#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 -1.16 3.59 0.00 0.00 -1.26 -5.11 105.19 101.25 1x37 n GLY 2 Ca 0.00 0.89 -0.42 0.00 0.00 0.00 0.00 46.02 46.48 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 2.61 0.08 1.61 2.02 -1.26 -4.99 117.35 117.43 1x37 s TYR 3 Ca 0.00 0.54 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 1x37 s TYR 3 Cb 0.00 -4.46 -0.04 0.00 -0.40 0.00 0.00 41.96 37.06 1x37 s TYR 3 CO 0.00 -1.58 0.20 0.95 -1.57 0.00 0.00 175.55 173.56 1x37 s THR 4 N 4.99 5.24 0.27 -0.71 -4.23 -1.26 -4.92 115.64 115.02 1x37 s THR 4 Ca 0.48 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1x37 s THR 4 Cb -0.08 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.46 1x37 s THR 4 CO 0.28 0.08 1.66 -0.33 -0.54 0.00 0.00 174.62 175.77 1x37 h GLU 5 N 2.90 0.21 -0.59 3.99 4.39 -1.99 0.29 114.58 123.79 1x37 h GLU 5 Ca -0.46 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.14 1x37 h GLU 5 Cb 1.17 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1x37 h GLU 5 CO 0.73 0.14 0.02 -0.84 -1.16 0.00 0.00 179.01 177.90 1x37 h ILE 6 N 0.22 1.26 0.68 3.13 3.07 -1.98 -1.49 117.51 122.40 1x37 h ILE 6 Ca 0.50 -1.11 -0.03 0.00 1.55 0.00 0.00 64.86 65.77 1x37 h ILE 6 Cb 0.94 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1x37 h ILE 6 CO -0.61 0.40 -0.35 -0.33 -1.05 0.00 0.00 178.15 176.20 1x37 h GLU 7 N 0.91 -0.91 -1.00 0.16 5.08 -0.87 0.69 114.58 118.64 1x37 h GLU 7 Ca 0.17 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.80 1x37 h GLU 7 Cb 0.52 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 1x37 h GLU 7 CO 0.03 -0.61 0.61 0.87 -1.00 0.00 0.00 179.01 178.91 1x37 h LYS 8 N -0.95 0.67 -0.19 2.33 1.57 -1.18 -0.32 116.57 118.51 1x37 h LYS 8 Ca -0.09 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1x37 h LYS 8 Cb 0.74 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1x37 h LYS 8 CO 0.14 0.45 0.06 1.25 -0.57 0.00 0.00 179.45 180.77 1x37 h LEU 9 N 0.70 0.28 0.52 2.94 6.46 -0.89 0.16 115.31 125.48 1x37 h LEU 9 Ca 0.60 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 58.14 1x37 h LEU 9 Cb 1.02 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1x37 h LEU 9 CO -0.40 0.41 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.12 1x37 h GLU 10 N 0.14 -0.84 0.53 1.25 4.39 0.84 -1.22 114.58 119.66 1x37 h GLU 10 Ca 0.06 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1x37 h GLU 10 Cb 0.23 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1x37 h GLU 10 CO -0.00 -0.56 -0.25 -0.84 -1.16 0.00 0.00 179.01 176.20 1x37 h ILE 11 N -0.87 0.00 -1.15 3.13 3.07 -1.34 0.15 117.51 120.49 1x37 h ILE 11 Ca -0.06 -0.16 0.44 0.00 1.55 0.00 0.00 64.86 66.63 1x37 h ILE 11 Cb 0.73 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 37.13 1x37 h ILE 11 CO 0.02 0.00 0.69 0.52 -1.05 0.00 0.00 178.15 178.32 1x37 n VAL 12 N -4.35 -0.34 -0.07 0.16 0.31 0.57 -0.13 118.33 114.48 1x37 n VAL 12 Ca -0.09 1.89 -0.12 0.00 -0.01 0.00 0.00 64.34 66.02 1x37 n VAL 12 Cb 0.28 -3.09 -0.09 0.00 -0.91 0.00 0.00 33.84 30.03 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 0.00 0.11 5.55 3.64 -1.08 -3.22 116.57 121.57 1x37 h LYS 13 Ca 0.85 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.22 1x37 h LYS 13 Cb 2.