 N -0.09 0.49 -0.97 0.00 2.04 -1.38 0.20 117.51 117.79 1x37 h ILE 38 Ca -0.00 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.12 1x37 h ILE 38 Cb 0.08 0.49 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1x37 h ILE 38 CO -0.02 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.58 1x37 h LEU 39 N -0.07 0.52 0.28 1.44 3.38 -0.69 -0.23 115.31 119.94 1x37 h LEU 39 Ca 0.20 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1x37 h LEU 39 Cb 0.38 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x37 h LEU 39 CO -0.46 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 178.37 1x37 h ASP 40 N 0.45 -0.32 0.00 -0.43 3.32 0.23 -2.40 116.42 117.27 1x37 h ASP 40 Ca 0.64 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1x37 h ASP 40 Cb 1.30 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1x37 h ASP 40 CO -0.53 -0.02 0.00 -0.38 -1.72 0.00 0.00 179.24 176.59 1x37 n ILE 41 N -5.14 0.00 -0.35 0.35 5.41 -0.12 -0.22 119.36 119.29 1x37 n ILE 41 Ca -0.10 1.15 0.34 0.00 1.00 0.00 0.00 62.75 65.14 1x37 n ILE 41 Cb 0.24 -1.74 0.61 0.00 -0.71 0.00 0.00 39.64 38.04 1x37 n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x37 n ILE 42 N -1.47 -0.38 -0.13 1.39 3.06 -1.04 0.89 119.36 121.67 1x37 n ILE 42 Ca 0.00 1.97 -0.04 0.00 -2.50 0.00 0.00 62.75 62.18 1x37 n ILE 42 Cb 0.00 -3.21 0.04 0.00 0.54 0.00 0.00 39.64 37.00 1x37 n ILE 42 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1x37 h ARG 43 N 0.00 0.16 0.20 9.51 1.12 -0.05 2.59 114.38 127.91 1x37 h ARG 43 Ca 0.85 -0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 59.44 1x37 h ARG 43 Cb 2.37 -0.04 0.03 0.00 -0.01 0.00 0.00 29.97 32.32 1x37 h ARG 43 CO -0.70 0.11 -1.21 1.88 -3.11 0.00 0.00 179.97 176.94 1x37 h TYR 44 N 0.17 0.78 0.12 2.20 0.05 0.16 -3.36 116.97 117.08 1x37 h TYR 44 Ca 0.20 -0.57 -0.01 0.00 0.05 0.00 0.00 58.73 58.41 1x37 h TYR 44 Cb 0.27 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1x37 h TYR 44 CO -0.23 1.46 -0.06 1.88 -1.05 0.00 0.00 178.16 180.16 1x37 h TYR 45 N -0.09 -0.15 -0.02 4.88 -1.99 -0.62 -3.36 116.97 115.62 1x37 h TYR 45 Ca -0.21 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.51 1x37 h TYR 45 Cb 1.93 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 40.71 1x37 h TYR 45 CO 0.16 0.33 -0.00 2.41 -0.00 0.00 0.00 178.16 181.05 1x37 n THR 46 N -4.90 0.00 -2.65 -2.88 -1.04 0.87 -4.84 114.28 98.84 1x37 n THR 46 Ca -0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 1x37 n THR 46 Cb 0.28 -0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 1x37 n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x37 s ARG 47 N -1.14 4.22 0.00 -2.82 1.04 -1.26 -4.97 118.95 114.02 1x37 s ARG 47 Ca 0.00 1.32 0.00 0.00 -1.04 0.00 0.00 55.73 56.01 1x37 s ARG 47 Cb 0.00 -3.66 0.00 0.00 -2.04 0.00 0.00 34.95 29.25 1x37 s ARG 47 CO 0.00 -0.69 0.00 -0.85 -0.04 0.00 0.00 175.30 173.72 1x37 n GLU 48 N 6.44 0.00 -3.14 3.89 0.28 -1.26 -4.67 120.64 122.18 1x37 n GLU 48 Ca 0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1x37 n GLU 48 Cb 0.46 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.35 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x37 