#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 s GLY 2 N 0.00 -1.69 -0.74 0.00 0.00 -1.26 -5.09 107.32 98.54 1x37 s GLY 2 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 44.72 45.86 1x37 s GLY 2 CO 0.00 4.45 1.60 -0.19 0.00 0.00 0.00 173.10 178.96 1x37 s TYR 3 N 1.82 2.02 0.34 1.90 2.02 -1.26 -4.97 117.35 119.22 1x37 s TYR 3 Ca 0.15 0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 56.86 1x37 s TYR 3 Cb 0.07 -4.37 -0.10 0.00 -0.40 0.00 0.00 41.96 37.16 1x37 s TYR 3 CO -0.16 -2.11 0.95 0.95 -1.57 0.00 0.00 175.55 173.61 1x37 s THR 4 N 7.42 4.21 0.31 -0.71 -4.23 -1.26 -4.90 115.64 116.48 1x37 s THR 4 Ca 0.52 1.75 0.08 0.00 -1.18 0.00 0.00 61.69 62.87 1x37 s THR 4 Cb -0.09 -3.93 0.31 0.00 1.34 0.00 0.00 72.50 70.13 1x37 s THR 4 CO 0.12 0.06 1.69 -0.08 -0.54 0.00 0.00 174.62 175.88 1x37 h GLU 5 N 2.94 0.41 -0.13 3.99 4.57 -2.00 0.15 114.58 124.50 1x37 h GLU 5 Ca -0.47 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1x37 h GLU 5 Cb 1.19 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1x37 h GLU 5 CO 0.64 0.27 0.08 0.82 -1.18 0.00 0.00 179.01 179.64 1x37 h ILE 6 N 0.42 1.03 0.11 2.32 2.04 -1.99 -1.81 117.51 119.62 1x37 h ILE 6 Ca 0.63 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.45 1x37 h ILE 6 Cb 1.28 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1x37 h ILE 6 CO -0.54 0.03 -0.50 -0.33 0.00 0.00 0.00 178.15 176.81 1x37 h GLU 7 N 0.17 -0.70 -0.82 2.37 5.08 -1.09 0.19 114.58 119.78 1x37 h GLU 7 Ca 0.05 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1x37 h GLU 7 Cb -0.01 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 1x37 h GLU 7 CO -0.02 -0.46 0.35 0.87 -1.00 0.00 0.00 179.01 178.75 1x37 h LYS 8 N -0.72 0.45 -0.51 2.33 1.57 -1.33 0.45 116.57 118.80 1x37 h LYS 8 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1x37 h LYS 8 Cb 0.74 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1x37 h LYS 8 CO -0.28 0.29 0.19 1.25 -0.57 0.00 0.00 179.45 180.33 1x37 h LEU 9 N 0.46 0.72 0.55 2.94 6.46 -0.34 0.23 115.31 126.33 1x37 h LEU 9 Ca 0.47 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1x37 h LEU 9 Cb 0.77 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1x37 h LEU 9 CO -0.44 0.71 -0.39 -0.08 -0.62 0.00 0.00 178.44 177.61 1x37 h GLU 10 N 0.69 -0.88 0.40 1.25 4.57 0.15 -1.44 114.58 119.32 1x37 h GLU 10 Ca 0.17 0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1x37 h GLU 10 Cb 0.22 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1x37 h GLU 10 CO -0.01 -0.59 -0.19 -0.84 -1.18 0.00 0.00 179.01 176.20 1x37 h ILE 11 N -0.92 0.00 -1.07 2.32 3.07 -1.22 -0.23 117.51 119.46 1x37 h ILE 11 Ca -0.06 -0.24 0.42 0.00 1.55 0.00 0.00 64.86 66.52 1x37 h ILE 11 Cb 0.76 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 37.15 1x37 h ILE 11 CO 0.03 0.00 0.61 0.52 -1.05 0.00 0.00 178.15 178.26 1x37 n VAL 12 N -4.12 -0.36 -0.08 0.16 0.31 0.78 -0.10 118.33 114.92 1x37 n VAL 12 Ca -0.07 1.89 -0.15 0.00 -0.01 0.00 0.00 64.34 66.00 1x37 n VAL 12 Cb 0.21 -3.08 -0.12 0.00 -0.91 0.00 0.00 33.84 29.93 1x37 n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x37 h LYS 13 N 0.00 0.00 0.08 5.55 1.79 -1.23 -3.25 116.57 119.52 1x37 h LYS 13 Ca 0.83 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.29 1x37 h LYS 13 Cb 2.