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.30 1x37 h LYS 13 CO -0.62 0.74 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.81 1x37 h ASP 14 N -1.00 -0.12 -1.09 4.20 5.19 0.15 -3.17 116.42 120.57 1x37 h ASP 14 Ca -0.05 0.00 0.41 0.00 -0.62 0.00 0.00 57.03 56.77 1x37 h ASP 14 Cb 0.81 0.03 -0.16 0.00 0.18 0.00 0.00 39.33 40.19 1x37 h ASP 14 CO -0.03 -0.07 0.63 1.12 -3.12 0.00 0.00 179.24 177.77 1x37 h HIS 15 N -0.19 0.77 -1.07 4.55 2.07 -0.72 0.13 115.15 120.69 1x37 h HIS 15 Ca -0.01 0.04 0.43 0.00 -2.85 0.00 0.00 60.37 57.97 1x37 h HIS 15 Cb 0.11 -0.18 -0.17 0.00 2.57 0.00 0.00 27.41 29.73 1x37 h HIS 15 CO 0.14 -0.35 0.60 -0.11 -3.07 0.00 0.00 177.93 175.14 1x37 n LEU 16 N -5.07 0.33 0.06 6.12 -0.00 -1.20 -0.41 117.00 116.82 1x37 n LEU 16 Ca 0.37 1.61 -0.02 0.00 -0.00 0.00 0.00 56.01 57.97 1x37 n LEU 16 Cb 1.28 -0.79 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 1x37 n LEU 16 CO 0.08 -1.80 0.37 -0.07 -0.00 0.00 0.00 177.39 175.96 1x37 h LEU 17 N 0.00 -0.12 -0.43 -1.96 3.38 -0.89 -3.14 115.31 112.14 1x37 h LEU 17 Ca 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.82 1x37 h LEU 17 Cb 2.36 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 43.12 1x37 h LEU 17 CO -0.72 -0.07 0.22 1.55 0.09 0.00 0.00 178.44 179.52 1x37 h PRO 18 N -0.19 0.61 0.00 1.13 0.13 -1.56 -1.81 132.00 130.31 1x37 h PRO 18 Ca -0.02 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1x37 h PRO 18 Cb 0.11 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x37 h PRO 18 CO 0.02 0.51 0.00 1.17 -0.23 0.00 0.00 178.00 179.47 1x37 n LYS 19 N -4.69 0.00 0.05 0.86 0.00 0.45 -0.37 118.16 114.46 1x37 n LYS 19 Ca 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 58.31 58.75 1x37 n LYS 19 Cb 0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 35.03 33.78 1x37 n LYS 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x37 h GLN 20 N 0.00 -0.39 -1.10 1.64 1.08 -1.64 -1.35 115.11 113.35 1x37 h GLN 20 Ca 0.00 0.03 0.33 0.00 -1.45 0.00 0.00 58.65 57.56 1x37 h GLN 20 Cb 0.00 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 27.40 1x37 h GLN 20 CO 0.00 -0.26 0.68 0.82 -0.95 0.00 0.00 178.83 179.12 1x37 h ILE 21 N -0.41 0.34 0.00 2.54 1.08 -1.22 0.16 117.51 120.00 1x37 h ILE 21 Ca 0.07 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1x37 h ILE 21 Cb 0.51 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1x37 h ILE 21 CO -0.26 0.05 0.00 1.17 -0.69 0.00 0.00 178.15 178.43 1x37 n LYS 22 N -4.81 0.00 -0.35 2.37 4.81 0.50 0.47 118.16 121.16 1x37 n LYS 22 Ca 0.31 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 58.05 1x37 n LYS 22 Cb 1.05 -0.69 0.56 0.00 0.02 0.00 0.00 35.03 35.97 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 0.14 0.18 1.64 4.57 -1.50 1.42 114.58 121.03 1x37 h GLU 23 Ca 0.00 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.86 1x37 h GLU 23 Cb 0.00 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1x37 h GLU 23 CO 0.00 0.09 -1.42 0.45 -1.18 0.00 0.00 179.01 176.95 1x37 h HIS 24 N 0.14 0.69 -1.25 0.92 3.86 -0.77 -3.29 115.15 115.45 1x37 h HIS 24 Ca 0.80 -0.50 0.45 0.00 -1.16 0.00 0.00 60.37 59.96 1x37 h HIS 24 Cb 2.10 -0.03 -0.14 