n ALA 49 N -3.00 -2.50 -1.18 -1.84 0.00 -1.26 -4.38 120.51 106.34 1x37 n ALA 49 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x37 n ALA 49 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1x37 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x37 n GLY 50 N -1.60 -4.43 0.36 0.00 0.00 -1.26 -4.12 105.19 94.14 1x37 n GLY 50 Ca -0.03 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1x37 n GLY 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x37 h VAL 51 N 1.99 0.90 -1.01 1.61 -1.51 -1.98 -0.24 116.25 116.01 1x37 h VAL 51 Ca 0.00 -0.34 0.31 0.00 -1.23 0.00 0.00 66.70 65.45 1x37 h VAL 51 Cb 0.00 -0.16 -0.14 0.00 -2.13 0.00 0.00 31.29 28.86 1x37 h VAL 51 CO 0.00 0.18 0.59 0.03 -1.23 0.00 0.00 177.57 177.13 1x37 h ARG 52 N 0.98 0.35 0.48 5.19 2.47 -1.93 0.17 114.38 122.08 1x37 h ARG 52 Ca 0.50 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.18 1x37 h ARG 52 Cb 0.52 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1x37 h ARG 52 CO -0.27 0.23 -0.23 0.77 0.56 0.00 0.00 179.97 181.03 1x37 h SER 53 N 0.36 -0.54 -0.33 7.04 0.02 -1.19 0.24 113.55 119.15 1x37 h SER 53 Ca 0.72 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.74 1x37 h SER 53 Cb 1.64 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 64.23 1x37 h SER 53 CO -0.57 -0.35 -0.30 0.25 -1.14 0.00 0.00 176.83 174.71 1x37 h LEU 54 N -0.68 -0.98 -1.08 5.07 5.85 -0.75 0.45 115.31 123.19 1x37 h LEU 54 Ca -0.07 0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1x37 h LEU 54 Cb 0.51 0.46 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1x37 h LEU 54 CO 0.11 -0.31 0.62 -0.33 -0.34 0.00 0.00 178.44 178.18 1x37 h GLU 55 N -0.26 0.77 -0.84 1.25 5.08 -1.05 0.22 114.58 119.75 1x37 h GLU 55 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1x37 h GLU 55 Cb 0.52 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1x37 h GLU 55 CO -0.48 0.51 0.44 -0.09 -1.00 0.00 0.00 179.01 178.39 1x37 h ARG 56 N 0.79 1.18 -0.43 2.33 2.43 0.20 0.16 114.38 121.03 1x37 h ARG 56 Ca 0.54 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1x37 h ARG 56 Cb 0.80 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1x37 h ARG 56 CO -0.31 0.88 0.16 0.37 -1.51 0.00 0.00 179.97 179.56 1x37 h GLN 57 N 1.18 0.66 -0.48 0.20 5.75 0.11 0.19 115.11 122.72 1x37 h GLN 57 Ca 0.29 -0.13 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 1x37 h GLN 57 Cb 0.06 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1x37 h GLN 57 CO -0.04 0.62 -0.23 -0.07 -2.65 0.00 0.00 178.83 176.46 1x37 h LEU 58 N 0.56 1.03 -0.98 -2.39 3.38 -0.91 -1.96 115.31 114.04 1x37 h LEU 58 Ca 0.14 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1x37 h LEU 58 Cb 0.22 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1x37 h LEU 58 CO -0.01 1.20 0.20 0.00 0.09 0.00 0.00 178.44 179.93 1x37 h ALA 59 N 0.87 1.18 0.48 1.53 0.00 -0.43 -0.81 119.26 122.08 1x37 h ALA 59 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1x37 h ALA 59 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x37 h ALA 59 CO 0.07 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 1x37 h ALA 60 