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.98 1x37 h LYS 13 CO -0.66 0.98 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.21 1x37 h ASP 14 N -1.00 -0.09 -1.04 0.86 3.32 0.10 -3.25 116.42 115.32 1x37 h ASP 14 Ca -0.06 0.00 0.42 0.00 0.02 0.00 0.00 57.03 57.41 1x37 h ASP 14 Cb 1.04 0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.44 1x37 h ASP 14 CO -0.04 -0.03 0.58 1.12 -1.72 0.00 0.00 179.24 179.15 1x37 h HIS 15 N -0.16 0.80 -1.10 4.55 2.07 -0.70 0.12 115.15 120.72 1x37 h HIS 15 Ca -0.01 0.04 0.44 0.00 -2.85 0.00 0.00 60.37 57.98 1x37 h HIS 15 Cb 0.08 -0.18 -0.17 0.00 2.57 0.00 0.00 27.41 29.71 1x37 h HIS 15 CO 0.11 -0.44 0.63 -0.11 -3.07 0.00 0.00 177.93 175.05 1x37 n LEU 16 N -5.19 0.31 0.06 6.12 -0.00 -1.23 -0.33 117.00 116.75 1x37 n LEU 16 Ca 0.38 1.59 -0.03 0.00 -0.00 0.00 0.00 56.01 57.95 1x37 n LEU 16 Cb 1.31 -0.78 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 1x37 n LEU 16 CO 0.03 -1.77 0.33 -0.07 -0.00 0.00 0.00 177.39 175.91 1x37 h LEU 17 N 0.00 -0.14 -0.26 -1.96 3.38 -0.93 -3.15 115.31 112.25 1x37 h LEU 17 Ca 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.83 1x37 h LEU 17 Cb 2.40 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.18 1x37 h LEU 17 CO -0.69 -0.07 0.14 1.55 0.09 0.00 0.00 178.44 179.46 1x37 h PRO 18 N -0.23 0.37 0.00 1.13 0.13 -1.56 -1.12 132.00 130.72 1x37 h PRO 18 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1x37 h PRO 18 Cb 0.13 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1x37 h PRO 18 CO 0.03 0.34 0.00 1.17 -0.23 0.00 0.00 178.00 179.31 1x37 n LYS 19 N -4.83 0.00 0.14 0.86 3.00 0.54 -0.45 118.16 117.43 1x37 n LYS 19 Ca -0.02 0.75 -0.13 0.00 -0.00 0.00 0.00 58.31 58.90 1x37 n LYS 19 Cb 0.09 -1.48 -0.07 0.00 0.00 0.00 0.00 35.03 33.57 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 -0.35 -1.07 1.64 7.50 -1.63 -2.28 115.11 118.92 1x37 h GLN 20 Ca 0.00 0.02 0.32 0.00 0.50 0.00 0.00 58.65 59.49 1x37 h GLN 20 Cb 0.00 0.08 -0.13 0.00 0.05 0.00 0.00 27.48 27.48 1x37 h GLN 20 CO 0.00 -0.23 0.65 0.82 -1.50 0.00 0.00 178.83 178.57 1x37 h ILE 21 N -0.36 0.36 0.00 2.54 1.08 -1.06 0.21 117.51 120.27 1x37 h ILE 21 Ca -0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1x37 h ILE 21 Cb 0.33 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1x37 h ILE 21 CO -0.02 0.06 0.00 1.17 -0.69 0.00 0.00 178.15 178.67 1x37 n LYS 22 N -4.85 0.00 -0.36 2.37 4.81 0.41 0.48 118.16 121.02 1x37 n LYS 22 Ca 0.30 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 58.06 1x37 n LYS 22 Cb 1.00 -0.72 0.58 0.00 0.02 0.00 0.00 35.03 35.91 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 0.10 0.21 1.64 4.22 -1.48 1.29 114.58 120.56 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 0.08 0.00 0.00 59.36 59.11 1x37 h GLU 23 Cb 0.00 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.25 1x37 h GLU 23 CO 0.00 0.06 -1.46 0.45 -2.18 0.00 0.00 179.01 175.88 1x37 h HIS 24 N 0.10 0.79 -1.27 0.92 -0.00 -0.65 -3.28 115.15 111.77 1x37 h HIS 24 Ca 0.82 -0.58 0.46 0.00 -0.00 0.00 0.00 60.37 61.07 