0.00 1.06 0.00 0.00 27.41 30.40 1x37 h HIS 24 CO -0.01 1.44 0.78 0.41 0.86 0.00 0.00 177.93 181.41 1x37 n GLY 25 N 1.65 -0.79 0.28 2.45 0.00 1.70 -0.14 105.19 110.34 1x37 n GLY 25 Ca -0.14 0.74 0.27 0.00 0.00 0.00 0.00 46.02 46.89 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 -4.75 0.27 -4.87 0.99 4.32 -1.06 -4.02 117.00 107.89 1x37 n LEU 26 Ca 0.38 1.33 -0.28 0.00 -0.02 0.00 0.00 56.01 57.42 1x37 n LEU 26 Cb 1.45 -0.65 -0.05 0.00 -1.62 0.00 0.00 43.42 42.56 1x37 n LEU 26 CO 0.14 -1.48 -0.17 -0.54 -1.22 0.00 0.00 177.39 174.12 1x37 s LYS 27 N -5.20 3.21 0.37 3.23 -0.14 0.80 -5.04 119.74 116.98 1x37 s LYS 27 Ca -0.07 -0.63 -0.22 0.00 -1.36 0.00 0.00 55.97 53.69 1x37 s LYS 27 Cb 0.28 -2.87 -0.16 0.00 -1.68 0.00 0.00 37.83 33.40 1x37 s LYS 27 CO 0.65 0.55 0.20 0.36 -0.76 0.00 0.00 175.35 176.35 1x37 n LYS 28 N -0.05 0.06 -1.16 1.68 2.85 -1.26 -4.25 118.16 116.04 1x37 n LYS 28 Ca -0.07 0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 56.96 1x37 n LYS 28 Cb 0.53 -1.05 -0.14 0.00 -0.65 0.00 0.00 35.03 33.71 1x37 n LYS 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x37 n SER 29 N 2.17 -0.37 -2.09 -5.58 7.64 -1.26 -4.71 113.62 109.42 1x37 n SER 29 Ca 0.12 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 1x37 n SER 29 Cb 0.38 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x37 n ASN 30 N 6.42 5.49 -3.57 6.43 4.05 -1.26 -3.10 115.26 129.72 1x37 n ASN 30 Ca 0.52 -3.76 -0.16 0.00 0.45 0.00 0.00 54.58 51.63 1x37 n ASN 30 Cb 0.06 -0.47 -0.06 0.00 1.23 0.00 0.00 39.78 40.54 1x37 n ASN 30 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1x37 s LEU 31 N -3.65 -0.67 -0.44 1.20 2.34 -1.26 -3.95 118.68 112.25 1x37 s LEU 31 Ca 0.54 1.00 0.06 0.00 0.06 0.00 0.00 54.13 55.79 1x37 s LEU 31 Cb 0.43 2.45 0.18 0.00 -0.56 0.00 0.00 46.19 48.68 1x37 s LEU 31 CO 0.02 -0.43 0.56 -1.10 -1.06 0.00 0.00 176.35 174.34 1x37 s GLN 32 N -0.49 0.88 -0.19 1.48 -0.21 0.57 -4.55 119.66 117.15 1x37 s GLN 32 Ca -0.05 -1.00 -0.19 0.00 0.02 0.00 0.00 55.36 54.13 1x37 s GLN 32 Cb -0.02 -0.40 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 1x37 s GLN 32 CO 0.05 -1.27 0.56 -0.51 -2.12 0.00 0.00 175.29 172.00 1x37 s LEU 33 N 1.10 4.16 0.00 2.90 1.02 -1.26 -1.01 118.68 125.60 1x37 s LEU 33 Ca 0.24 0.76 -0.04 0.00 0.02 0.00 0.00 54.13 55.10 1x37 s LEU 33 Cb -0.04 -2.78 0.06 0.00 0.02 0.00 0.00 46.19 43.44 1x37 s LEU 33 CO -0.07 -0.20 0.33 0.54 0.02 0.00 0.00 176.35 176.97 1x37 n ARG 34 N 4.75 -0.39 0.09 1.70 1.74 -1.25 -4.93 116.66 118.37 1x37 n ARG 34 Ca -0.04 -0.50 -0.22 0.00 -0.77 0.00 0.00 57.85 56.32 1x37 n ARG 34 Cb 0.50 -0.34 -0.14 0.00 -1.02 0.00 0.00 32.46 31.46 1x37 n ARG 34 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x37 h ASP 35 N -0.49 0.70 -0.83 0.55 3.32 -1.97 -3.22 116.42 114.48 1x37 h ASP 35 Ca -0.11 -0.90 -0.03 0.00 0.02 0.00 0.00 57.03 56.02 1x37 h ASP 35 Cb 0.29 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1x37 h ASP 35 CO 0.07 1.54 0.39 1.56 -1.72 0.00 0.00 179.24 181.08 1x37 h GLN 36 N -0.03 1.20 -0.07 3.56 4.20 -1.94 -1.86 115.11 120.17 1x37 h GLN 36 Ca -0.19 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.36 1x37 h GLN 36 Cb 1.85 