N 1.31 -0.65 -0.78 0.00 0.00 -0.23 -1.66 119.26 117.25 1x37 h ALA 60 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x37 h ALA 60 Cb 0.25 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1x37 h ALA 60 CO -0.01 -0.80 0.42 0.97 0.00 0.00 0.00 179.25 179.82 1x37 h ILE 61 N -0.78 1.23 0.00 0.00 2.10 -1.26 0.19 117.51 119.00 1x37 h ILE 61 Ca -0.07 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.28 1x37 h ILE 61 Cb 0.56 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1x37 h ILE 61 CO 0.11 0.26 0.00 0.00 -1.08 0.00 0.00 178.15 177.44 1x37 h ARG 63 N 0.00 0.47 -1.05 0.00 0.11 -1.33 0.14 114.38 112.72 1x37 h ARG 63 Ca 0.00 -0.03 0.36 0.00 0.10 0.00 0.00 59.98 60.41 1x37 h ARG 63 Cb 0.00 -0.11 -0.15 0.00 1.11 0.00 0.00 29.97 30.82 1x37 h ARG 63 CO 0.00 0.31 0.61 -0.22 0.10 0.00 0.00 179.97 180.77 1x37 h LYS 64 N 0.48 0.21 -0.22 0.08 3.64 -0.53 2.82 116.57 123.05 1x37 h LYS 64 Ca 0.25 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.43 1x37 h LYS 64 Cb 0.20 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1x37 h LYS 64 CO -0.20 0.14 -0.60 0.00 -2.27 0.00 0.00 179.45 176.53 1x37 h ALA 65 N 1.83 0.52 -0.79 5.00 0.00 0.48 -2.00 119.26 124.30 1x37 h ALA 65 Ca 0.77 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1x37 h ALA 65 Cb 1.93 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1x37 h ALA 65 CO -0.60 0.69 0.48 0.00 0.00 0.00 0.00 179.25 179.82 1x37 h ALA 66 N 0.77 1.08 -0.31 0.00 0.00 0.60 -1.80 119.26 119.60 1x37 h ALA 66 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1x37 h ALA 66 Cb 1.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1x37 h ALA 66 CO 0.12 0.20 -0.50 0.87 0.00 0.00 0.00 179.25 179.95 1x37 h LYS 67 N 0.88 0.87 -0.59 0.00 1.57 -0.80 -2.60 116.57 115.89 1x37 h LYS 67 Ca 0.35 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1x37 h LYS 67 Cb 0.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1x37 h LYS 67 CO -0.17 1.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 1x37 n ALA 68 N -2.56 2.02 0.10 3.86 0.00 -0.71 -4.16 120.51 119.06 1x37 n ALA 68 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1x37 n ALA 68 Cb 0.60 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.30 1x37 n ALA 68 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1x37 h ILE 69 N 0.00 0.01 0.00 0.00 2.10 -1.08 0.85 117.51 119.39 1x37 h ILE 69 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1x37 h ILE 69 Cb 0.30 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1x37 h ILE 69 CO 0.00 0.00 0.00 1.33 -1.08 0.00 0.00 178.15 178.40 1x37 n VAL 70 N -2.86 0.00 0.00 2.19 0.24 -1.26 -4.26 118.33 112.37 1x37 n VAL 70 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1x37 n VAL 70 Cb 1.17 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x37 n ALA 71 N -0.76 0.00 -0.75 2.33 0.00 0.30 -4.89 120.51 116.73 1x37 n ALA 71 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x37 n ALA 71 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1x37 n ALA 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x37 n GLU 72 N -0.02 0.00 -2.93 0.00 2.13 -1.26 -4.55 120.64 114.01 1x37 n GLU 