1x37 h HIS 24 Cb 2.22 -0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 29.45 1x37 h HIS 24 CO -0.01 1.49 0.79 0.41 -0.00 0.00 0.00 177.93 180.61 1x37 n GLY 25 N 1.68 -0.81 0.29 2.45 0.00 1.76 -0.14 105.19 110.42 1x37 n GLY 25 Ca -0.16 0.76 0.28 0.00 0.00 0.00 0.00 46.02 46.91 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 -4.83 0.28 -4.94 0.99 4.77 -1.04 -4.24 117.00 108.00 1x37 n LEU 26 Ca 0.39 1.38 -0.19 0.00 -0.03 0.00 0.00 56.01 57.56 1x37 n LEU 26 Cb 1.48 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 1x37 n LEU 26 CO 0.14 -1.54 0.06 -0.54 -1.33 0.00 0.00 177.39 174.17 1x37 s LYS 27 N -5.25 2.72 0.74 3.23 -0.14 0.80 -5.06 119.74 116.78 1x37 s LYS 27 Ca -0.07 -1.35 -0.17 0.00 -1.36 0.00 0.00 55.97 53.02 1x37 s LYS 27 Cb 0.29 -2.58 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 1x37 s LYS 27 CO 0.67 -0.18 0.07 0.36 -0.76 0.00 0.00 175.35 175.50 1x37 n LYS 28 N -1.67 0.12 -1.52 1.68 2.85 -1.26 -4.43 118.16 113.93 1x37 n LYS 28 Ca 0.05 0.06 -0.25 0.00 -1.05 0.00 0.00 58.31 57.12 1x37 n LYS 28 Cb 0.60 -1.44 -0.16 0.00 -0.65 0.00 0.00 35.03 33.38 1x37 n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1x37 n SER 29 N 1.16 -0.06 -3.13 -5.58 3.41 -1.26 -4.74 113.62 103.42 1x37 n SER 29 Ca 0.07 -0.60 -0.32 0.00 -0.26 0.00 0.00 58.87 57.76 1x37 n SER 29 Cb 0.51 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 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 10.33 5.51 -3.62 4.04 5.15 -1.26 -3.69 115.26 131.72 1x37 n ASN 30 Ca 0.60 -3.70 -0.02 0.00 -0.60 0.00 0.00 54.58 50.87 1x37 n ASN 30 Cb 0.22 -0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 38.66 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x37 s LEU 31 N -3.77 -1.02 -0.45 1.20 2.96 -1.26 -4.32 118.68 112.01 1x37 s LEU 31 Ca 0.46 1.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1x37 s LEU 31 Cb 0.26 2.24 0.20 0.00 0.50 0.00 0.00 46.19 49.39 1x37 s LEU 31 CO -0.15 -0.21 0.55 1.67 -1.32 0.00 0.00 176.35 176.89 1x37 n GLN 32 N 5.09 0.44 -3.14 1.98 -0.06 0.31 -4.79 117.38 117.21 1x37 n GLN 32 Ca -0.14 -2.65 -0.19 0.00 -2.00 0.00 0.00 57.00 52.02 1x37 n GLN 32 Cb 0.52 -1.52 0.02 0.00 -4.06 0.00 0.00 30.24 25.20 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 0.06 3.40 0.00 1.69 2.34 -1.26 -1.72 118.68 123.18 1x37 s LEU 33 Ca 0.32 -0.64 0.00 0.00 0.06 0.00 0.00 54.13 53.87 1x37 s LEU 33 Cb 0.07 -2.18 0.00 0.00 -0.56 0.00 0.00 46.19 43.52 1x37 s LEU 33 CO -0.14 -0.95 0.01 0.54 -1.06 0.00 0.00 176.35 174.75 1x37 n ARG 34 N -1.93 1.68 -0.06 1.48 1.74 -1.26 -4.91 116.66 113.40 1x37 n ARG 34 Ca 0.09 -0.76 -0.11 0.00 -0.77 0.00 0.00 57.85 56.31 1x37 n ARG 34 Cb 0.60 0.19 -0.10 0.00 -1.02 0.00 0.00 32.46 32.13 1x37 n ARG 34 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1x37 h ASP 35 N 0.24 -0.00 -1.02 0.55 2.03 -2.00 -3.26 116.42 112.94 1x37 h ASP 35 Ca -0.09 -0.76 0.31 0.00 -0.73 0.00 0.00 57.03 55.76 1x37 h ASP 35 Cb 0.26 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.63 1x37 h ASP 35 CO 0.14 0.87 0.60 1.56 -1.03 0.00 0.00 179.24 181.38 1x37 h GLN 36 N -0.99 0.36 0.75 4.15 1.08 -1.99 -1.22 115.11 117.25 1x37 h GLN 36 Ca -0.00 