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1x37 h GLN 36 CO 0.21 0.93 -0.05 0.00 -0.67 0.00 0.00 178.83 179.24 1x37 h ALA 37 N 1.24 0.00 0.85 3.87 0.00 -1.81 -0.43 119.26 122.99 1x37 h ALA 37 Ca 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1x37 h ALA 37 Cb 0.13 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x37 h ALA 37 CO -0.03 -0.53 -0.41 0.82 0.00 0.00 0.00 179.25 179.10 1x37 h ILE 38 N -0.06 0.14 -0.54 0.00 2.04 -1.52 -2.02 117.51 115.55 1x37 h ILE 38 Ca 0.05 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1x37 h ILE 38 Cb 0.13 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.25 1x37 h ILE 38 CO -0.11 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 177.58 1x37 h LEU 39 N -1.18 -1.37 -0.47 1.44 3.38 -1.23 -0.24 115.31 115.64 1x37 h LEU 39 Ca -0.12 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1x37 h LEU 39 Cb 0.88 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 42.18 1x37 h LEU 39 CO 0.19 -0.33 -0.07 0.44 0.09 0.00 0.00 178.44 178.76 1x37 h ASP 40 N -0.23 -0.35 0.00 -0.43 5.19 -1.00 0.21 116.42 119.81 1x37 h ASP 40 Ca 0.18 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1x37 h ASP 40 Cb 0.56 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1x37 h ASP 40 CO -0.66 -0.12 0.00 -0.38 -3.12 0.00 0.00 179.24 174.96 1x37 n ILE 41 N -5.30 0.00 -0.27 0.35 5.41 -0.13 -1.16 119.36 118.26 1x37 n ILE 41 Ca 0.04 0.98 0.06 0.00 1.00 0.00 0.00 62.75 64.83 1x37 n ILE 41 Cb 0.26 -1.77 0.16 0.00 -0.71 0.00 0.00 39.64 37.58 1x37 n ILE 41 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1x37 h ILE 42 N 0.00 0.27 -1.03 1.39 5.03 -1.47 0.43 117.51 122.14 1x37 h ILE 42 Ca 0.00 -0.02 0.30 0.00 -0.12 0.00 0.00 64.86 65.01 1x37 h ILE 42 Cb 0.00 0.19 -0.13 0.00 -3.03 0.00 0.00 36.82 33.85 1x37 h ILE 42 CO 0.00 0.01 0.61 0.03 -0.68 0.00 0.00 178.15 178.12 1x37 h ARG 43 N 0.07 0.39 0.18 2.37 2.47 -0.38 1.61 114.38 121.10 1x37 h ARG 43 Ca 0.43 -0.02 -0.31 0.00 -1.26 0.00 0.00 59.98 58.81 1x37 h ARG 43 Cb 0.76 -0.09 0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1x37 h ARG 43 CO -0.73 0.26 -1.35 1.88 0.56 0.00 0.00 179.97 180.59 1x37 h TYR 44 N 0.40 0.92 0.00 3.04 -1.99 0.14 -3.40 116.97 116.08 1x37 h TYR 44 Ca 0.69 -0.63 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1x37 h TYR 44 Cb 1.57 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.25 1x37 h TYR 44 CO -0.01 1.48 0.00 0.66 -0.00 0.00 0.00 178.16 180.30 1x37 n TYR 45 N -3.72 0.00 -0.53 4.88 4.02 0.81 -4.07 117.16 118.55 1x37 n TYR 45 Ca -0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.73 1x37 n TYR 45 Cb 1.04 -0.37 -0.01 0.00 -0.02 0.00 0.00 39.34 39.99 1x37 n TYR 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1x37 n THR 46 N -1.96 0.00 -2.22 -0.72 -1.04 0.52 -4.86 114.28 103.99 1x37 n THR 46 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1x37 n THR 46 Cb 0.00 -0.45 0.12 0.00 -1.82 0.00 0.00 70.33 68.18 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 -1.09 1.50 0.14 -2.82 1.70 -1.26 -4.86 118.95 112.26 1x37 s ARG 47 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1x37 s ARG 47 Cb 0.00 -2.11 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 1x37 s ARG 47 CO 0.00 -1.71 0.00 