72 Ca 0.00 0.27 -0.40 0.00 0.66 0.00 0.00 57.16 57.69 1x37 n GLU 72 Cb 0.00 -1.12 -0.05 0.00 0.27 0.00 0.00 31.44 30.53 1x37 n GLU 72 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x37 s GLU 73 N -1.49 4.57 -0.20 5.31 2.02 -1.26 -4.93 118.70 122.72 1x37 s GLU 73 Ca 0.00 1.18 0.01 0.00 0.02 0.00 0.00 54.97 56.18 1x37 s GLU 73 Cb 0.00 -3.32 0.23 0.00 0.10 0.00 0.00 34.13 31.13 1x37 s GLU 73 CO 0.00 0.39 1.58 0.54 0.02 0.00 0.00 175.26 177.79 1x37 n ARG 74 N 2.29 1.54 -3.58 1.61 3.00 -1.26 -4.82 116.66 115.44 1x37 n ARG 74 Ca -0.03 -1.19 -0.10 0.00 -0.01 0.00 0.00 57.85 56.52 1x37 n ARG 74 Cb 0.49 -1.47 -0.05 0.00 0.00 0.00 0.00 32.46 31.44 1x37 n ARG 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1x37 s LYS 75 N -1.33 0.60 -0.39 5.56 2.20 -1.26 -5.04 119.74 120.07 1x37 s LYS 75 Ca 0.23 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.74 1x37 s LYS 75 Cb 0.19 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.82 1x37 s LYS 75 CO 0.03 -0.19 0.53 0.54 -0.36 0.00 0.00 175.35 175.90 1x37 n ARG 76 N 0.71 -2.12 -3.15 4.03 5.12 -1.24 -4.89 116.66 115.13 1x37 n ARG 76 Ca -0.10 1.78 -0.40 0.00 -1.93 0.00 0.00 57.85 57.19 1x37 n ARG 76 Cb 0.58 -3.74 -0.07 0.00 -1.16 0.00 0.00 32.46 28.07 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x37 s ILE 77 N -1.91 5.01 0.17 0.55 1.01 -1.26 -4.90 121.20 119.86 1x37 s ILE 77 Ca 0.27 1.05 -0.16 0.00 0.00 0.00 0.00 60.65 61.80 1x37 s ILE 77 Cb -0.05 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 1x37 s ILE 77 CO 0.75 0.04 0.60 -0.89 0.00 0.00 0.00 174.94 175.44 1x37 s THR 78 N 2.45 4.76 -0.56 2.92 2.01 -1.26 -0.27 115.64 125.70 1x37 s THR 78 Ca 0.25 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.26 1x37 s THR 78 Cb -0.15 -3.78 0.15 0.00 0.01 0.00 0.00 72.50 68.73 1x37 s THR 78 CO 0.09 0.24 0.34 -0.69 -0.69 0.00 0.00 174.62 173.90 1x37 s VAL 79 N -1.48 2.26 0.66 3.82 1.01 -0.58 -4.90 120.40 121.19 1x37 s VAL 79 Ca 0.39 -3.42 0.02 0.00 0.00 0.00 0.00 61.98 58.97 1x37 s VAL 79 Cb -0.16 -2.54 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1x37 s VAL 79 CO 0.20 -0.92 0.90 0.35 0.00 0.00 0.00 175.10 175.63 1x37 n THR 80 N 2.81 0.00 0.29 3.92 -2.24 -1.26 -3.89 114.28 113.91 1x37 n THR 80 Ca 0.12 -1.58 0.17 0.00 -2.27 0.00 0.00 64.05 60.49 1x37 n THR 80 Cb 0.35 -0.82 0.91 0.00 -2.10 0.00 0.00 70.33 68.66 1x37 n THR 80 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x37 h GLU 81 N 0.00 0.00 0.03 -0.78 4.11 -1.91 -1.63 114.58 114.40 1x37 h GLU 81 Ca -0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1x37 h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x37 h GLU 81 CO 0.35 0.04 -0.02 0.87 0.07 0.00 0.00 179.01 180.32 1x37 h LYS 82 N 0.00 -0.04 -1.06 1.06 1.57 -2.00 -3.31 116.57 112.78 1x37 h LYS 82 Ca -0.00 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1x37 h LYS 82 Cb 0.18 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.37 1x37 h LYS 82 CO 0.01 -0.03 0.65 -0.97 -0.57 0.00 0.00 179.45 178.54 1x37 h ASN 83 N -0.68 0.49 -0.98 0.86 -0.73 -1.89 0.17 115.58 112.81 1x37 h ASN 83 Ca -0.00 0.14 0.33 0.00 1.87 0.00 0.00 56.30 58.64 1x37 