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1x37 h GLN 36 Cb 0.76 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1x37 h GLN 36 CO 0.00 0.24 -0.36 0.00 -0.95 0.00 0.00 178.83 177.76 1x37 h ALA 37 N 1.79 -1.24 -1.03 3.87 0.00 -1.93 0.20 119.26 120.92 1x37 h ALA 37 Ca 0.71 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 55.69 1x37 h ALA 37 Cb 1.62 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 1x37 h ALA 37 CO -0.55 -1.17 0.61 0.82 0.00 0.00 0.00 179.25 178.96 1x37 h ILE 38 N -1.03 0.41 -0.18 0.00 2.04 -1.30 0.26 117.51 117.72 1x37 h ILE 38 Ca -0.10 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.41 1x37 h ILE 38 Cb 0.77 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1x37 h ILE 38 CO 0.17 0.08 -0.71 -0.07 0.00 0.00 0.00 178.15 177.62 1x37 h LEU 39 N 0.42 0.86 0.29 1.44 3.38 -1.03 -3.02 115.31 117.66 1x37 h LEU 39 Ca 0.69 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1x37 h LEU 39 Cb 1.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1x37 h LEU 39 CO -0.50 1.32 -0.14 -0.78 0.09 0.00 0.00 178.44 178.43 1x37 h ASP 40 N 0.52 -0.33 0.56 -0.43 1.82 0.27 0.19 116.42 119.03 1x37 h ASP 40 Ca -0.03 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1x37 h ASP 40 Cb 1.32 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.40 1x37 h ASP 40 CO 0.14 -0.12 -0.45 -0.29 -1.61 0.00 0.00 179.24 176.91 1x37 h ILE 41 N -0.52 0.00 -0.99 2.25 2.10 -1.38 0.20 117.51 119.16 1x37 h ILE 41 Ca -0.04 0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.97 1x37 h ILE 41 Cb 0.39 0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 36.05 1x37 h ILE 41 CO 0.06 0.00 0.64 -0.29 -1.08 0.00 0.00 178.15 177.49 1x37 h ILE 42 N -0.98 1.07 -0.73 2.19 2.10 -1.58 -0.46 117.51 119.12 1x37 h ILE 42 Ca -0.07 -0.39 -0.05 0.00 1.08 0.00 0.00 64.86 65.43 1x37 h ILE 42 Cb 0.82 -0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 36.34 1x37 h ILE 42 CO 0.01 0.21 0.26 -0.09 -1.08 0.00 0.00 178.15 177.46 1x37 h ARG 43 N 1.14 1.10 -0.17 2.19 2.43 -0.21 0.61 114.38 121.47 1x37 h ARG 43 Ca 0.44 -0.21 -0.21 0.00 -0.81 0.00 0.00 59.98 59.19 1x37 h ARG 43 Cb 0.21 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1x37 h ARG 43 CO -0.18 0.91 -0.73 1.88 -1.51 0.00 0.00 179.97 180.34 1x37 h TYR 44 N 1.06 0.99 0.00 2.20 -1.99 0.36 -3.39 116.97 116.21 1x37 h TYR 44 Ca 0.24 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.55 1x37 h TYR 44 Cb 0.25 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1x37 h TYR 44 CO 0.02 1.24 0.00 0.66 -0.00 0.00 0.00 178.16 180.08 1x37 n TYR 45 N -3.93 0.00 -0.71 4.88 4.01 -0.28 -4.21 117.16 116.93 1x37 n TYR 45 Ca -0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.65 1x37 n TYR 45 Cb 0.72 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 39.49 1x37 n TYR 45 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1x37 n THR 46 N -2.13 0.00 -3.17 -0.72 -1.04 0.21 -4.82 114.28 102.60 1x37 n THR 46 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 1x37 n THR 46 Cb 0.00 -0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 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 -1.49 3.11 -0.08 -2.82 1.70 -1.26 -4.97 