0.39 -1.08 0.00 0.00 175.30 172.90 1x37 n GLU 48 N -3.19 -5.53 -1.98 3.89 4.71 -1.26 -4.68 120.64 112.60 1x37 n GLU 48 Ca 0.13 3.94 -0.42 0.00 -0.01 0.00 0.00 57.16 60.80 1x37 n GLU 48 Cb 0.60 -4.49 0.00 0.00 -1.01 0.00 0.00 31.44 26.54 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x37 n ALA 49 N 1.90 5.62 -3.64 0.62 0.00 -1.26 -4.82 120.51 118.93 1x37 n ALA 49 Ca 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 53.44 49.34 1x37 n ALA 49 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.12 1x37 n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x37 s GLY 50 N 2.03 0.21 0.12 0.00 0.00 -1.26 -5.04 107.32 103.38 1x37 s GLY 50 Ca 0.45 3.22 -0.11 0.00 0.00 0.00 0.00 44.72 48.28 1x37 s GLY 50 CO -0.05 1.72 1.35 -0.39 0.00 0.00 0.00 173.10 175.74 1x37 h VAL 51 N 2.91 1.28 -1.00 1.40 -1.51 -1.97 -3.24 116.25 114.13 1x37 h VAL 51 Ca -0.23 -1.90 0.23 0.00 -1.23 0.00 0.00 66.70 63.57 1x37 h VAL 51 Cb 1.19 1.87 -0.19 0.00 -2.13 0.00 0.00 31.29 32.03 1x37 h VAL 51 CO 0.19 0.61 -0.14 0.03 -1.23 0.00 0.00 177.57 177.02 1x37 h ARG 52 N 0.56 0.00 0.36 5.19 2.47 -1.98 0.34 114.38 121.32 1x37 h ARG 52 Ca -0.03 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1x37 h ARG 52 Cb 1.32 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1x37 h ARG 52 CO 0.15 0.00 -0.17 0.77 0.56 0.00 0.00 179.97 181.27 1x37 h SER 53 N 0.00 -0.41 -0.30 7.04 0.02 -1.95 -1.49 113.55 116.46 1x37 h SER 53 Ca 0.53 -0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.47 1x37 h SER 53 Cb 0.94 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 1x37 h SER 53 CO -0.99 -0.17 -0.35 -0.07 -1.14 0.00 0.00 176.83 174.11 1x37 h LEU 54 N -0.64 -1.15 -1.11 5.07 3.38 -0.57 0.47 115.31 120.75 1x37 h LEU 54 Ca -0.05 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.32 1x37 h LEU 54 Cb 0.46 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 1x37 h LEU 54 CO 0.08 -0.35 0.62 -0.08 0.09 0.00 0.00 178.44 178.80 1x37 h GLU 55 N -0.33 0.60 -0.03 1.13 4.22 -0.46 0.21 114.58 119.92 1x37 h GLU 55 Ca 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 1x37 h GLU 55 Cb 0.56 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1x37 h GLU 55 CO -0.48 0.40 0.00 -0.09 -2.18 0.00 0.00 179.01 176.66 1x37 h ARG 56 N 0.62 0.05 -0.98 1.92 2.43 0.92 0.20 114.38 119.54 1x37 h ARG 56 Ca 0.59 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1x37 h ARG 56 Cb 1.13 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1x37 h ARG 56 CO -0.38 0.32 0.63 1.96 -1.51 0.00 0.00 179.97 181.00 1x37 h GLN 57 N -0.22 1.30 0.07 0.20 7.50 0.86 -0.71 115.11 124.11 1x37 h GLN 57 Ca 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 1x37 h GLN 57 Cb 0.30 -0.29 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1x37 h GLN 57 CO 0.00 0.87 -0.03 -0.07 -1.50 0.00 0.00 178.83 178.10 1x37 h LEU 58 N 1.33 -0.08 -1.23 1.46 3.38 -0.48 -1.91 115.31 117.78 1x37 h LEU 58 Ca 0.36 -0.28 0.21 0.00 0.09 0.00 0.00 57.88 58.25 1x37 h LEU 58 Cb -0.12 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1x37 h LEU 58 CO -0.07 0.24 0.62 0.00 0.09 0.00 0.00 178.44 179.32 1x37 h ALA 59 N 0.48 1.93 0.82 1.53 0.00 -0.27 0.16 119.26 123.91 1x37 h ALA 59 