h ASN 83 Cb 0.03 0.08 -0.18 0.00 0.27 0.00 0.00 38.32 38.52 1x37 h ASN 83 CO 0.01 -0.03 0.24 -0.11 -0.37 0.00 0.00 177.43 177.17 1x37 n LEU 84 N -4.84 0.09 -0.32 0.34 0.00 -0.62 0.26 117.00 111.90 1x37 n LEU 84 Ca 0.30 1.66 -0.03 0.00 0.00 0.00 0.00 56.01 57.94 1x37 n LEU 84 Cb 0.98 -0.69 0.12 0.00 0.00 0.00 0.00 43.42 43.82 1x37 n LEU 84 CO 0.17 -1.76 1.21 1.56 0.00 0.00 0.00 177.39 178.57 1x37 h GLN 85 N 0.00 1.23 -0.79 1.96 4.20 -0.80 0.18 115.11 121.09 1x37 h GLN 85 Ca 0.70 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 59.25 1x37 h GLN 85 Cb 1.66 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 1x37 h GLN 85 CO -0.85 0.87 0.34 -0.44 -0.67 0.00 0.00 178.83 178.08 1x37 h ASP 86 N 1.24 1.06 0.00 1.46 3.32 0.34 0.69 116.42 124.53 1x37 h ASP 86 Ca 0.32 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1x37 h ASP 86 Cb -0.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1x37 h ASP 86 CO -0.06 0.92 0.00 0.49 -1.72 0.00 0.00 179.24 178.88 1x37 n PHE 87 N -4.29 0.00 0.22 4.55 3.72 -0.67 -4.51 117.46 116.48 1x37 n PHE 87 Ca 0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1x37 n PHE 87 Cb 0.17 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.19 1x37 n PHE 87 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x37 h ILE 88 N 0.00 0.48 -5.37 4.37 2.04 -0.78 -3.45 117.51 114.81 1x37 h ILE 88 Ca 0.00 -0.49 -0.23 0.00 1.00 0.00 0.00 64.86 65.14 1x37 h ILE 88 Cb 0.00 0.68 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 1x37 h ILE 88 CO 0.00 0.08 -0.33 0.61 0.00 0.00 0.00 178.15 178.50 1x37 n GLY 89 N -0.44 -0.48 2.85 5.37 0.00 0.24 -4.79 105.19 107.95 1x37 n GLY 89 Ca -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1x37 n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x37 s LYS 90 N -5.65 0.52 0.14 1.61 2.47 -1.26 -5.04 119.74 112.52 1x37 s LYS 90 Ca 0.25 -0.34 -0.01 0.00 -1.56 0.00 0.00 55.97 54.30 1x37 s LYS 90 Cb -0.14 0.02 0.03 0.00 -1.46 0.00 0.00 37.83 36.28 1x37 s LYS 90 CO 0.30 -0.69 0.18 2.89 0.16 0.00 0.00 175.35 178.20 1x37 n ARG 91 N 3.46 0.18 0.00 4.03 0.00 -1.26 -5.05 116.66 118.01 1x37 n ARG 91 Ca 0.11 -0.39 0.00 0.00 -0.00 0.00 0.00 57.85 57.57 1x37 n ARG 91 Cb 0.61 -0.16 0.00 0.00 -0.00 0.00 0.00 32.46 32.91 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1x37 n ILE 92 N -1.93 0.00 -2.40 8.89 5.41 -1.26 -4.92 119.36 123.15 1x37 n ILE 92 Ca 0.03 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.35 1x37 n ILE 92 Cb 0.09 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 1x37 n ILE 92 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1x37 n PHE 93 N -1.80 4.08 -2.49 1.39 3.01 -1.26 -4.86 117.46 115.53 1x37 n PHE 93 Ca 0.00 -2.99 -0.43 0.00 1.01 0.00 0.00 57.45 55.04 1x37 n PHE 93 Cb 0.11 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 1x37 n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1x37 n ARG 94 N 6.18 3.67 0.00 -1.08 1.74 -1.26 -4.99 116.66 120.92 1x37 n ARG 94 Ca 0.45 -3.67 0.15 0.00 -0.77 0.00 0.00 57.85 54.00 1x37 n ARG 94 Cb 0.41 -2.90 0.88 0.00 -1.02 0.00 0.00 32.46 29.84 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09