118.95 113.14 1x37 s ARG 47 Ca 0.00 -1.55 -0.31 0.00 -0.47 0.00 0.00 55.73 53.40 1x37 s ARG 47 Cb 0.00 -4.32 0.11 0.00 -0.57 0.00 0.00 34.95 30.17 1x37 s ARG 47 CO 0.00 -1.48 1.37 -1.83 -1.08 0.00 0.00 175.30 172.29 1x37 s GLU 48 N 2.16 0.09 -0.36 3.89 1.03 -1.26 -5.05 118.70 119.21 1x37 s GLU 48 Ca 0.11 -0.06 0.14 0.00 0.03 0.00 0.00 54.97 55.19 1x37 s GLU 48 Cb -0.23 0.03 0.40 0.00 -0.80 0.00 0.00 34.13 33.52 1x37 s GLU 48 CO 0.03 -0.04 0.94 0.00 -1.33 0.00 0.00 175.26 174.86 1x37 n ALA 49 N -0.84 2.26 0.00 -0.84 0.00 -1.26 -5.10 120.51 114.74 1x37 n ALA 49 Ca 0.02 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1x37 n ALA 49 Cb 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.03 2.98 0.19 0.00 0.00 -1.26 -5.02 105.19 102.11 1x37 n GLY 50 Ca 0.13 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 3.51 1.33 -0.75 1.61 -1.51 -2.00 -3.17 116.25 115.27 1x37 h VAL 51 Ca 0.00 -1.95 0.14 0.00 -1.23 0.00 0.00 66.70 63.66 1x37 h VAL 51 Cb 0.00 2.18 -0.14 0.00 -2.13 0.00 0.00 31.29 31.20 1x37 h VAL 51 CO 0.00 0.60 -0.27 -0.09 -1.23 0.00 0.00 177.57 176.58 1x37 h ARG 52 N 0.28 -0.05 -0.39 5.19 2.43 -1.99 0.31 114.38 120.15 1x37 h ARG 52 Ca -0.05 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1x37 h ARG 52 Cb 1.32 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 1x37 h ARG 52 CO 0.14 -0.04 0.22 0.77 -1.51 0.00 0.00 179.97 179.55 1x37 h SER 53 N -0.06 0.36 -0.83 -3.80 0.02 -1.96 -1.28 113.55 106.01 1x37 h SER 53 Ca 0.32 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.42 1x37 h SER 53 Cb 0.57 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.95 1x37 h SER 53 CO -0.79 0.26 0.42 0.25 -1.14 0.00 0.00 176.83 175.82 1x37 h LEU 54 N 0.45 0.51 -0.85 5.07 6.46 -0.46 0.22 115.31 126.70 1x37 h LEU 54 Ca 0.16 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1x37 h LEU 54 Cb 0.02 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1x37 h LEU 54 CO -0.08 0.22 0.19 -0.33 -0.62 0.00 0.00 178.44 177.82 1x37 h GLU 55 N 0.61 1.04 -0.62 1.25 5.08 -0.05 -1.14 114.58 120.75 1x37 h GLU 55 Ca 0.45 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1x37 h GLU 55 Cb 0.61 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1x37 h GLU 55 CO -0.35 0.90 0.03 -0.09 -1.00 0.00 0.00 179.01 178.50 1x37 h ARG 56 N 0.99 1.06 -0.15 2.33 2.43 0.41 0.18 114.38 121.64 1x37 h ARG 56 Ca 0.21 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1x37 h ARG 56 Cb 0.31 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1x37 h ARG 56 CO -0.00 1.02 0.00 1.96 -1.51 0.00 0.00 179.97 181.43 1x37 h GLN 57 N 0.98 0.26 -0.53 0.20 7.50 -0.48 0.18 115.11 123.21 1x37 h GLN 57 Ca 0.18 -0.08 -0.05 0.00 0.50 0.00 0.00 58.65 59.20 1x37 h GLN 57 Cb 0.52 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 1x37 h GLN 57 CO 0.02 0.49 0.12 -0.07 -1.50 0.00 0.00 178.83 177.89 1x37 h LEU 58 N -0.00 0.81 -1.11 1.46 3.38 -1.10 -1.83 115.31 116.92 1x37 h LEU 58 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1x37 h LEU 58 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1x37 h LEU 58 CO 0.01 0.84 0.29 0.00 0.09 0.00 0.00 178.44 179.66 1x37 h ALA 59 N 1.00 1.31 0.27 1.53 0.00 -0.53 -1.94 119.26 120.90 1x37 h ALA 59 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x37 h ALA 59 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x37 h ALA 59 CO 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.65 1x37 h ALA 60 N 1.41 -0.37 -0.36 0.00 0.00 0.08 -1.15 119.26 118.87 1x37 h ALA 60 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x37 h ALA 60 Cb 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x37 h ALA 60 CO -0.03 -0.68 0.20 0.97 0.00 0.00 0.00 179.25 179.71 1x37 h ILE 61 N -0.41 1.14 0.07 0.00 2.10 -1.15 0.23 117.51 119.49 1x37 h ILE 61 Ca -0.04 -0.36 -0.00 0.00 1.08 0.00 0.00 64.86 65.54 1x37 h ILE 61 Cb 0.31 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1x37 h ILE 61 CO 0.06 0.14 -0.04 0.00 -1.08 0.00 0.00 178.15 177.23 1x37 h ARG 63 N -0.10 0.62 -1.03 0.00 -0.00 -1.26 0.52 114.38 113.13 1x37 h ARG 63 Ca -0.01 -0.04 0.31 0.00 -0.00 0.00 0.00 59.98 60.24 1x37 h ARG 63 Cb 0.08 -0.14 -0.14 0.00 -0.00 0.00 0.00 29.97 29.77 1x37 h ARG 63 CO 0.01 0.41 0.60 -0.22 -0.00 0.00 0.00 179.97 180.77 1x37 h LYS 64 N 0.64 0.36 -0.31 0.08 1.63 -0.37 2.47 116.57 121.07 1x37 h LYS 64 Ca 0.39 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 60.01 1x37 h LYS 64 Cb 0.45 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1x37 h LYS 64 CO -0.30 0.24 -0.45 0.00 -3.45 0.00 0.00 179.45 175.49 1x37 h ALA 65 N 1.79 0.62 -0.97 5.00 0.00 0.12 -2.89 119.26 122.94 1x37 h ALA 65 Ca 0.71 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1x37 h ALA 65 Cb 1.63 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1x37 h ALA 65 CO -0.55 0.67 0.63 0.00 0.00 0.00 0.00 179.25 180.01 1x37 h ALA 66 N 0.85 1.38 -0.75 0.00 0.00 0.53 -1.63 119.26 119.64 1x37 h ALA 66 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1x37 h ALA 66 Cb 1.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1x37 h ALA 66 CO 0.10 0.53 0.26 -0.22 0.00 0.00 0.00 179.25 179.91 1x37 h LYS 67 N 1.22 1.16 0.00 0.00 3.64 -0.52 -1.45 116.57 120.61 1x37 h LYS 67 Ca 0.38 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1x37 h LYS 67 Cb 0.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1x37 h LYS 67 CO -0.12 0.97 0.09 0.00 -2.27 0.00 0.00 179.45 178.12 1x37 n ALA 68 N -2.44 0.83 0.25 5.00 0.00 -0.61 -2.33 120.51 121.21 1x37 n ALA 68 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1x37 n ALA 68 Cb 0.22 -0.70 0.36 0.00 0.00 0.00 0.00 19.45 19.32 1x37 n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 69 N 0.00 0.00 0.00 0.00 1.08 -1.32 2.33 117.51 119.60 1x37 h ILE 69 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1x37 h ILE 69 Cb 0.18 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1x37 h ILE 69 CO 0.00 0.00 -0.11 0.55 -0.69 0.00 0.00 178.15 177.90 1x37 n VAL 70 N -2.35 0.50 -1.26 1.67 3.14 -0.98 -4.78 118.33 114.26 1x37 n VAL 70 Ca -0.01 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1x37 n VAL 70 Cb 0.56 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x37 n ALA 71 N -1.76 0.00 -2.35 1.55 0.00 0.78 -4.94 120.51 113.79 1x37 n ALA 71 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1x37 n ALA 71 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.89 