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1x37 h ALA 59 Cb 0.36 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x37 h ALA 59 CO 0.02 -0.28 -0.39 0.00 0.00 0.00 0.00 179.25 178.59 1x37 h ALA 60 N 1.63 -1.10 -0.79 0.00 0.00 -0.65 -1.27 119.26 117.07 1x37 h ALA 60 Ca 0.55 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1x37 h ALA 60 Cb 1.08 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1x37 h ALA 60 CO -0.30 -1.06 0.52 0.97 0.00 0.00 0.00 179.25 179.37 1x37 h ILE 61 N -1.20 1.16 0.00 0.00 2.10 -0.54 0.21 117.51 119.24 1x37 h ILE 61 Ca -0.11 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1x37 h ILE 61 Cb 0.85 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 1x37 h ILE 61 CO 0.18 0.19 0.00 0.00 -1.08 0.00 0.00 178.15 177.44 1x37 h ARG 63 N 0.00 0.13 -1.03 0.00 3.08 -1.27 0.36 114.38 115.65 1x37 h ARG 63 Ca 0.00 -0.01 0.36 0.00 0.07 0.00 0.00 59.98 60.40 1x37 h ARG 63 Cb 0.00 -0.03 -0.15 0.00 0.08 0.00 0.00 29.97 29.87 1x37 h ARG 63 CO 0.00 0.09 0.59 -0.22 -1.07 0.00 0.00 179.97 179.35 1x37 h LYS 64 N 0.13 0.21 -0.21 0.04 3.64 -0.56 3.47 116.57 123.30 1x37 h LYS 64 Ca 0.24 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.44 1x37 h LYS 64 Cb 0.35 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1x37 h LYS 64 CO -0.38 0.14 -0.56 0.00 -2.27 0.00 0.00 179.45 176.39 1x37 h ALA 65 N 1.87 0.64 0.80 5.00 0.00 0.96 -2.49 119.26 126.03 1x37 h ALA 65 Ca 0.77 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1x37 h ALA 65 Cb 1.90 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.62 1x37 h ALA 65 CO -0.63 0.69 -0.38 0.00 0.00 0.00 0.00 179.25 178.92 1x37 h ALA 66 N 0.90 -1.07 -0.99 0.00 0.00 0.78 -2.82 119.26 116.05 1x37 h ALA 66 Ca 0.01 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.85 1x37 h ALA 66 Cb 1.12 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1x37 h ALA 66 CO 0.11 -1.05 0.62 -0.22 0.00 0.00 0.00 179.25 178.70 1x37 h LYS 67 N -1.18 0.78 0.00 0.00 3.11 -0.76 0.48 116.57 119.01 1x37 h LYS 67 Ca -0.11 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1x37 h LYS 67 Cb 0.84 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1x37 h LYS 67 CO 0.18 0.52 0.07 0.00 -2.81 0.00 0.00 179.45 177.41 1x37 n ALA 68 N -2.35 0.90 0.00 5.00 0.00 -0.94 -1.91 120.51 121.21 1x37 n ALA 68 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1x37 n ALA 68 Cb 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1x37 n ALA 68 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1x37 n ILE 69 N -1.10 0.73 -0.04 0.00 3.06 0.17 -2.67 119.36 119.51 1x37 n ILE 69 Ca 0.00 0.19 0.24 0.00 -2.50 0.00 0.00 62.75 60.68 1x37 n ILE 69 Cb 0.07 -1.19 0.67 0.00 0.54 0.00 0.00 39.64 39.73 1x37 n ILE 69 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1x37 h VAL 70 N 0.00 0.27 -2.71 9.51 3.04 -1.63 -3.41 116.25 121.31 1x37 h VAL 70 Ca 0.00 0.00 -0.44 0.00 -1.01 0.00 0.00 66.70 65.25 1x37 h VAL 70 Cb 0.01 0.44 0.23 0.00 -2.01 0.00 0.00 31.29 29.95 1x37 h VAL 70 CO 0.00 0.00 -0.53 0.00 -1.01 0.00 0.00 177.57 176.03 1x37 n ALA 71 N -2.36 -3.65 -1.00 3.17 0.00 -1.09 -4.99 120.51 110.59 1x37 n ALA 71 Ca 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1x37 n ALA 71 Cb 0.95 