4.49 -2.72 0.00 -0.58 -1.26 -4.58 120.64 115.10 1x37 n GLU 72 Ca 0.00 -3.86 -0.07 0.00 -0.42 0.00 0.00 57.16 52.80 1x37 n GLU 72 Cb 0.00 -2.66 0.07 0.00 -0.57 0.00 0.00 31.44 28.28 1x37 n GLU 72 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x37 n GLU 73 N 1.88 0.68 -2.70 3.49 2.13 -1.26 -5.15 120.64 119.70 1x37 n GLU 73 Ca 0.48 -1.52 -0.16 0.00 0.66 0.00 0.00 57.16 56.62 1x37 n GLU 73 Cb 0.29 -1.02 0.05 0.00 0.27 0.00 0.00 31.44 31.03 1x37 n GLU 73 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x37 n ARG 74 N 1.16 0.71 -1.84 5.31 1.74 -1.26 -4.79 116.66 117.69 1x37 n ARG 74 Ca 0.05 -2.53 -0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1x37 n ARG 74 Cb 0.67 -0.12 -0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1x37 n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x37 n LYS 75 N -1.94 -1.06 -2.93 5.56 4.81 -1.26 -4.77 118.16 116.57 1x37 n LYS 75 Ca 0.11 1.19 -0.02 0.00 -0.87 0.00 0.00 58.31 58.72 1x37 n LYS 75 Cb 0.48 -2.23 -0.02 0.00 0.02 0.00 0.00 35.03 33.29 1x37 n LYS 75 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x37 n ARG 76 N 0.26 -2.34 -2.61 1.64 1.74 -1.24 -4.81 116.66 109.30 1x37 n ARG 76 Ca -0.02 1.94 -0.42 0.00 -0.77 0.00 0.00 57.85 58.57 1x37 n ARG 76 Cb 0.04 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 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 -0.21 4.59 -0.18 0.55 1.01 -1.26 -4.82 121.20 120.89 1x37 s ILE 77 Ca -0.09 1.87 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 1x37 s ILE 77 Cb 0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1x37 s ILE 77 CO 0.25 0.04 0.34 -0.89 0.00 0.00 0.00 174.94 174.68 1x37 s THR 78 N 1.77 5.25 0.33 2.92 2.01 -1.26 -0.53 115.64 126.13 1x37 s THR 78 Ca 0.52 0.62 0.04 0.00 0.31 0.00 0.00 61.69 63.18 1x37 s THR 78 Cb -0.22 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1x37 s THR 78 CO 0.22 0.32 0.49 -0.69 -0.69 0.00 0.00 174.62 174.26 1x37 s VAL 79 N 0.92 4.58 -0.11 3.82 1.01 -0.70 -4.97 120.40 124.94 1x37 s VAL 79 Ca 0.17 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1x37 s VAL 79 Cb -0.14 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1x37 s VAL 79 CO 0.06 -0.30 0.90 -0.89 0.00 0.00 0.00 175.10 174.86 1x37 s THR 80 N -2.21 0.00 0.33 3.92 2.01 -1.26 -4.45 115.64 113.98 1x37 s THR 80 Ca 0.41 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.52 1x37 s THR 80 Cb -0.09 -1.00 0.34 0.00 0.01 0.00 0.00 72.50 71.76 1x37 s THR 80 CO 0.32 0.00 1.63 1.05 -0.69 0.00 0.00 174.62 176.93 1x37 h GLU 81 N 2.63 0.17 0.00 4.92 4.11 -1.91 1.09 114.58 125.59 1x37 h GLU 81 Ca -0.21 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.05 1x37 h GLU 81 Cb 1.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1x37 h GLU 81 CO 0.33 0.11 -0.74 -0.22 0.07 0.00 0.00 179.01 178.57 1x37 h LYS 82 N 0.18 0.00 -0.57 1.06 3.64 -2.00 -3.24 116.57 115.64 1x37 h LYS 82 Ca 0.69 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.98 1x37 h LYS 82 Cb 1.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 1x37 h LYS 82 CO -0.70 0.74 0.02 -0.97 -2.27 0.00 0.00 179.45 176.27 1x37 h ASN 83 N 0.00 0.93 -0.88 4.20 -0.00 0.80 -2.90 115.58 117.73 1x37 h ASN 83 Ca -0.01 -0.24 0.23 0.00 -0.00 0.00 0.00 56.30 56.28 1x37 h ASN 83 Cb 1.52 -0.25 -0.15 0.00 -0.00 0.00 0.00 38.32 39.44 1x37 h ASN 83 CO 0.10 0.98 0.15 -0.07 -0.00 0.00 0.00 177.43 178.59 1x37 h LEU 84 N 0.89 -0.16 -1.04 0.34 3.38 -1.16 1.00 115.31 118.57 1x37 h LEU 84 Ca 0.17 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1x37 h LEU 84 Cb 0.50 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1x37 h LEU 84 CO 0.02 -0.21 0.63 -0.61 0.09 0.00 0.00 178.44 178.36 1x37 h GLN 85 N 0.14 1.02 -0.51 1.13 4.15 -1.69 0.21 115.11 119.56 1x37 h GLN 85 Ca 0.54 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.80 1x37 h GLN 85 Cb 1.09 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 1x37 h GLN 85 CO -0.72 0.67 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.32 1x37 h ASP 86 N 1.05 0.93 0.14 -0.69 5.19 0.92 0.81 116.42 124.77 1x37 h ASP 86 Ca 0.46 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1x37 h ASP 86 Cb 0.36 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1x37 h ASP 86 CO -0.22 1.05 -0.07 -0.26 -3.12 0.00 0.00 179.24 176.62 1x37 h PHE 87 N 0.84 -0.17 0.00 4.55 0.04 -0.29 -3.40 116.94 118.52 1x37 h PHE 87 Ca 0.14 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1x37 h PHE 87 Cb 0.64 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1x37 h PHE 87 CO 0.04 -0.11 -0.00 0.82 -0.60 0.00 0.00 178.31 178.46 1x37 h ILE 88 N -0.82 1.44 -5.80 -0.55 2.04 -0.74 -3.48 117.51 109.60 1x37 h ILE 88 Ca -0.02 -2.06 -0.36 0.00 1.00 0.00 0.00 64.86 63.42 1x37 h ILE 88 Cb 0.14 2.72 0.13 0.00 -0.74 0.00 0.00 36.82 39.07 1x37 h ILE 88 CO 0.03 0.49 -0.79 0.61 0.00 0.00 0.00 178.15 178.49 1x37 n GLY 89 N 1.61 -0.34 3.15 5.37 0.00 0.28 -4.97 105.19 110.28 1x37 n GLY 89 Ca -0.08 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.59 0.20 0.28 1.61 2.47 -1.26 -5.06 119.74 112.38 1x37 s LYS 90 Ca 0.02 0.34 0.08 0.00 -1.56 0.00 0.00 55.97 54.85 1x37 s LYS 90 Cb -0.01 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1x37 s LYS 90 CO 0.76 -0.22 0.10 -0.98 0.16 0.00 0.00 175.35 175.17 1x37 s ARG 91 N 2.95 2.53 0.07 4.03 1.70 -1.26 -5.05 118.95 123.92 1x37 s ARG 91 Ca 0.00 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.95 1x37 s ARG 91 Cb -0.10 -2.31 0.00 0.00 -0.57 0.00 0.00 34.95 31.97 1x37 s ARG 91 CO -0.12 0.32 0.00 -0.89 -1.08 0.00 0.00 175.30 173.53 1x37 n ILE 92 N -1.06 0.50 -2.06 4.99 5.41 -1.26 -4.94 119.36 120.95 1x37 n ILE 92 Ca -0.06 0.17 -0.37 0.00 1.00 0.00 0.00 62.75 63.49 1x37 n ILE 92 Cb 0.59 -1.36 -0.03 0.00 -0.71 0.00 0.00 39.64 38.13 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 -2.00 1.70 -1.29 1.39 0.40 -1.26 -4.87 117.98 112.05 1x37 s PHE 93 Ca 0.00 0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 56.97 1x37 s PHE 93 Cb 0.00 -4.10 0.16 0.00 0.51 0.00 0.00 43.02 39.59 1x37 s PHE 93 CO 0.00 -2.21 1.95 2.89 0.70 0.00 0.00 175.22 178.55 1x37 n ARG 94 N 9.14 3.71 -0.43 0.44 -4.01 -1.26 -5.04 116.66 119.20 1x37 n ARG 94 Ca 0.23 -3.49 0.00 0.00 -1.04 0.00 0.00 57.85 53.56 1x37 n ARG 94 Cb 0.51 -2.90 0.00 0.00 -3.04 0.00 0.00 32.46 27.03 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57