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1x37 n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x37 n GLU 72 N -3.69 0.00 -2.44 0.00 -0.58 -1.26 -4.75 120.64 107.92 1x37 n GLU 72 Ca 0.01 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.34 1x37 n GLU 72 Cb 0.58 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.41 1x37 n GLU 72 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x37 s GLU 73 N 0.00 4.53 -0.37 3.49 2.02 -1.26 -4.98 118.70 122.14 1x37 s GLU 73 Ca 0.00 1.79 -0.02 0.00 0.02 0.00 0.00 54.97 56.76 1x37 s GLU 73 Cb 0.00 -3.27 0.19 0.00 0.10 0.00 0.00 34.13 31.15 1x37 s GLU 73 CO 0.00 -0.03 0.90 0.50 0.02 0.00 0.00 175.26 176.64 1x37 s ARG 74 N -0.17 0.46 -0.02 1.61 3.52 -1.26 -5.15 118.95 117.93 1x37 s ARG 74 Ca 0.52 -0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.84 1x37 s ARG 74 Cb -0.31 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 1x37 s ARG 74 CO 0.35 -0.64 0.23 0.15 -0.81 0.00 0.00 175.30 174.58 1x37 s LYS 75 N 1.73 3.54 -0.08 5.12 -0.14 -1.26 -4.76 119.74 123.88 1x37 s LYS 75 Ca 0.17 -0.11 -0.04 0.00 -1.36 0.00 0.00 55.97 54.63 1x37 s LYS 75 Cb 0.02 -3.11 0.01 0.00 -1.68 0.00 0.00 37.83 33.07 1x37 s LYS 75 CO -0.11 0.69 0.07 0.54 -0.76 0.00 0.00 175.35 175.78 1x37 n ARG 76 N 1.31 -2.30 -2.71 1.68 1.74 -1.18 -4.78 116.66 110.42 1x37 n ARG 76 Ca -0.13 1.95 -0.43 0.00 -0.77 0.00 0.00 57.85 58.47 1x37 n ARG 76 Cb 0.53 -2.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.47 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x37 s ILE 77 N -0.49 4.20 -0.02 0.55 1.01 -1.25 -4.80 121.20 120.40 1x37 s ILE 77 Ca -0.08 0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 1x37 s ILE 77 Cb 0.01 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 1x37 s ILE 77 CO 0.30 -1.23 1.00 -0.89 0.00 0.00 0.00 174.94 174.12 1x37 s THR 78 N 4.46 4.79 -0.26 2.92 2.01 -1.26 -0.32 115.64 127.98 1x37 s THR 78 Ca 0.37 2.02 -0.09 0.00 0.31 0.00 0.00 61.69 64.30 1x37 s THR 78 Cb -0.10 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 1x37 s THR 78 CO 0.22 0.12 0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 1x37 s VAL 79 N 1.25 4.63 0.44 3.82 1.01 -0.18 -4.94 120.40 126.43 1x37 s VAL 79 Ca 0.52 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.48 1x37 s VAL 79 Cb -0.21 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1x37 s VAL 79 CO 0.26 0.29 0.60 0.42 0.00 0.00 0.00 175.10 176.67 1x37 s THR 80 N 1.66 2.95 0.05 3.92 -4.23 -1.26 -3.75 115.64 114.98 1x37 s THR 80 Ca 0.06 -0.97 0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1x37 s THR 80 Cb -0.15 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1x37 s THR 80 CO 0.06 0.00 1.76 1.05 -0.54 0.00 0.00 174.62 176.95 1x37 h GLU 81 N 0.57 0.00 0.01 3.99 9.09 -1.91 -2.22 114.58 124.12 1x37 h GLU 81 Ca -0.40 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 58.64 1x37 h GLU 81 Cb 1.28 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.33 1x37 h GLU 81 CO 0.46 0.00 -2.06 1.63 0.05 0.00 0.00 179.01 179.08 1x37 n LYS 82 N -2.42 0.60 -0.34 1.06 4.76 -1.26 -4.30 118.16 116.26 1x37 n LYS 82 Ca -0.02 0.36 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 1x37 n LYS 82 Cb 0.10 -1.60 0.35 0.00 -1.84 0.00 0.00 35.03 32.04 1x37 n LYS 82 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1x37 h ASN 83 N -0.82 0.74 -1.06 4.39 -0.73 -1.80 0.78 115.58 117.08 1x37 h ASN 83 Ca -0.55 0.09 0.34 0.00 1.87 0.00 0.00 56.30 58.05 1x37 h ASN 83 Cb 1.57 -0.05 -0.14 0.00 0.27 0.00 0.00 38.32 39.97 1x37 h ASN 83 CO -0.28 0.27 0.62 0.17 -0.37 0.00 0.00 177.43 177.84 1x37 h LEU 84 N 0.72 0.46 -0.10 0.34 8.10 -1.61 0.57 115.31 123.79 1x37 h LEU 84 Ca 0.56 0.18 -0.01 0.00 0.11 0.00 0.00 57.88 58.71 1x37 h LEU 84 Cb 0.93 0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 41.28 1x37 h LEU 84 CO -0.35 -0.14 0.01 1.56 -4.11 0.00 0.00 178.44 175.42 1x37 h GLN 85 N 0.27 0.18 -0.95 0.17 4.20 -1.07 0.13 115.11 118.04 1x37 h GLN 85 Ca 0.74 -0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.61 1x37 h GLN 85 Cb 1.84 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 29.49 1x37 h GLN 85 CO -0.55 0.39 0.52 -0.44 -0.67 0.00 0.00 178.83 178.08 1x37 h ASP 86 N -0.07 0.59 0.00 1.46 3.32 0.10 1.86 116.42 123.69 1x37 h ASP 86 Ca 0.03 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1x37 h ASP 86 Cb 0.31 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x37 h ASP 86 CO 0.00 0.14 0.00 0.49 -1.72 0.00 0.00 179.24 178.15 1x37 n PHE 87 N -4.89 0.00 -0.10 4.55 3.72 -0.73 -4.37 117.46 115.65 1x37 n PHE 87 Ca 0.23 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.56 1x37 n PHE 87 Cb 0.63 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.34 -3.26 4.37 2.04 -0.74 -3.48 117.51 116.77 1x37 h ILE 88 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1x37 h ILE 88 Cb 0.00 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1x37 h ILE 88 CO 0.00 0.00 -0.79 0.61 0.00 0.00 0.00 178.15 177.97 1x37 n GLY 89 N -1.40 -4.51 6.96 5.37 0.00 0.63 -4.94 105.19 107.31 1x37 n GLY 89 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1x37 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x37 n LYS 90 N -0.57 -0.01 0.00 1.61 4.81 -1.26 -5.05 118.16 117.69 1x37 n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x37 n LYS 90 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.04 1x37 n LYS 90 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1x37 n ARG 91 N -0.79 0.00 0.00 1.64 1.85 -1.26 -5.00 116.66 113.10 1x37 n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1x37 n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1x37 n ILE 92 N 0.00 0.00 -2.25 8.89 5.41 -1.26 -5.04 119.36 125.11 1x37 n ILE 92 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1x37 n ILE 92 Cb 0.00 -0.37 -0.03 0.00 -0.71 0.00 0.00 39.64 38.53 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x37 s PHE 93 N -0.58 3.18 -1.15 1.39 0.08 -1.26 -4.92 117.98 114.71 1x37 s PHE 93 Ca 0.00 1.00 -0.18 0.00 0.12 0.00 0.00 56.93 57.87 1x37 s PHE 93 Cb 0.00 -3.61 0.10 0.00 -0.57 0.00 0.00 43.02 38.94 1x37 s PHE 93 CO 0.00 -2.13 1.50 1.03 -0.10 0.00 0.00 175.22 175.51 1x37 s ARG 94 N 1.47 3.86 0.00 0.44 0.52 -1.26 -5.07 118.95 118.91 1x37 s ARG 94 Ca 0.63 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1x37 s ARG 94 Cb -0.33 -5.28 0.00 0.00 0.52 0.00 0.00 34.95 29.86 1x37 s ARG 94 CO 0.29 -2.04 0.00 0.66 0.02 0.00 0.00 175.30 174.23